A0A087X7Y3_POEFO Loading...

Mannosyltransferase

Alpha-1,2-mannosyltransferase that catalyzes the transfer of the third mannose, via an alpha-1,2 bond, from a dolichol-phosphate-mannose (Dol-P-Man) to an alpha-D-Man-(1->6)-2-PEtn-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-2-acyl-inositol intermediate to generate an alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-2-PEtn-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-2-acyl-inositol (also termed H6) and participates in the nineth step of the glycosylphosphatidylinositol-anchor biosynthesis. May also add the third mannose to an alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-2-acyl-inositol (also termed H3) intermediate generating an alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-alpha-D-Man-(1->4)-alpha-D-GlcN-(1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-2-acyl-inositol (also termed H4).

AlphaFold DB , UniProt , Accession A0A087X7Y3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 448 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
1M78.8Confident87.7Confident116 Ų11669.1 Ų69.157%0.57134%0.337SS*.  0-59.60-162.7179.1-67.700112.7F19 L23 A26 F183M1-F19 HydrophobicContact CE-CB 4.48Å; M1-F19 HydrophobicContact CE-CD1 3.31Å; M1-F19 HydrophobicContact CE-CE1 3.84Å; M1-F19 HydrophobicContact CE-CG 4.24Å; M1-L23 HydrophobicContact CE-CD2 4.21Å; M1-L23 HydrophobicContact CE-CG 4.45Å; M1-L23 HydrophobicContact SD-CD2 3.77Å; M1-L23 HydrophobicContact SD-CG 4.48Å; M1-A26 HydrophobicContact CG-CB 4.24Å; M1-A26 HydrophobicContact SD-CB 3.24Å; M1-A26 WeakPolarHBondContact SD-CB 3.49Å; M1-F183 HydrophobicContact CE-CD1 3.77Å; M1-F183 HydrophobicContact CE-CD2 4.41Å; M1-F183 HydrophobicContact CE-CE1 3.57Å; M1-F183 HydrophobicContact CE-CE2 4.26Å; M1-F183 HydrophobicContact CE-CG 4.21Å; M1-F183 HydrophobicContact CE-CZ 3.84Å; M1-F183 HydrophobicContact CG-CE1 3.76Å; M1-F183 HydrophobicContact CG-CZ 4.37Å; M1-F183 HydrophobicContact SD-CE1 3.94Å; M1-F183 HydrophobicContact SD-CZ 4.06Å
2V88.6Confident88Confident21 Ų2167.3 Ų67.313%0.12732%0.324CS..  trans-99.5-56.1-175.3-175.40000112.9A26 K30 H33V2-A26 HydrophobicContact CG2-CB 3.97Å; V2-A26 WeakPolarHBondContact CG2-O 3.17Å; V2-K30 HydrophobicContact CG1-CB 4.45Å; V2-K30 HydrophobicContact CG1-CD 4.26Å; V2-H33 HydrophobicContact CG1-CB 4.27Å
3F88.2Confident88Confident41 Ų4172.5 Ų72.518%0.1834%0.344CS..SBendtrans-99.70.9-166.8-53.8-71.3000115.6Y5 Y29 H33 D38 L43 H355F3-Y5 HydrophobicContact CB-CD1 4Å; F3-Y5 HydrophobicContact CB-CE1 3.58Å; F3-Y5 WeakPolarHBondContact O-CD1 3.32Å; F3-Y5 PolarHBondContact O-N 2.67Å; F3-Y29 HydrophobicContact CE2-CG 4.42Å; F3-H33 AromaticContact CD1-ND1 3.96Å; F3-H33 HydrophobicContact CE1-CB 3.82Å; F3-H33 AromaticContact CE1-ND1 3.89Å; F3-D38 HydrophobicContact CE1-CB 3.97Å; F3-D38 WeakPolarHBondContact CE1-OD2 3.36Å; F3-D38 HydrophobicContact CZ-CB 4.19Å; F3-L43 HydrophobicContact CE2-CD1 4.38Å; F3-L43 HydrophobicContact CE2-CD2 4.19Å; F3-L43 HydrophobicContact CZ-CD1 4.26Å; F3-L43 HydrophobicContact CZ-CD2 3.87Å; F3-H355 AromaticContact CD1-CE1 3.65Å; F3-H355 AromaticContact CD2-CE1 3.71Å; F3-H355 AromaticContact CE1-CE1 3.63Å; F3-H355 AromaticContact CE2-CE1 3.72Å; F3-H355 AromaticContact CG-CE1 3.69Å; F3-H355 AromaticContact CZ-CE1 3.68Å
4K86.2Confident88Confident211 Ų21169.1 Ų69.192%0.91733%0.334SS*.SBendtrans61.35.4179.8-55.6-176178.9-178.30116.9
5Y87.1Confident88.1Confident85 Ų8564.5 Ų64.533%0.33331%0.313SS..  trans-125.9170.1164.563.1-90.3000110.6F3 Y351 H355F3-Y5 HydrophobicContact CB-CD1 4Å; F3-Y5 HydrophobicContact CB-CE1 3.58Å; F3-Y5 WeakPolarHBondContact O-CD1 3.32Å; F3-Y5 PolarHBondContact O-N 2.67Å; Y5-Y351 HydrophobicContact CD2-CD1 4.02Å; Y5-Y351 HydrophobicContact CD2-CE1 4.4Å; Y5-Y351 HydrophobicContact CE2-CD1 4.3Å; Y5-H355 AromaticContact CZ-ND1 3.86Å; Y5-H355 PolarHBondContact OH-CE1 3.27Å; Y5-H355 PolarHBondContact OH-ND1 3.49Å; Y5-H355 PolarHBondContact OH-O 2.96Å
6G88.1Confident88.2Confident43 Ų4360.9 Ų60.944%0.44330%0.295SS..SBendtrans137.7-167.3179.800000111.5
7Y89.6Confident88.3Confident79 Ų7962.6 Ų62.631%0.3130%0.298SS..  trans-126.5132.4178.3177.5-106.3000110.2T9 F350 I362 E364Y7-T9 HydrophobicContact CD1-CG2 4.11Å; Y7-T9 HydrophobicContact CE1-CG2 3.83Å; Y7-F350 HydrophobicContact CD1-CD1 4.5Å; Y7-F350 HydrophobicContact CD1-CE1 4.49Å; Y7-F350 HydrophobicContact CD2-CE1 4.43Å; Y7-F350 HydrophobicContact CG-CD1 4.26Å; Y7-F350 AromaticContact CG-CE1 3.95Å; Y7-F350 HydrophobicContact CG-CE1 3.95Å; Y7-I362 HydrophobicContact CE1-CD1 3.89Å; Y7-E364 PolarHBondContact OH-OE1 3.45Å; Y7-E364 VanDerWaalsContact OH-OE1 3.1Å
8L89.4Confident88.5Confident91 Ų9160.3 Ų60.348%0.47629%0.293SS..  trans-110.5113.6-179.6-166.172.8000108.7W12 K13L8-W12 HydrophobicContact CD1-CB 3.42Å; L8-W12 VanDerWaalsContact CD1-CB 3.42Å; L8-W12 HydrophobicContact CD1-CD2 4.1Å; L8-W12 HydrophobicContact CD1-CG 3.46Å; L8-W12 VanDerWaalsContact CD1-CG 3.46Å; L8-W12 HydrophobicContact CD2-CB 3.92Å; L8-W12 HydrophobicContact CG-CB 3.53Å; L8-W12 HydrophobicContact CG-CG 4.06Å; L8-K13 HydrophobicContact CD2-CG 4.38Å
9T90.3Very high88.8Confident23 Ų2358.4 Ų58.414%0.14128%0.283CS..  trans-70.1164.3-179.269.20000111.6Y7 E11 W12 K13Y7-T9 HydrophobicContact CD1-CG2 4.11Å; Y7-T9 HydrophobicContact CE1-CG2 3.83Å; T9-E11 WeakPolarHBondContact CB-OE2 3.24Å; T9-E11 PolarHBondContact O-N 3.34Å; T9-E11 PolarHBondContact OG1-OE2 3.49Å; T9-W12 PolarHBondContact O-N 2.97Å; T9-W12 VanDerWaalsContact OG1-CD1 3.28Å; T9-K13 PolarHBondContact O-N 3.34Å
10W88.5Confident88.9Confident27 Ų2756.9 Ų56.910%0.10228%0.278CS..Hα-helixtrans-57.3-31.8-179.173.5-92.5000112.5W12 K13 A14 I16 V203 Y207 P366 P367 L369W10-W12 PolarHBondContact O-N 2.88Å; W10-K13 WeakPolarHBondContact O-CB 3.14Å; W10-K13 PolarHBondContact O-N 3.37Å; W10-A14 HydrophobicContact CE3-CB 4.09Å; W10-A14 HydrophobicContact CZ3-CB 4.18Å; W10-A14 WeakPolarHBondContact O-CB 3.27Å; W10-A14 PolarHBondContact O-N 2.91Å; W10-I16 HydrophobicContact CH2-CD1 3.46Å; W10-I16 VanDerWaalsContact CH2-CD1 3.46Å; W10-I16 HydrophobicContact CZ2-CD1 4.32Å; W10-I16 HydrophobicContact CZ3-CD1 3.71Å; W10-V203 HydrophobicContact CH2-CG1 3.8Å; W10-V203 HydrophobicContact CZ2-CG1 4.2Å; W10-Y207 HydrophobicContact CZ2-CE2 4.32Å; W10-Y207 VanDerWaalsContact CZ2-OH 3.25Å; W10-Y207 WeakPolarHBondContact CZ2-OH 3.04Å; W10-Y207 PolarHBondContact NE1-OH 2.96Å; W10-P366 HydrophobicContact CB-CB 4.14Å; W10-P366 HydrophobicContact CG-CB 4.18Å; W10-P367 VanDerWaalsContact CD2-CD 3.42Å; W10-P367 HydrophobicContact CD2-CG 3.99Å; W10-P367 HydrophobicContact CE3-CG 3.98Å; W10-P367 HydrophobicContact CH2-CG 3.46Å; W10-P367 VanDerWaalsContact CH2-CG 3.46Å; W10-P367 VanDerWaalsContact CZ2-CD 3.47Å; W10-P367 HydrophobicContact CZ2-CG 3.43Å; W10-P367 VanDerWaalsContact CZ2-CG 3.43Å; W10-P367 HydrophobicContact CZ3-CG 3.74Å; W10-L369 HydrophobicContact CE3-CD1 4.28Å; W10-L369 HydrophobicContact CZ3-CD2 4.25Å
11E90Very high89.1Confident23 Ų2355.4 Ų55.411%0.10727%0.27CS..Hα-helixtrans-62.5-34-178.2-62.4107.8115.700113.1T9 G15 I16 R17T9-E11 WeakPolarHBondContact CB-OE2 3.24Å; T9-E11 PolarHBondContact O-N 3.34Å; T9-E11 PolarHBondContact OG1-OE2 3.49Å; E11-G15 PolarHBondContact O-N 3.24Å; E11-I16 HydrophobicContact CB-CD1 3.84Å; E11-I16 HydrophobicContact CB-CG1 3.56Å; E11-I16 HydrophobicContact CG-CD1 3.72Å; E11-I16 HydrophobicContact CG-CG1 4.05Å; E11-I16 VanDerWaalsContact O-CG1 3.3Å; E11-I16 WeakPolarHBondContact O-CG1 3.41Å; E11-I16 PolarHBondContact O-N 3.07Å; E11-R17 HydrophobicContact CB-CG 3.64Å; E11-R17 IonicContact OE1-CZ 3.98Å; E11-R17 IonicContact OE1-NE 2.68Å; E11-R17 IonicContact OE1-NH2 3.35Å; E11-R17 PolarHBondContact OE1-NH2 3.21Å
12W90.8Very high89.9Confident48 Ų4852 Ų5218%0.18226%0.257CS..Hα-helixtrans-73.4-43.2174.6-65.997000110.2L8 T9 W10 A14 G15 R17 F19 P22 Y184L8-W12 HydrophobicContact CD1-CB 3.42Å; L8-W12 VanDerWaalsContact CD1-CB 3.42Å; L8-W12 HydrophobicContact CD1-CD2 4.1Å; L8-W12 HydrophobicContact CD1-CG 3.46Å; L8-W12 VanDerWaalsContact CD1-CG 3.46Å; L8-W12 HydrophobicContact CD2-CB 3.92Å; L8-W12 HydrophobicContact CG-CB 3.53Å; L8-W12 HydrophobicContact CG-CG 4.06Å; T9-W12 PolarHBondContact O-N 2.97Å; T9-W12 VanDerWaalsContact OG1-CD1 3.28Å; W10-W12 PolarHBondContact O-N 2.88Å; W12-A14 PolarHBondContact O-N 2.92Å; W12-G15 PolarHBondContact O-N 3Å; W12-R17 HydrophobicContact CD2-CB 3.89Å; W12-R17 HydrophobicContact CD2-CG 4.41Å; W12-R17 HydrophobicContact CE3-CB 3.9Å; W12-R17 HydrophobicContact CH2-CB 3.78Å; W12-R17 HydrophobicContact CZ2-CB 3.82Å; W12-R17 HydrophobicContact CZ2-CG 4.4Å; W12-R17 HydrophobicContact CZ3-CB 3.83Å; W12-F19 HydrophobicContact CE3-CD1 4.3Å; W12-F19 AromaticContact CE3-CE1 3.64Å; W12-F19 HydrophobicContact CE3-CE1 3.64Å; W12-F19 AromaticContact CE3-CE2 3.97Å; W12-F19 HydrophobicContact CE3-CE2 3.97Å; W12-F19 AromaticContact CE3-CZ 3.46Å; W12-F19 HydrophobicContact CE3-CZ 3.46Å; W12-F19 VanDerWaalsContact CE3-CZ 3.46Å; W12-F19 HydrophobicContact CH2-CD1 4.06Å; W12-F19 HydrophobicContact CH2-CE1 4.12Å; W12-F19 AromaticContact CZ3-CD1 3.48Å; W12-F19 HydrophobicContact CZ3-CD1 3.48Å; W12-F19 VanDerWaalsContact CZ3-CD1 3.48Å; W12-F19 AromaticContact CZ3-CD2 3.96Å; W12-F19 HydrophobicContact CZ3-CD2 3.96Å; W12-F19 AromaticContact CZ3-CE1 3.28Å; W12-F19 HydrophobicContact CZ3-CE1 3.28Å; W12-F19 AromaticContact CZ3-CE2 3.78Å; W12-F19 HydrophobicContact CZ3-CE2 3.78Å; W12-F19 AromaticContact CZ3-CG 3.85Å; W12-F19 HydrophobicContact CZ3-CG 3.85Å; W12-F19 AromaticContact CZ3-CZ 3.45Å; W12-F19 HydrophobicContact CZ3-CZ 3.45Å; W12-F19 VanDerWaalsContact CZ3-CZ 3.45Å; W12-P22 HydrophobicContact CH2-CG 3.93Å; W12-P22 HydrophobicContact CZ2-CG 4.31Å; W12-Y184 WeakPolarHBondContact O-CE1 3.13Å
13K88.9Confident90.1Very high134 Ų13453.3 Ų53.358%0.58326%0.263SS*.Hα-helixtrans-58.1-39.7175.8-60.3178.6-174.9172.30111.5L8 T9 W10 G15L8-K13 HydrophobicContact CD2-CG 4.38Å; T9-K13 PolarHBondContact O-N 3.34Å; W10-K13 WeakPolarHBondContact O-CB 3.14Å; W10-K13 PolarHBondContact O-N 3.37Å; K13-G15 VanDerWaalsContact C-N 3.29Å; K13-G15 PolarHBondContact O-N 3.39Å
14A87.4Confident90.4Very high25 Ų2555.1 Ų55.121%0.20727%0.271CS..THydrogen-bonded Turntrans-76.7-8.9176.500000114.3W10 W12 I16 L369W10-A14 HydrophobicContact CE3-CB 4.09Å; W10-A14 HydrophobicContact CZ3-CB 4.18Å; W10-A14 WeakPolarHBondContact O-CB 3.27Å; W10-A14 PolarHBondContact O-N 2.91Å; W12-A14 PolarHBondContact O-N 2.92Å; A14-I16 HydrophobicContact CB-CG2 4.17Å; A14-L369 HydrophobicContact CB-CD1 4.44Å
15G90.2Very high90.8Very high1 Ų145.9 Ų45.91%0.0123%0.231CC..THydrogen-bonded Turntrans68.933.4178.800000114.2E11 W12 K13 N193E11-G15 PolarHBondContact O-N 3.24Å; W12-G15 PolarHBondContact O-N 3Å; K13-G15 VanDerWaalsContact C-N 3.29Å; K13-G15 PolarHBondContact O-N 3.39Å; G15-N193 WeakPolarHBondContact O-CB 3.46Å; G15-N193 PolarHBondContact O-ND2 2.9Å
16I89.4Confident91.1Very high6 Ų642.4 Ų42.43%0.03122%0.219CC..  trans-101.2-4.2179.971.2166.6000113.5W10 E11 A14 N193 F197W10-I16 HydrophobicContact CH2-CD1 3.46Å; W10-I16 VanDerWaalsContact CH2-CD1 3.46Å; W10-I16 HydrophobicContact CZ2-CD1 4.32Å; W10-I16 HydrophobicContact CZ3-CD1 3.71Å; E11-I16 HydrophobicContact CB-CD1 3.84Å; E11-I16 HydrophobicContact CB-CG1 3.56Å; E11-I16 HydrophobicContact CG-CD1 3.72Å; E11-I16 HydrophobicContact CG-CG1 4.05Å; E11-I16 VanDerWaalsContact O-CG1 3.3Å; E11-I16 WeakPolarHBondContact O-CG1 3.41Å; E11-I16 PolarHBondContact O-N 3.07Å; A14-I16 HydrophobicContact CB-CG2 4.17Å; I16-N193 HydrophobicContact CG2-CB 4.22Å; I16-F197 HydrophobicContact CG2-CB 4.06Å; I16-F197 HydrophobicContact CG2-CD2 3.34Å; I16-F197 HydrophobicContact CG2-CE2 3.91Å; I16-F197 HydrophobicContact CG2-CG 3.8Å
17R90.4Very high91.5Very high91 Ų9146.7 Ų46.734%0.34323%0.226SC..SBendtrans-111.7138.5174.5-59.3-64.1-171.9-176.5-0.6110.6E11 W12 Y184 V190E11-R17 HydrophobicContact CB-CG 3.64Å; E11-R17 IonicContact OE1-CZ 3.98Å; E11-R17 IonicContact OE1-NE 2.68Å; E11-R17 IonicContact OE1-NH2 3.35Å; E11-R17 PolarHBondContact OE1-NH2 3.21Å; W12-R17 HydrophobicContact CD2-CB 3.89Å; W12-R17 HydrophobicContact CD2-CG 4.41Å; W12-R17 HydrophobicContact CE3-CB 3.9Å; W12-R17 HydrophobicContact CH2-CB 3.78Å; W12-R17 HydrophobicContact CZ2-CB 3.82Å; W12-R17 HydrophobicContact CZ2-CG 4.4Å; W12-R17 HydrophobicContact CZ3-CB 3.83Å; R17-Y184 PolarHBondContact O-OH 2.9Å; R17-V190 VanDerWaalsContact C-CG1 3.46Å
18G91.9Very high91.7Very high21 Ų2144.5 Ų44.522%0.21622%0.219CC..  trans-95.4149.3-179.700000111.5P22 D180G18-P22 WeakPolarHBondContact O-CD 3.12Å; G18-D180 WeakPolarHBondContact CA-OD1 2.94Å
19F93.1Very high92Very high23 Ų2342.7 Ų42.710%0.10121%0.207CC..SBendtrans-85.7-12.2-179.4-71.3-82.3000113.9M1 W12 F21 P22 L23 I179 D180 F183 Y184M1-F19 HydrophobicContact CE-CB 4.48Å; M1-F19 HydrophobicContact CE-CD1 3.31Å; M1-F19 HydrophobicContact CE-CE1 3.84Å; M1-F19 HydrophobicContact CE-CG 4.24Å; W12-F19 HydrophobicContact CE3-CD1 4.3Å; W12-F19 AromaticContact CE3-CE1 3.64Å; W12-F19 HydrophobicContact CE3-CE1 3.64Å; W12-F19 AromaticContact CE3-CE2 3.97Å; W12-F19 HydrophobicContact CE3-CE2 3.97Å; W12-F19 AromaticContact CE3-CZ 3.46Å; W12-F19 HydrophobicContact CE3-CZ 3.46Å; W12-F19 VanDerWaalsContact CE3-CZ 3.46Å; W12-F19 HydrophobicContact CH2-CD1 4.06Å; W12-F19 HydrophobicContact CH2-CE1 4.12Å; W12-F19 AromaticContact CZ3-CD1 3.48Å; W12-F19 HydrophobicContact CZ3-CD1 3.48Å; W12-F19 VanDerWaalsContact CZ3-CD1 3.48Å; W12-F19 AromaticContact CZ3-CD2 3.96Å; W12-F19 HydrophobicContact CZ3-CD2 3.96Å; W12-F19 AromaticContact CZ3-CE1 3.28Å; W12-F19 HydrophobicContact CZ3-CE1 3.28Å; W12-F19 AromaticContact CZ3-CE2 3.78Å; W12-F19 HydrophobicContact CZ3-CE2 3.78Å; W12-F19 AromaticContact CZ3-CG 3.85Å; W12-F19 HydrophobicContact CZ3-CG 3.85Å; W12-F19 AromaticContact CZ3-CZ 3.45Å; W12-F19 HydrophobicContact CZ3-CZ 3.45Å; W12-F19 VanDerWaalsContact CZ3-CZ 3.45Å; F19-F21 PolarHBondContact O-N 3.01Å; F19-P22 WeakPolarHBondContact O-CD 3.29Å; F19-L23 HydrophobicContact CB-CD1 4.47Å; F19-L23 HydrophobicContact CB-CG 4.44Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.34Å; F19-L23 VanDerWaalsContact O-CG 3.24Å; F19-L23 WeakPolarHBondContact O-CG 3.24Å; F19-L23 PolarHBondContact O-N 3.4Å; F19-I179 HydrophobicContact CB-CG2 3.76Å; F19-D180 PolarHBondContact N-OD1 3.04Å; F19-F183 HydrophobicContact CB-CD2 3.85Å; F19-F183 HydrophobicContact CB-CE2 4.49Å; F19-F183 HydrophobicContact CB-CG 4.36Å; F19-F183 HydrophobicContact CD1-CB 4.1Å; F19-F183 HydrophobicContact CD1-CD2 4.37Å; F19-F183 HydrophobicContact CD1-CG 4.07Å; F19-F183 HydrophobicContact CD2-CB 3.42Å; F19-F183 VanDerWaalsContact CD2-CB 3.42Å; F19-F183 HydrophobicContact CD2-CD2 4.23Å; F19-F183 HydrophobicContact CD2-CG 4.06Å; F19-F183 HydrophobicContact CE1-CB 4.03Å; F19-F183 HydrophobicContact CE1-CG 4.32Å; F19-F183 HydrophobicContact CE2-CB 3.33Å; F19-F183 HydrophobicContact CE2-CG 4.3Å; F19-F183 HydrophobicContact CG-CB 3.78Å; F19-F183 AromaticContact CG-CD2 3.9Å; F19-F183 HydrophobicContact CG-CD2 3.9Å; F19-F183 AromaticContact CG-CG 3.9Å; F19-F183 HydrophobicContact CG-CG 3.9Å; F19-F183 HydrophobicContact CZ-CB 3.65Å; F19-F183 HydrophobicContact CZ-CG 4.42Å; F19-Y184 HydrophobicContact CD2-CD2 4.21Å; F19-Y184 AromaticContact CD2-CE2 3.87Å; F19-Y184 HydrophobicContact CD2-CE2 3.87Å; F19-Y184 HydrophobicContact CE2-CD1 4.07Å; F19-Y184 AromaticContact CE2-CD2 3.72Å; F19-Y184 HydrophobicContact CE2-CD2 3.72Å; F19-Y184 AromaticContact CE2-CE1 3.74Å; F19-Y184 HydrophobicContact CE2-CE1 3.74Å; F19-Y184 AromaticContact CE2-CE2 3.41Å; F19-Y184 HydrophobicContact CE2-CE2 3.41Å; F19-Y184 VanDerWaalsContact CE2-CE2 3.41Å; F19-Y184 HydrophobicContact CE2-CG 4.05Å; F19-Y184 AromaticContact CE2-CZ 3.43Å; F19-Y184 VanDerWaalsContact CE2-CZ 3.43Å; F19-Y184 HydrophobicContact CZ-CE1 4.14Å; F19-Y184 HydrophobicContact CZ-CE2 4.49Å
20T92.1Very high92.3Very high29 Ų2946 Ų4618%0.17822%0.219CC..Hα-helixtrans-51.7-47.9-176.6-55.80000113.7L131T20-L131 HydrophobicContact CG2-CD1 4.49Å
21F92.9Very high92.6Very high25 Ų2548 Ų4811%0.1123%0.231CC..Hα-helixtrans-78.3-46-179.9-175.2-122.6000112.8F19 L23 F24 F25 T97 A100 V135F19-F21 PolarHBondContact O-N 3.01Å; F21-L23 PolarHBondContact O-N 2.87Å; F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.47Å; F21-F24 VanDerWaalsContact O-N 3.16Å; F21-F25 HydrophobicContact CD1-CE2 4.21Å; F21-F25 HydrophobicContact CD2-CE2 4.45Å; F21-F25 AromaticContact CE1-CE2 3.69Å; F21-F25 HydrophobicContact CE1-CE2 3.69Å; F21-F25 HydrophobicContact CE1-CZ 4.29Å; F21-F25 AromaticContact CE2-CE2 3.94Å; F21-F25 HydrophobicContact CE2-CE2 3.94Å; F21-F25 HydrophobicContact CE2-CZ 4.09Å; F21-F25 AromaticContact CZ-CE2 3.53Å; F21-F25 HydrophobicContact CZ-CE2 3.53Å; F21-F25 AromaticContact CZ-CZ 3.72Å; F21-F25 HydrophobicContact CZ-CZ 3.72Å; F21-T97 HydrophobicContact CD1-CG2 3.9Å; F21-T97 HydrophobicContact CE1-CG2 4.35Å; F21-A100 HydrophobicContact CD2-CB 4.15Å; F21-A100 HydrophobicContact CE1-CB 4.31Å; F21-A100 HydrophobicContact CE2-CB 3.54Å; F21-A100 HydrophobicContact CZ-CB 3.62Å; F21-V135 HydrophobicContact CB-CG1 3.96Å; F21-V135 HydrophobicContact CB-CG2 4.12Å; F21-V135 HydrophobicContact CD1-CG1 4.37Å; F21-V135 HydrophobicContact CD2-CG1 4.39Å; F21-V135 HydrophobicContact CG-CG1 4.01Å
22P93.9Very high92.9Very high45 Ų4547.6 Ų47.629%0.29223%0.23SC..Hα-helixtrans-61.1-28.1175.5-3142.2000114.6W12 G18 F19 F24 F25 A26W12-P22 HydrophobicContact CH2-CG 3.93Å; W12-P22 HydrophobicContact CZ2-CG 4.31Å; G18-P22 WeakPolarHBondContact O-CD 3.12Å; F19-P22 WeakPolarHBondContact O-CD 3.29Å; P22-F24 PolarHBondContact O-N 3.05Å; P22-F25 PolarHBondContact O-N 3.21Å; P22-F25 VanDerWaalsContact O-N 3.14Å; P22-A26 WeakPolarHBondContact O-CB 3.37Å; P22-A26 PolarHBondContact O-N 3.34Å
23L94.1Very high93Very high48 Ų4848.5 Ų48.525%0.25124%0.236SC..Hα-helixtrans-57.8-36.1175-90.2173.2000113.2M1 F19 F21 F25 A26 F27 I179 F183M1-L23 HydrophobicContact CE-CD2 4.21Å; M1-L23 HydrophobicContact CE-CG 4.45Å; M1-L23 HydrophobicContact SD-CD2 3.77Å; M1-L23 HydrophobicContact SD-CG 4.48Å; F19-L23 HydrophobicContact CB-CD1 4.47Å; F19-L23 HydrophobicContact CB-CG 4.44Å; F19-L23 VanDerWaalsContact O-CB 3.25Å; F19-L23 WeakPolarHBondContact O-CB 3.34Å; F19-L23 VanDerWaalsContact O-CG 3.24Å; F19-L23 WeakPolarHBondContact O-CG 3.24Å; F19-L23 PolarHBondContact O-N 3.4Å; F21-L23 PolarHBondContact O-N 2.87Å; L23-F25 VanDerWaalsContact C-N 3.3Å; L23-F25 PolarHBondContact O-N 3.14Å; L23-A26 PolarHBondContact O-N 3.1Å; L23-F27 WeakPolarHBondContact O-CB 3.17Å; L23-F27 PolarHBondContact O-N 2.94Å; L23-I179 HydrophobicContact CD1-CD1 4.2Å; L23-I179 HydrophobicContact CD1-CG1 4.28Å; L23-I179 HydrophobicContact CD1-CG2 3.5Å; L23-F183 HydrophobicContact CD1-CE2 3.92Å; L23-F183 HydrophobicContact CD2-CE2 3.7Å; L23-F183 HydrophobicContact CD2-CZ 3.63Å; L23-F183 HydrophobicContact CG-CE2 4.07Å; L23-F183 HydrophobicContact CG-CZ 4.45Å
24F93.8Very high93.3Very high80 Ų8047.9 Ų47.935%0.35124%0.238SC..Hα-helixtrans-57.3-45.1175.9174.1-109.9000111.3F21 P22 L28 A50 L54F21-F24 WeakPolarHBondContact O-CB 3.39Å; F21-F24 PolarHBondContact O-N 3.47Å; F21-F24 VanDerWaalsContact O-N 3.16Å; P22-F24 PolarHBondContact O-N 3.05Å; F24-L28 HydrophobicContact CE1-CD1 4.5Å; F24-A50 HydrophobicContact CE1-CB 4.01Å; F24-A50 HydrophobicContact CZ-CB 4.11Å; F24-L54 HydrophobicContact CE1-CD1 3.94Å; F24-L54 HydrophobicContact CZ-CD1 3.91Å
25F94.6Very high93.7Very high17 Ų1752.5 Ų52.58%0.07526%0.259CS..Hα-helixtrans-76.9-36.3177.3-56-63.2000112.5F21 P22 L23 F27 L28 Y29 P47 T95F21-F25 HydrophobicContact CD1-CE2 4.21Å; F21-F25 HydrophobicContact CD2-CE2 4.45Å; F21-F25 AromaticContact CE1-CE2 3.69Å; F21-F25 HydrophobicContact CE1-CE2 3.69Å; F21-F25 HydrophobicContact CE1-CZ 4.29Å; F21-F25 AromaticContact CE2-CE2 3.94Å; F21-F25 HydrophobicContact CE2-CE2 3.94Å; F21-F25 HydrophobicContact CE2-CZ 4.09Å; F21-F25 AromaticContact CZ-CE2 3.53Å; F21-F25 HydrophobicContact CZ-CE2 3.53Å; F21-F25 AromaticContact CZ-CZ 3.72Å; F21-F25 HydrophobicContact CZ-CZ 3.72Å; P22-F25 PolarHBondContact O-N 3.21Å; P22-F25 VanDerWaalsContact O-N 3.14Å; L23-F25 VanDerWaalsContact C-N 3.3Å; L23-F25 PolarHBondContact O-N 3.14Å; F25-F27 PolarHBondContact O-N 3.35Å; F25-L28 HydrophobicContact CD1-CD1 4.44Å; F25-L28 WeakPolarHBondContact O-CB 3.22Å; F25-L28 PolarHBondContact O-N 3.46Å; F25-L28 VanDerWaalsContact O-N 3.11Å; F25-Y29 HydrophobicContact CB-CE2 4.32Å; F25-Y29 WeakPolarHBondContact O-CD2 3.26Å; F25-Y29 VanDerWaalsContact O-CG 3.28Å; F25-Y29 PolarHBondContact O-N 3.13Å; F25-P47 HydrophobicContact CD1-CB 3.56Å; F25-P47 HydrophobicContact CD1-CG 4.36Å; F25-P47 HydrophobicContact CE1-CB 3.82Å; F25-P47 HydrophobicContact CG-CB 4.31Å; F25-T95 HydrophobicContact CD1-CG2 4.4Å; F25-T95 HydrophobicContact CE1-CG2 3.65Å; F25-T95 HydrophobicContact CE2-CG2 4.08Å; F25-T95 HydrophobicContact CZ-CG2 3.47Å; F25-T95 VanDerWaalsContact CZ-CG2 3.47Å
26A94.6Very high93.8Very high12 Ų1258.9 Ų58.910%0.09929%0.292CS..Hα-helixtrans-61.5-34.8176.700000112.3M1 V2 P22 L23 Y29 K30M1-A26 HydrophobicContact CG-CB 4.24Å; M1-A26 HydrophobicContact SD-CB 3.24Å; M1-A26 WeakPolarHBondContact SD-CB 3.49Å; V2-A26 HydrophobicContact CG2-CB 3.97Å; V2-A26 WeakPolarHBondContact CG2-O 3.17Å; P22-A26 WeakPolarHBondContact O-CB 3.37Å; P22-A26 PolarHBondContact O-N 3.34Å; L23-A26 PolarHBondContact O-N 3.1Å; A26-Y29 PolarHBondContact O-N 3.18Å; A26-K30 WeakPolarHBondContact O-CB 3.21Å; A26-K30 PolarHBondContact O-N 3.37Å
27F95.1Very high93.9Very high133 Ų13365.5 Ų65.558%0.58332%0.318SS*.Hα-helixtrans-60.5-47.7172175.2-104.6000111.7L23 F25 Y29 K30 I31L23-F27 WeakPolarHBondContact O-CB 3.17Å; L23-F27 PolarHBondContact O-N 2.94Å; F25-F27 PolarHBondContact O-N 3.35Å; F27-Y29 VanDerWaalsContact C-N 3.35Å; F27-Y29 PolarHBondContact O-N 3.23Å; F27-K30 PolarHBondContact O-N 2.9Å; F27-I31 HydrophobicContact CD1-CD1 4.04Å; F27-I31 HydrophobicContact CE1-CD1 3.51Å; F27-I31 HydrophobicContact CE2-CD1 4.31Å; F27-I31 HydrophobicContact CZ-CD1 3.67Å; F27-I31 HydrophobicContact CZ-CG1 4.43Å; F27-I31 WeakPolarHBondContact O-CG1 3.29Å; F27-I31 PolarHBondContact O-N 3.33Å; F27-I31 VanDerWaalsContact O-N 3.08Å
28L95.2Very high93.9Very high32 Ų3263 Ų6317%0.16831%0.312CS..Hα-helixtrans-60.5-44.4176.3-60.8175.5000111.6F24 F25 K30 I31 L32 L46 A50F24-L28 HydrophobicContact CE1-CD1 4.5Å; F25-L28 HydrophobicContact CD1-CD1 4.44Å; F25-L28 WeakPolarHBondContact O-CB 3.22Å; F25-L28 PolarHBondContact O-N 3.46Å; F25-L28 VanDerWaalsContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.38Å; L28-I31 PolarHBondContact O-N 2.98Å; L28-L32 PolarHBondContact O-N 3.38Å; L28-L32 VanDerWaalsContact O-N 3.13Å; L28-L46 HydrophobicContact CB-CD2 3.96Å; L28-L46 HydrophobicContact CD1-CG 4.35Å; L28-A50 HydrophobicContact CD1-CB 3.83Å
29Y95.4Very high93.9Very high53 Ų5365 Ų6521%0.20832%0.32CS..Hα-helixtrans-64.5-36.5176.4-63.2-23.9000112.8F3 F25 A26 F27 I31 L32 H33 L43 P47F3-Y29 HydrophobicContact CE2-CG 4.42Å; F25-Y29 HydrophobicContact CB-CE2 4.32Å; F25-Y29 WeakPolarHBondContact O-CD2 3.26Å; F25-Y29 VanDerWaalsContact O-CG 3.28Å; F25-Y29 PolarHBondContact O-N 3.13Å; A26-Y29 PolarHBondContact O-N 3.18Å; F27-Y29 VanDerWaalsContact C-N 3.35Å; F27-Y29 PolarHBondContact O-N 3.23Å; Y29-I31 VanDerWaalsContact C-N 3.32Å; Y29-I31 PolarHBondContact O-N 3.48Å; Y29-L32 PolarHBondContact O-N 3.46Å; Y29-H33 WeakPolarHBondContact O-CB 3.38Å; Y29-H33 PolarHBondContact O-N 3.32Å; Y29-L43 HydrophobicContact CD1-CD2 3.34Å; Y29-L43 HydrophobicContact CE1-CB 4.23Å; Y29-L43 HydrophobicContact CE1-CD2 3.66Å; Y29-L43 WeakPolarHBondContact CE1-O 3.43Å; Y29-L43 HydrophobicContact CG-CD2 3.95Å; Y29-L43 PolarHBondContact OH-O 2.92Å; Y29-P47 HydrophobicContact CE1-CG 3.5Å; Y29-P47 VanDerWaalsContact CE1-CG 3.5Å; Y29-P47 WeakPolarHBondContact OH-CG 3.32Å
30K95.4Very high93.9Very high93 Ų9365 Ų6540%0.40432%0.322SS..Hα-helixtrans-65.7-37.6176.8-172.561.7175.1179.20111.3V2 A26 F27 L28 H33 L34V2-K30 HydrophobicContact CG1-CB 4.45Å; V2-K30 HydrophobicContact CG1-CD 4.26Å; A26-K30 WeakPolarHBondContact O-CB 3.21Å; A26-K30 PolarHBondContact O-N 3.37Å; F27-K30 PolarHBondContact O-N 2.9Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.38Å; K30-H33 PolarHBondContact O-N 2.83Å; K30-L34 HydrophobicContact CG-CD1 4.3Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.37Å; K30-L34 PolarHBondContact O-N 3.31Å
31I95.4Very high94Very high68 Ų6869.8 Ų69.835%0.34934%0.342SS..Hα-helixtrans-61-50.7172.9-66.8167.2000110.3F27 L28 Y29 H33 L34 L35F27-I31 HydrophobicContact CD1-CD1 4.04Å; F27-I31 HydrophobicContact CE1-CD1 3.51Å; F27-I31 HydrophobicContact CE2-CD1 4.31Å; F27-I31 HydrophobicContact CZ-CD1 3.67Å; F27-I31 HydrophobicContact CZ-CG1 4.43Å; F27-I31 WeakPolarHBondContact O-CG1 3.29Å; F27-I31 PolarHBondContact O-N 3.33Å; F27-I31 VanDerWaalsContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 2.98Å; Y29-I31 VanDerWaalsContact C-N 3.32Å; Y29-I31 PolarHBondContact O-N 3.48Å; I31-H33 VanDerWaalsContact C-N 3.28Å; I31-H33 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 2.94Å; I31-L34 VanDerWaalsContact O-N 3.17Å; I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 3.49Å
32L95.3Very high94.1Very high16 Ų1671 Ų718%0.08435%0.349CS..Hα-helixtrans-57.3-43.3178.5-69178.4000112L28 Y29 L35 N36 Y37 D38 L42 L43 L46L28-L32 PolarHBondContact O-N 3.38Å; L28-L32 VanDerWaalsContact O-N 3.13Å; Y29-L32 PolarHBondContact O-N 3.46Å; L32-L35 CarbonylContact O-C 3.56Å; L32-L35 PolarHBondContact O-N 3.49Å; L32-N36 PolarHBondContact O-N 3.45Å; L32-N36 VanDerWaalsContact O-N 3.13Å; L32-Y37 PolarHBondContact O-N 2.86Å; L32-D38 HydrophobicContact CB-CB 4.15Å; L32-L42 HydrophobicContact CD1-CB 3.94Å; L32-L42 HydrophobicContact CD2-CD1 4.33Å; L32-L43 HydrophobicContact CD1-CD2 3.87Å; L32-L46 HydrophobicContact CD1-CD2 3.72Å; L32-L46 HydrophobicContact CD2-CD2 4.33Å; L32-L46 HydrophobicContact CG-CD2 4.05Å
33H93.4Very high94Very high66 Ų6669.2 Ų69.231%0.30634%0.337SS..Hα-helixtrans-62.9-42.7177.4-176.960.6000112.6V2 F3 Y29 K30 I31 L35 N36 D38V2-H33 HydrophobicContact CG1-CB 4.27Å; F3-H33 AromaticContact CD1-ND1 3.96Å; F3-H33 HydrophobicContact CE1-CB 3.82Å; F3-H33 AromaticContact CE1-ND1 3.89Å; Y29-H33 WeakPolarHBondContact O-CB 3.38Å; Y29-H33 PolarHBondContact O-N 3.32Å; K30-H33 PolarHBondContact O-N 2.83Å; I31-H33 VanDerWaalsContact C-N 3.28Å; I31-H33 PolarHBondContact O-N 3.31Å; H33-L35 VanDerWaalsContact C-N 3.25Å; H33-L35 PolarHBondContact O-N 2.94Å; H33-N36 PolarHBondContact O-N 3.39Å; H33-N36 VanDerWaalsContact O-N 3.12Å; H33-D38 IonicContact ND1-OD2 2.69Å
34L94.9Very high94Very high121 Ų12168.1 Ų68.163%0.63433%0.331SS*.Hα-helixtrans-66.5-28.6177.4-71.1171.8000112.7K30 I31 N36K30-L34 HydrophobicContact CG-CD1 4.3Å; K30-L34 VanDerWaalsContact O-CG 3.24Å; K30-L34 WeakPolarHBondContact O-CG 3.37Å; K30-L34 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 2.94Å; I31-L34 VanDerWaalsContact O-N 3.17Å; L34-N36 VanDerWaalsContact C-N 3.31Å
35L95.7Very high94.1Very high123 Ų12371.2 Ų71.264%0.64434%0.34SS*.THydrogen-bonded Turntrans-85.8-1.5175.4-63.3176.2000113.1I31 L32 H33 Y37I31-L35 HydrophobicContact CG2-CD1 3.87Å; I31-L35 HydrophobicContact CG2-CG 4.44Å; I31-L35 WeakPolarHBondContact O-CG 3.29Å; I31-L35 PolarHBondContact O-N 3.49Å; L32-L35 CarbonylContact O-C 3.56Å; L32-L35 PolarHBondContact O-N 3.49Å; H33-L35 VanDerWaalsContact C-N 3.25Å; H33-L35 PolarHBondContact O-N 2.94Å; L35-Y37 PolarHBondContact O-N 2.91Å
36N92.6Very high94.1Very high134 Ų13472.9 Ų72.972%0.71735%0.35SS*.THydrogen-bonded Turntrans51.439.1-170.5-58-59.5000112.8L32 H33 L34L32-N36 PolarHBondContact O-N 3.45Å; L32-N36 VanDerWaalsContact O-N 3.13Å; H33-N36 PolarHBondContact O-N 3.39Å; H33-N36 VanDerWaalsContact O-N 3.12Å; L34-N36 VanDerWaalsContact C-N 3.31Å
37Y92.8Very high94.2Very high146 Ų14672.5 Ų72.557%0.57335%0.347SS*.  trans-12429.1-178.2-151.9-118.4000111.6L32 L35 T39 L42L32-Y37 PolarHBondContact O-N 2.86Å; L35-Y37 PolarHBondContact O-N 2.91Å; Y37-T39 PolarHBondContact O-N 3.19Å; Y37-L42 HydrophobicContact CD1-CD1 3.17Å; Y37-L42 HydrophobicContact CE1-CD1 3.24Å; Y37-L42 HydrophobicContact CG-CD1 4.11Å; Y37-L42 VanDerWaalsContact O-CD1 3.24Å; Y37-L42 WeakPolarHBondContact O-CD1 3.42Å
38D89.8Confident94.2Very high39 Ų3969.5 Ų69.521%0.20933%0.331CS..  trans-8252.7179.959.4-49.5000112.7F3 L32 H33 L43 H355F3-D38 HydrophobicContact CE1-CB 3.97Å; F3-D38 WeakPolarHBondContact CE1-OD2 3.36Å; F3-D38 HydrophobicContact CZ-CB 4.19Å; L32-D38 HydrophobicContact CB-CB 4.15Å; H33-D38 IonicContact ND1-OD2 2.69Å; D38-L43 HydrophobicContact CB-CD1 4.43Å; D38-L43 HydrophobicContact CB-CD2 4.43Å; D38-H355 PolarHBondContact O-CD2 2.96Å; D38-H355 PolarHBondContact O-NE2 2.91Å; D38-H355 IonicContact OD2-CE1 3.02Å; D38-H355 IonicContact OD2-NE2 2.66Å; D38-H355 PolarHBondContact OD2-NE2 3.48Å
39T92.3Very high94.3Very high62 Ų6271.6 Ų71.638%0.3835%0.345SS..  trans-66.6148.5173.166.80000111.3Y37 H41 L42 L43Y37-T39 PolarHBondContact O-N 3.19Å; T39-H41 PolarHBondContact O-N 2.75Å; T39-L42 PolarHBondContact O-N 3.03Å; T39-L42 WeakPolarHBondContact OG1-CD1 3.35Å; T39-L42 WeakPolarHBondContact OG1-CG 3.25Å; T39-L42 PolarHBondContact OG1-N 3.39Å; T39-L43 WeakPolarHBondContact O-CG 3.24Å; T39-L43 PolarHBondContact O-N 2.95Å
40V92.2Very high94.3Very high24 Ų2469.8 Ų69.815%0.14534%0.341CS..Hα-helixtrans-51.9-43.8178.5-177.70000111.1L42 L43 I44 H355V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.45Å; V40-L43 PolarHBondContact O-N 3.11Å; V40-I44 HydrophobicContact CG1-CD1 3.68Å; V40-I44 HydrophobicContact CG1-CG1 4.32Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 3.09Å; V40-H355 HydrophobicContact CG2-CB 3.77Å
41H93.6Very high94.4Very high128 Ų12865.4 Ų65.459%0.59332%0.322SS*.Hα-helixtrans-57.1-45.2178.7-74-61.6000112.6T39 I44 W45T39-H41 PolarHBondContact O-N 2.75Å; H41-I44 PolarHBondContact O-N 3.34Å; H41-W45 WeakPolarHBondContact O-CB 3.24Å; H41-W45 VanDerWaalsContact O-CD1 3.24Å; H41-W45 PolarHBondContact O-N 2.98Å
42L95Very high94.4Very high52 Ų5263.6 Ų63.627%0.27232%0.318SS..Hα-helixtrans-70.4-36.6179.3-69.9168.3000111.9L32 Y37 T39 V40 I44 W45 L46L32-L42 HydrophobicContact CD1-CB 3.94Å; L32-L42 HydrophobicContact CD2-CD1 4.33Å; Y37-L42 HydrophobicContact CD1-CD1 3.17Å; Y37-L42 HydrophobicContact CE1-CD1 3.24Å; Y37-L42 HydrophobicContact CG-CD1 4.11Å; Y37-L42 VanDerWaalsContact O-CD1 3.24Å; Y37-L42 WeakPolarHBondContact O-CD1 3.42Å; T39-L42 PolarHBondContact O-N 3.03Å; T39-L42 WeakPolarHBondContact OG1-CD1 3.35Å; T39-L42 WeakPolarHBondContact OG1-CG 3.25Å; T39-L42 PolarHBondContact OG1-N 3.39Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.45Å; L42-I44 VanDerWaalsContact C-N 3.26Å; L42-I44 PolarHBondContact O-N 3.24Å; L42-W45 PolarHBondContact O-N 3.14Å; L42-L46 WeakPolarHBondContact O-CB 3.49Å; L42-L46 PolarHBondContact O-N 2.68Å
43L93.4Very high94.5Very high7 Ų768.5 Ų68.54%0.03734%0.343CS..Hα-helixtrans-66.6-29.5177.7-63.2174.7000112.9F3 Y29 L32 D38 T39 V40 P47 H355F3-L43 HydrophobicContact CE2-CD1 4.38Å; F3-L43 HydrophobicContact CE2-CD2 4.19Å; F3-L43 HydrophobicContact CZ-CD1 4.26Å; F3-L43 HydrophobicContact CZ-CD2 3.87Å; Y29-L43 HydrophobicContact CD1-CD2 3.34Å; Y29-L43 HydrophobicContact CE1-CB 4.23Å; Y29-L43 HydrophobicContact CE1-CD2 3.66Å; Y29-L43 WeakPolarHBondContact CE1-O 3.43Å; Y29-L43 HydrophobicContact CG-CD2 3.95Å; Y29-L43 PolarHBondContact OH-O 2.92Å; L32-L43 HydrophobicContact CD1-CD2 3.87Å; D38-L43 HydrophobicContact CB-CD1 4.43Å; D38-L43 HydrophobicContact CB-CD2 4.43Å; T39-L43 WeakPolarHBondContact O-CG 3.24Å; T39-L43 PolarHBondContact O-N 2.95Å; V40-L43 PolarHBondContact O-N 3.11Å; L43-P47 VanDerWaalsContact O-CD 3.24Å; L43-P47 WeakPolarHBondContact O-CD 3.37Å; L43-P47 VanDerWaalsContact O-CG 3.27Å; L43-P47 WeakPolarHBondContact O-CG 3.44Å; L43-H355 HydrophobicContact CD1-CB 3.95Å; L43-H355 WeakPolarHBondContact CD1-CD2 3.11Å; L43-H355 WeakPolarHBondContact CD1-CE1 3.39Å; L43-H355 WeakPolarHBondContact CD1-ND1 3.37Å; L43-H355 WeakPolarHBondContact CD1-NE2 3.49Å
44I93.6Very high94.7Very high24 Ų2468.5 Ų68.512%0.12335%0.345CS..Hα-helixtrans-77.9-50.3173.2-65.2168000111.2V40 H41 L42 R48 H353V40-I44 HydrophobicContact CG1-CD1 3.68Å; V40-I44 HydrophobicContact CG1-CG1 4.32Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 3.09Å; H41-I44 PolarHBondContact O-N 3.34Å; L42-I44 VanDerWaalsContact C-N 3.26Å; L42-I44 PolarHBondContact O-N 3.24Å; I44-R48 WeakPolarHBondContact O-CG 3.29Å; I44-H353 HydrophobicContact CD1-CB 4.14Å; I44-H353 VanDerWaalsContact CD1-CD2 3.48Å; I44-H353 WeakPolarHBondContact CD1-CD2 3.26Å
45W95.3Very high94.8Very high145 Ų14563 Ų6355%0.54932%0.317SS..Hα-helixtrans-85-37-168.6-76.4108000114.2H41 L42 R48 V49H41-W45 WeakPolarHBondContact O-CB 3.24Å; H41-W45 VanDerWaalsContact O-CD1 3.24Å; H41-W45 PolarHBondContact O-N 2.98Å; L42-W45 PolarHBondContact O-N 3.14Å; W45-R48 WeakPolarHBondContact O-CB 3.46Å; W45-R48 PolarHBondContact O-N 2.97Å; W45-R48 VanDerWaalsContact O-N 3.08Å; W45-V49 WeakPolarHBondContact O-CG2 3.5Å; W45-V49 PolarHBondContact O-N 2.92Å
46L95.9Very high94.9Very high53 Ų5359.4 Ų59.428%0.27731%0.305SS..Hα-helixtrans-58.9-45.9-176.3-179.363.4000113.1L28 L32 L42 R48 V49 A50L28-L46 HydrophobicContact CB-CD2 3.96Å; L28-L46 HydrophobicContact CD1-CG 4.35Å; L32-L46 HydrophobicContact CD1-CD2 3.72Å; L32-L46 HydrophobicContact CD2-CD2 4.33Å; L32-L46 HydrophobicContact CG-CD2 4.05Å; L42-L46 WeakPolarHBondContact O-CB 3.49Å; L42-L46 PolarHBondContact O-N 2.68Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 3.45Å; L46-V49 PolarHBondContact O-N 3Å; L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 2.95Å
47P95.4Very high95.1Very high4 Ų457.9 Ų57.93%0.02629%0.292CS..Hα-helixtrans-59.6-39174.1-22.131.9000113.2F25 Y29 L43 A50 Q51 T95F25-P47 HydrophobicContact CD1-CB 3.56Å; F25-P47 HydrophobicContact CD1-CG 4.36Å; F25-P47 HydrophobicContact CE1-CB 3.82Å; F25-P47 HydrophobicContact CG-CB 4.31Å; Y29-P47 HydrophobicContact CE1-CG 3.5Å; Y29-P47 VanDerWaalsContact CE1-CG 3.5Å; Y29-P47 WeakPolarHBondContact OH-CG 3.32Å; L43-P47 VanDerWaalsContact O-CD 3.24Å; L43-P47 WeakPolarHBondContact O-CD 3.37Å; L43-P47 VanDerWaalsContact O-CG 3.27Å; L43-P47 WeakPolarHBondContact O-CG 3.44Å; P47-A50 PolarHBondContact O-N 3.02Å; P47-Q51 WeakPolarHBondContact O-CB 3.25Å; P47-Q51 PolarHBondContact O-N 3.42Å; P47-T95 HydrophobicContact CB-CG2 3.6Å
48R95.4Very high95.4Very high70 Ų7051 Ų5126%0.26427%0.265SS..Hα-helixtrans-67.1-43.1179.7-65-179.6-179-162.51.9111.3I44 W45 L46 Q51 A52 T93I44-R48 WeakPolarHBondContact O-CG 3.29Å; W45-R48 WeakPolarHBondContact O-CB 3.46Å; W45-R48 PolarHBondContact O-N 2.97Å; W45-R48 VanDerWaalsContact O-N 3.08Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 3.45Å; R48-Q51 PolarHBondContact O-N 3.06Å; R48-A52 VanDerWaalsContact O-CB 3.28Å; R48-A52 WeakPolarHBondContact O-CB 3.47Å; R48-A52 PolarHBondContact O-N 3.08Å; R48-T93 WeakPolarHBondContact CA-O 3.25Å; R48-T93 WeakPolarHBondContact CB-O 3.38Å
49V97.1Very high95.7Very high75 Ų7550.5 Ų50.546%0.45526%0.263SS..Hα-helixtrans-64.5-45.8175.31730000110.6W45 L46 Q51 A52 L53W45-V49 WeakPolarHBondContact O-CG2 3.5Å; W45-V49 PolarHBondContact O-N 2.92Å; L46-V49 PolarHBondContact O-N 3Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.45Å; V49-A52 WeakPolarHBondContact O-CB 3.23Å; V49-A52 PolarHBondContact O-N 3.45Å; V49-L53 HydrophobicContact CG1-CD1 4.14Å; V49-L53 HydrophobicContact CG1-CG 4.4Å; V49-L53 WeakPolarHBondContact O-CG 3.31Å; V49-L53 PolarHBondContact O-N 3.32Å
50A96.6Very high96Very high15 Ų1551.1 Ų51.112%0.12427%0.266CS..Hα-helixtrans-58.8-44.9176.700000111.7F24 L28 L46 P47 L53 L54F24-A50 HydrophobicContact CE1-CB 4.01Å; F24-A50 HydrophobicContact CZ-CB 4.11Å; L28-A50 HydrophobicContact CD1-CB 3.83Å; L46-A50 WeakPolarHBondContact O-CB 3.35Å; L46-A50 PolarHBondContact O-N 2.95Å; P47-A50 PolarHBondContact O-N 3.02Å; A50-L53 PolarHBondContact O-N 3.46Å; A50-L54 WeakPolarHBondContact O-CG 3.42Å; A50-L54 PolarHBondContact O-N 3.05Å; A50-L54 VanDerWaalsContact O-N 3.09Å
51Q96.4Very high96.2Very high1 Ų152.2 Ų52.21%0.00527%0.269CS..Hα-helixtrans-64-41.1175.6-174.561.343.500112P47 R48 V49 L53 L54 A55 C92 T95 T99P47-Q51 WeakPolarHBondContact O-CB 3.25Å; P47-Q51 PolarHBondContact O-N 3.42Å; R48-Q51 PolarHBondContact O-N 3.06Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.45Å; Q51-L53 PolarHBondContact O-N 3.22Å; Q51-L54 PolarHBondContact O-N 2.86Å; Q51-A55 WeakPolarHBondContact O-CB 3.37Å; Q51-A55 PolarHBondContact O-N 2.79Å; Q51-C92 WeakPolarHBondContact CG-O 3.07Å; Q51-T95 HydrophobicContact CB-CG2 4.43Å; Q51-T99 HydrophobicContact CG-CG2 4.05Å
52A96.4Very high96.3Very high31 Ų3146.1 Ų46.126%0.25624%0.241SC..Hα-helixtrans-63.5-39.417700000112.2R48 V49 A55 A56 T93R48-A52 VanDerWaalsContact O-CB 3.28Å; R48-A52 WeakPolarHBondContact O-CB 3.47Å; R48-A52 PolarHBondContact O-N 3.08Å; V49-A52 WeakPolarHBondContact O-CB 3.23Å; V49-A52 PolarHBondContact O-N 3.45Å; A52-A55 PolarHBondContact O-N 3.5Å; A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 2.9Å; A52-T93 HydrophobicContact CB-CG2 4.02Å
53L97.4Very high96.4Very high118 Ų11846 Ų4662%0.61824%0.237SC*.Hα-helixtrans-65.6-39.9175.2-70.2172.7000111.8V49 A50 Q51 A56 F57V49-L53 HydrophobicContact CG1-CD1 4.14Å; V49-L53 HydrophobicContact CG1-CG 4.4Å; V49-L53 WeakPolarHBondContact O-CG 3.31Å; V49-L53 PolarHBondContact O-N 3.32Å; A50-L53 PolarHBondContact O-N 3.46Å; Q51-L53 PolarHBondContact O-N 3.22Å; L53-A56 PolarHBondContact O-N 2.9Å; L53-F57 WeakPolarHBondContact O-CB 3.29Å; L53-F57 PolarHBondContact O-N 3.4Å
54L96.8Very high96.6Very high67 Ų6748.5 Ų48.535%0.35125%0.25SS..Hα-helixtrans-63.9-43.7173.7-70.4175.1000111.6F24 A50 Q51 F57 A58 T103F24-L54 HydrophobicContact CE1-CD1 3.94Å; F24-L54 HydrophobicContact CZ-CD1 3.91Å; A50-L54 WeakPolarHBondContact O-CG 3.42Å; A50-L54 PolarHBondContact O-N 3.05Å; A50-L54 VanDerWaalsContact O-N 3.09Å; Q51-L54 PolarHBondContact O-N 2.86Å; L54-F57 PolarHBondContact O-N 2.86Å; L54-A58 PolarHBondContact O-N 3.36Å; L54-T103 HydrophobicContact CB-CG2 4.21Å; L54-T103 WeakPolarHBondContact O-CG2 3.16Å
55A97.1Very high96.7Very high5 Ų547.4 Ų47.44%0.04125%0.245CC..Hα-helixtrans-61.3-47.9174.700000111.3Q51 A52 F57 A58 D59 C92Q51-A55 WeakPolarHBondContact O-CB 3.37Å; Q51-A55 PolarHBondContact O-N 2.79Å; A52-A55 PolarHBondContact O-N 3.5Å; A55-F57 VanDerWaalsContact C-N 3.31Å; A55-F57 PolarHBondContact O-N 3.21Å; A55-A58 CarbonylContact O-C 3.27Å; A55-A58 WeakPolarHBondContact O-CA 3.27Å; A55-A58 WeakPolarHBondContact O-CB 3.32Å; A55-A58 PolarHBondContact O-N 3.45Å; A55-D59 PolarHBondContact O-N 2.82Å; A55-C92 HydrophobicContact CB-CB 4.14Å
56A97.6Very high96.7Very high47 Ų4740.5 Ų40.539%0.38822%0.219SC..Hα-helixtrans-59.7-39.8177.200000112.4A52 L53 D59 V60A52-A56 WeakPolarHBondContact O-CB 3.34Å; A52-A56 PolarHBondContact O-N 2.9Å; L53-A56 PolarHBondContact O-N 2.9Å; A56-D59 PolarHBondContact O-N 3Å; A56-V60 WeakPolarHBondContact O-CG2 3.3Å; A56-V60 PolarHBondContact O-N 3Å
57F97.9Very high96.7Very high103 Ų10344 Ų4445%0.45223%0.228SC..Hα-helixtrans-62-43.4173.5174.5-112000112L53 L54 A55 D59 V60 K61 L107L53-F57 WeakPolarHBondContact O-CB 3.29Å; L53-F57 PolarHBondContact O-N 3.4Å; L54-F57 PolarHBondContact O-N 2.86Å; A55-F57 VanDerWaalsContact C-N 3.31Å; A55-F57 PolarHBondContact O-N 3.21Å; F57-D59 VanDerWaalsContact C-N 3.35Å; F57-V60 PolarHBondContact O-N 2.91Å; F57-K61 HydrophobicContact CE2-CG 4.35Å; F57-K61 HydrophobicContact CZ-CG 4.22Å; F57-K61 WeakPolarHBondContact O-CG 3.29Å; F57-K61 PolarHBondContact O-N 3.25Å; F57-K61 VanDerWaalsContact O-N 3.11Å; F57-L107 HydrophobicContact CD1-CD1 4.19Å; F57-L107 HydrophobicContact CD1-CD2 3.63Å; F57-L107 HydrophobicContact CE1-CD1 4.2Å; F57-L107 HydrophobicContact CE1-CD2 3.45Å; F57-L107 VanDerWaalsContact CE1-CD2 3.45Å; F57-L107 HydrophobicContact CE1-CG 4.49Å; F57-L107 HydrophobicContact CZ-CD2 4.34Å
58A97.8Very high96.6Very high1 Ų146.2 Ų46.21%0.00824%0.242CC..Hα-helixtrans-64.7-38.117500000112.5L54 A55 K61 F62 T103 C106 L107L54-A58 PolarHBondContact O-N 3.36Å; A55-A58 CarbonylContact O-C 3.27Å; A55-A58 WeakPolarHBondContact O-CA 3.27Å; A55-A58 WeakPolarHBondContact O-CB 3.32Å; A55-A58 PolarHBondContact O-N 3.45Å; A58-K61 PolarHBondContact O-N 3.29Å; A58-F62 WeakPolarHBondContact O-CB 3.5Å; A58-F62 PolarHBondContact O-N 3.39Å; A58-T103 HydrophobicContact CB-CG2 3.62Å; A58-C106 HydrophobicContact CB-CB 3.95Å; A58-L107 HydrophobicContact CB-CD1 4.47Å; A58-L107 HydrophobicContact CB-CD2 4.03Å; A58-L107 HydrophobicContact CB-CG 3.84Å
59D97.3Very high96.5Very high29 Ų2943.7 Ų43.716%0.15523%0.233CC..Hα-helixtrans-64.3-41.5177.3-67.2-13.7000111.4A55 A56 F57 F62 Y63 F79 H82A55-D59 PolarHBondContact O-N 2.82Å; A56-D59 PolarHBondContact O-N 3Å; F57-D59 VanDerWaalsContact C-N 3.35Å; D59-F62 WeakPolarHBondContact O-CB 3.28Å; D59-F62 PolarHBondContact O-N 3.49Å; D59-Y63 PolarHBondContact O-N 3.41Å; D59-F79 HydrophobicContact CB-CE2 4.06Å; D59-F79 WeakPolarHBondContact O-CE2 3.27Å; D59-H82 VanDerWaalsContact CG-NE2 3.32Å; D59-H82 IonicContact OD1-CD2 3.57Å; D59-H82 IonicContact OD1-CE1 3.84Å; D59-H82 IonicContact OD1-NE2 2.61Å; D59-H82 PolarHBondContact OD1-NE2 3.37Å; D59-H82 IonicContact OD2-NE2 2.93Å
60V97.4Very high96.4Very high74 Ų7442 Ų4245%0.44822%0.22SC..Hα-helixtrans-61.7-44.6172.9170.70000110.9A56 F57 F62 Y63 L64A56-V60 WeakPolarHBondContact O-CG2 3.3Å; A56-V60 PolarHBondContact O-N 3Å; F57-V60 PolarHBondContact O-N 2.91Å; V60-F62 VanDerWaalsContact C-N 3.33Å; V60-F62 PolarHBondContact O-N 2.83Å; V60-Y63 PolarHBondContact O-N 2.87Å; V60-L64 HydrophobicContact CG1-CD1 4.24Å; V60-L64 VanDerWaalsContact O-CG 3.32Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 3.17Å
61K96.9Very high96.3Very high47 Ų4745.3 Ų45.320%0.20424%0.239CC..Hα-helixtrans-64.5-39176.2-68-59.1-177.9-173.70112F57 A58 L64 L65 L107 F110F57-K61 HydrophobicContact CE2-CG 4.35Å; F57-K61 HydrophobicContact CZ-CG 4.22Å; F57-K61 WeakPolarHBondContact O-CG 3.29Å; F57-K61 PolarHBondContact O-N 3.25Å; F57-K61 VanDerWaalsContact O-N 3.11Å; A58-K61 PolarHBondContact O-N 3.29Å; K61-L64 HydrophobicContact CD-CD1 4.42Å; K61-L64 PolarHBondContact O-N 3.01Å; K61-L65 PolarHBondContact O-N 2.98Å; K61-L107 HydrophobicContact CB-CD2 4.01Å; K61-L107 HydrophobicContact CG-CD2 3.71Å; K61-F110 HydrophobicContact CB-CB 4.27Å; K61-F110 HydrophobicContact CB-CD2 4.3Å; K61-F110 HydrophobicContact CB-CG 4.22Å; K61-F110 HydrophobicContact CD-CD1 4.33Å; K61-F110 HydrophobicContact CD-CD2 4.5Å; K61-F110 HydrophobicContact CD-CE1 4.29Å; K61-F110 HydrophobicContact CD-CE2 4.48Å; K61-F110 HydrophobicContact CD-CG 4.43Å; K61-F110 HydrophobicContact CD-CZ 4.36Å; K61-F110 WeakPolarHBondContact O-CD2 3.42Å
62F96.6Very high96.3Very high1 Ų149.9 Ų49.90%0.00426%0.261CS..Hα-helixtrans-61.4-47.6174.9179.7-112000111.2A58 D59 V60 L64 L65 I66 T78 H82 L109 P272 I276A58-F62 WeakPolarHBondContact O-CB 3.5Å; A58-F62 PolarHBondContact O-N 3.39Å; D59-F62 WeakPolarHBondContact O-CB 3.28Å; D59-F62 PolarHBondContact O-N 3.49Å; V60-F62 VanDerWaalsContact C-N 3.33Å; V60-F62 PolarHBondContact O-N 2.83Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 2.81Å; F62-L65 WeakPolarHBondContact O-CB 3.29Å; F62-L65 PolarHBondContact O-N 3.11Å; F62-L65 VanDerWaalsContact O-N 3.15Å; F62-I66 HydrophobicContact CE1-CG1 4.44Å; F62-I66 HydrophobicContact CE2-CD1 4.07Å; F62-I66 HydrophobicContact CE2-CG1 4.32Å; F62-I66 HydrophobicContact CZ-CD1 4.21Å; F62-I66 HydrophobicContact CZ-CG1 4.19Å; F62-I66 WeakPolarHBondContact O-CG1 3.48Å; F62-I66 PolarHBondContact O-N 3.26Å; F62-I66 VanDerWaalsContact O-N 3.09Å; F62-T78 HydrophobicContact CE1-CG2 3.95Å; F62-T78 HydrophobicContact CZ-CG2 4.1Å; F62-H82 HydrophobicContact CE1-CB 4.28Å; F62-L109 HydrophobicContact CE2-CD2 4.41Å; F62-P272 HydrophobicContact CE2-CB 4.12Å; F62-P272 HydrophobicContact CZ-CB 4.22Å; F62-P272 WeakPolarHBondContact CZ-O 3.32Å; F62-I276 HydrophobicContact CE2-CD1 4.09Å; F62-I276 HydrophobicContact CE2-CG1 4.08Å; F62-I276 HydrophobicContact CZ-CD1 4.25Å; F62-I276 HydrophobicContact CZ-CG1 3.72Å
63Y96.9Very high96.3Very high48 Ų4851.3 Ų51.319%0.18826%0.264CS..Hα-helixtrans-57.4-45.2174.1175.1-117.5000112.6D59 V60 L65 I66 R67 F79D59-Y63 PolarHBondContact O-N 3.41Å; V60-Y63 PolarHBondContact O-N 2.87Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.14Å; Y63-I66 PolarHBondContact O-N 3.47Å; Y63-R67 HydrophobicContact CD2-CG 4.4Å; Y63-R67 HydrophobicContact CE1-CG 4.15Å; Y63-R67 HydrophobicContact CE2-CG 4Å; Y63-R67 WeakPolarHBondContact O-CG 3.47Å; Y63-R67 PolarHBondContact O-N 3.11Å; Y63-F79 HydrophobicContact CD2-CB 3.75Å; Y63-F79 HydrophobicContact CD2-CD1 4.4Å; Y63-F79 HydrophobicContact CD2-CD2 4.37Å; Y63-F79 AromaticContact CD2-CG 3.95Å; Y63-F79 HydrophobicContact CD2-CG 3.95Å; Y63-F79 HydrophobicContact CE2-CB 4.33Å; Y63-F79 HydrophobicContact CG-CD2 4.35Å; Y63-F79 HydrophobicContact CG-CG 4.26Å
64L96.1Very high96.3Very high61 Ų6146.3 Ų46.332%0.31924%0.238SC..Hα-helixtrans-63-37177.6-69.6175000112.3V60 K61 F62 R67 T68 F110V60-L64 HydrophobicContact CG1-CD1 4.24Å; V60-L64 VanDerWaalsContact O-CG 3.32Å; V60-L64 WeakPolarHBondContact O-CG 3.48Å; V60-L64 PolarHBondContact O-N 3.17Å; K61-L64 HydrophobicContact CD-CD1 4.42Å; K61-L64 PolarHBondContact O-N 3.01Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 2.81Å; L64-R67 PolarHBondContact O-N 2.92Å; L64-T68 WeakPolarHBondContact O-CG2 3.46Å; L64-T68 PolarHBondContact O-N 3.14Å; L64-F110 HydrophobicContact CB-CD2 4.44Å; L64-F110 HydrophobicContact CB-CE2 3.79Å
65L95.6Very high96.3Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-58.4-52.4172.5176.462.9000110.2K61 F62 Y63 R67 T68 L69 L109 F110 L114K61-L65 PolarHBondContact O-N 2.98Å; F62-L65 WeakPolarHBondContact O-CB 3.29Å; F62-L65 PolarHBondContact O-N 3.11Å; F62-L65 VanDerWaalsContact O-N 3.15Å; Y63-L65 VanDerWaalsContact C-N 3.31Å; Y63-L65 PolarHBondContact O-N 3.14Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.99Å; L65-T68 PolarHBondContact O-N 3.19Å; L65-T68 PolarHBondContact O-OG1 2.76Å; L65-L69 HydrophobicContact CD1-CD1 3.9Å; L65-L69 HydrophobicContact CD1-CG 4.26Å; L65-L69 HydrophobicContact CD2-CD1 4.49Å; L65-L69 HydrophobicContact CG-CD1 3.86Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3.27Å; L65-L109 HydrophobicContact CD2-CB 4.28Å; L65-L109 HydrophobicContact CD2-CD2 3.74Å; L65-L109 HydrophobicContact CD2-CG 3.65Å; L65-F110 HydrophobicContact CB-CD2 3.93Å; L65-L114 HydrophobicContact CD1-CD1 4.47Å; L65-L114 HydrophobicContact CD2-CD1 4.2Å
66I95.9Very high96.3Very high1 Ų149.6 Ų49.61%0.00525%0.245CC..Hα-helixtrans-62.8-37.3-176.7-53.7-50.3000111.3F62 Y63 T68 L69 E70 S75 T78 I276F62-I66 HydrophobicContact CE1-CG1 4.44Å; F62-I66 HydrophobicContact CE2-CD1 4.07Å; F62-I66 HydrophobicContact CE2-CG1 4.32Å; F62-I66 HydrophobicContact CZ-CD1 4.21Å; F62-I66 HydrophobicContact CZ-CG1 4.19Å; F62-I66 WeakPolarHBondContact O-CG1 3.48Å; F62-I66 PolarHBondContact O-N 3.26Å; F62-I66 VanDerWaalsContact O-N 3.09Å; Y63-I66 PolarHBondContact O-N 3.47Å; I66-T68 PolarHBondContact O-N 3.5Å; I66-T68 VanDerWaalsContact O-N 3.16Å; I66-L69 HydrophobicContact CD1-CD1 4.5Å; I66-L69 PolarHBondContact O-N 3.24Å; I66-E70 HydrophobicContact CG2-CB 4.19Å; I66-E70 HydrophobicContact CG2-CG 4.32Å; I66-E70 PolarHBondContact O-N 2.85Å; I66-S75 PolarHBondContact O-OG 3.31Å; I66-T78 HydrophobicContact CG1-CG2 4.01Å; I66-T78 HydrophobicContact CG2-CG2 4.38Å; I66-I276 HydrophobicContact CD1-CD1 3.61Å; I66-I276 HydrophobicContact CD1-CG1 3.67Å; I66-I276 HydrophobicContact CD1-CG2 4.48Å
67R95.4Very high96.3Very high125 Ų12548.8 Ų48.847%0.47223%0.232SC..Hα-helixtrans-58.9-25.6172.5-74.9-167.772.6-176.15.4114.4Y63 L64 L65 S75Y63-R67 HydrophobicContact CD2-CG 4.4Å; Y63-R67 HydrophobicContact CE1-CG 4.15Å; Y63-R67 HydrophobicContact CE2-CG 4Å; Y63-R67 WeakPolarHBondContact O-CG 3.47Å; Y63-R67 PolarHBondContact O-N 3.11Å; L64-R67 PolarHBondContact O-N 2.92Å; L65-R67 VanDerWaalsContact C-N 3.28Å; L65-R67 PolarHBondContact O-N 2.99Å; R67-S75 VanDerWaalsContact CA-OG 3.31Å; R67-S75 WeakPolarHBondContact CA-OG 3.42Å; R67-S75 PolarHBondContact N-OG 3.11Å
68T93.8Very high96.3Very high52 Ų5244 Ų4432%0.31921%0.211SC..Hα-helixtrans-83.3-24.7174.465.50000113.1L64 L65 I66L64-T68 WeakPolarHBondContact O-CG2 3.46Å; L64-T68 PolarHBondContact O-N 3.14Å; L65-T68 PolarHBondContact O-N 3.19Å; L65-T68 PolarHBondContact O-OG1 2.76Å; I66-T68 PolarHBondContact O-N 3.5Å; I66-T68 VanDerWaalsContact O-N 3.16Å
69L93.7Very high96.3Very high16 Ų1646.3 Ų46.38%0.08422%0.221CC..Hα-helixtrans-97.4-26.3-174.1-60.6176.6000113.5L65 I66 L114 P115 K241 Y242L65-L69 HydrophobicContact CD1-CD1 3.9Å; L65-L69 HydrophobicContact CD1-CG 4.26Å; L65-L69 HydrophobicContact CD2-CD1 4.49Å; L65-L69 HydrophobicContact CG-CD1 3.86Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3.27Å; I66-L69 HydrophobicContact CD1-CD1 4.5Å; I66-L69 PolarHBondContact O-N 3.24Å; L69-L114 HydrophobicContact CD1-CB 4.43Å; L69-L114 HydrophobicContact CD1-CD1 3.7Å; L69-L114 HydrophobicContact CD2-CB 4.16Å; L69-P115 WeakPolarHBondContact CD2-O 3.32Å; L69-K241 PolarHBondContact O-NZ 3.09Å; L69-Y242 HydrophobicContact CD1-CE1 4.36Å
70E95.1Very high96.3Very high39 Ų3947.5 Ų47.518%0.18223%0.225CC..SBendtrans-136.5171.6-171.5-67.9-63.2170.900113.3I66 V74 K241 Y242I66-E70 HydrophobicContact CG2-CB 4.19Å; I66-E70 HydrophobicContact CG2-CG 4.32Å; I66-E70 PolarHBondContact O-N 2.85Å; E70-V74 HydrophobicContact CB-CB 3.94Å; E70-V74 HydrophobicContact CB-CG1 3.79Å; E70-V74 HydrophobicContact CG-CB 4.41Å; E70-V74 HydrophobicContact CG-CG1 3.76Å; E70-K241 WeakPolarHBondContact OE1-CD 3.35Å; E70-K241 WeakPolarHBondContact OE1-CE 3.37Å; E70-K241 IonicContact OE1-NZ 2.97Å; E70-K241 PolarHBondContact OE1-NZ 2.93Å; E70-K241 IonicContact OE2-NZ 3.47Å; E70-K241 PolarHBondContact OE2-NZ 3.36Å; E70-Y242 VanDerWaalsContact CD-OH 3.24Å; E70-Y242 VanDerWaalsContact CG-OH 3.23Å; E70-Y242 WeakPolarHBondContact CG-OH 3.48Å; E70-Y242 WeakPolarHBondContact OE1-CE2 3.44Å; E70-Y242 VanDerWaalsContact OE1-CZ 3.25Å; E70-Y242 PolarHBondContact OE1-OH 3.43Å
71T95.2Very high96.4Very high85 Ų8544 Ų4452%0.52120%0.203SC..  trans-63.1159.517265.20000111.8D73 V74 S75T71-D73 VanDerWaalsContact C-N 3.26Å; T71-D73 PolarHBondContact O-N 3.25Å; T71-V74 PolarHBondContact O-N 3.45Å; T71-V74 WeakPolarHBondContact OG1-CG2 3.35Å; T71-V74 PolarHBondContact OG1-N 3.42Å; T71-S75 WeakPolarHBondContact O-CB 3.34Å; T71-S75 PolarHBondContact O-N 3.01Å; T71-S75 PolarHBondContact O-OG 3.34Å
72E95.8Very high96.4Very high97 Ų9742 Ų4245%0.45320%0.195SC..Hα-helixtrans-59.5-37177.6-173.3172.3-17900112.4S75 R76E72-S75 PolarHBondContact O-N 3.46Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 2.82Å; E72-R76 PolarHBondContact OE1-NE 3.12Å; E72-R76 IonicContact OE1-NH2 3.88Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å
73D96.1Very high96.4Very high62 Ų6245.4 Ų45.433%0.33221%0.213SC..Hα-helixtrans-62.2-52.4177.6-167.738.5000111T71 S75 R76 W77 R289T71-D73 VanDerWaalsContact C-N 3.26Å; T71-D73 PolarHBondContact O-N 3.25Å; D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 3.32Å; D73-R76 PolarHBondContact O-N 3.25Å; D73-W77 PolarHBondContact O-N 3.41Å; D73-W77 VanDerWaalsContact O-N 3.1Å; D73-W77 VanDerWaalsContact OD1-CD1 3.3Å; D73-W77 PolarHBondContact OD1-NE1 3.29Å; D73-R289 VanDerWaalsContact CG-NH1 3.31Å; D73-R289 IonicContact OD1-NH1 3.37Å; D73-R289 PolarHBondContact OD1-NH1 3.08Å; D73-R289 IonicContact OD2-CZ 3.78Å; D73-R289 IonicContact OD2-NH1 2.73Å; D73-R289 PolarHBondContact OD2-NH1 3.2Å; D73-R289 IonicContact OD2-NH2 3.95Å; D73-R289 PolarHBondContact OD2-NH2 2.79Å
74V96.8Very high96.3Very high12 Ų1243.2 Ų43.27%0.07321%0.205CC..Hα-helixtrans-60.7-37.91781730000111.5E70 T71 W77 T78 I280 A283E70-V74 HydrophobicContact CB-CB 3.94Å; E70-V74 HydrophobicContact CB-CG1 3.79Å; E70-V74 HydrophobicContact CG-CB 4.41Å; E70-V74 HydrophobicContact CG-CG1 3.76Å; T71-V74 PolarHBondContact O-N 3.45Å; T71-V74 WeakPolarHBondContact OG1-CG2 3.35Å; T71-V74 PolarHBondContact OG1-N 3.42Å; V74-W77 PolarHBondContact O-N 2.9Å; V74-T78 VanDerWaalsContact O-CB 3.31Å; V74-T78 WeakPolarHBondContact O-CB 3.4Å; V74-T78 PolarHBondContact O-N 3.47Å; V74-T78 PolarHBondContact O-OG1 3.44Å; V74-I280 HydrophobicContact CG1-CG1 3.58Å; V74-A283 HydrophobicContact CG2-CB 3.75Å
75S97.2Very high96.4Very high0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-62.9-45178.3-57.20000112I66 R67 T71 E72 D73 T78 F79I66-S75 PolarHBondContact O-OG 3.31Å; R67-S75 VanDerWaalsContact CA-OG 3.31Å; R67-S75 WeakPolarHBondContact CA-OG 3.42Å; R67-S75 PolarHBondContact N-OG 3.11Å; T71-S75 WeakPolarHBondContact O-CB 3.34Å; T71-S75 PolarHBondContact O-N 3.01Å; T71-S75 PolarHBondContact O-OG 3.34Å; E72-S75 PolarHBondContact O-N 3.46Å; D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 3.32Å; S75-T78 PolarHBondContact O-N 2.81Å; S75-F79 WeakPolarHBondContact O-CB 3.45Å; S75-F79 PolarHBondContact O-N 3.12Å
76R97.2Very high96.5Very high142 Ų14241.6 Ų41.654%0.53619%0.194SC..Hα-helixtrans-63-44.2177.3-71.7173.7-179.4-162.72111.4E72 D73 F79 F80E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.11Å; E72-R76 IonicContact OE1-NE 2.82Å; E72-R76 PolarHBondContact OE1-NE 3.12Å; E72-R76 IonicContact OE1-NH2 3.88Å; E72-R76 PolarHBondContact OE1-NH2 3.22Å; D73-R76 PolarHBondContact O-N 3.25Å; R76-F79 PolarHBondContact O-N 2.87Å; R76-F80 WeakPolarHBondContact O-CB 3.38Å; R76-F80 PolarHBondContact O-N 3.27Å
77W97.7Very high96.5Very high30 Ų3041.8 Ų41.811%0.11420%0.195CC..Hα-helixtrans-71.9-34.4179.5-68.5112.2000113.6D73 V74 F79 F80 C81 L282 R289 A293D73-W77 PolarHBondContact O-N 3.41Å; D73-W77 VanDerWaalsContact O-N 3.1Å; D73-W77 VanDerWaalsContact OD1-CD1 3.3Å; D73-W77 PolarHBondContact OD1-NE1 3.29Å; V74-W77 PolarHBondContact O-N 2.9Å; W77-F79 VanDerWaalsContact C-N 3.33Å; W77-F80 HydrophobicContact CE3-CB 4.21Å; W77-F80 AromaticContact CE3-CD1 3.98Å; W77-F80 HydrophobicContact CE3-CD1 3.98Å; W77-F80 HydrophobicContact CE3-CG 4.15Å; W77-F80 HydrophobicContact CZ3-CD1 4.17Å; W77-F80 HydrophobicContact CZ3-CG 4.31Å; W77-F80 PolarHBondContact O-N 3.01Å; W77-C81 PolarHBondContact O-N 2.91Å; W77-C81 PolarHBondContact O-SG 3.36Å; W77-C81 VanDerWaalsContact O-SG 3.36Å; W77-L282 HydrophobicContact CB-CB 4.31Å; W77-L282 HydrophobicContact CB-CD2 4.37Å; W77-L282 HydrophobicContact CD2-CD2 3.99Å; W77-L282 HydrophobicContact CD2-CG 4.1Å; W77-L282 HydrophobicContact CE3-CD2 3.28Å; W77-L282 HydrophobicContact CE3-CG 3.83Å; W77-L282 HydrophobicContact CG-CD2 4.44Å; W77-L282 HydrophobicContact CG-CG 4.39Å; W77-L282 HydrophobicContact CZ3-CD2 3.86Å; W77-L282 HydrophobicContact CZ3-CG 4.38Å; W77-R289 HydrophobicContact CD2-CG 4.46Å; W77-R289 HydrophobicContact CH2-CG 3.99Å; W77-R289 HydrophobicContact CZ2-CG 3.75Å; W77-R289 HydrophobicContact CZ3-CG 4.49Å; W77-A293 HydrophobicContact CH2-CB 4.22Å; W77-A293 HydrophobicContact CZ3-CB 3.65Å
78T98Very high96.5Very high1 Ų136.1 Ų36.11%0.00617%0.174CC..Hα-helixtrans-61.3-46171.9-60.20000110.6F62 I66 V74 S75 C81 H82 I276F62-T78 HydrophobicContact CE1-CG2 3.95Å; F62-T78 HydrophobicContact CZ-CG2 4.1Å; I66-T78 HydrophobicContact CG1-CG2 4.01Å; I66-T78 HydrophobicContact CG2-CG2 4.38Å; V74-T78 VanDerWaalsContact O-CB 3.31Å; V74-T78 WeakPolarHBondContact O-CB 3.4Å; V74-T78 PolarHBondContact O-N 3.47Å; V74-T78 PolarHBondContact O-OG1 3.44Å; S75-T78 PolarHBondContact O-N 2.81Å; T78-C81 PolarHBondContact O-N 3.34Å; T78-H82 WeakPolarHBondContact O-CB 3.37Å; T78-H82 PolarHBondContact O-N 3.13Å; T78-I276 HydrophobicContact CG2-CG1 4.25Å
79F97.8Very high96.6Very high51 Ų5138 Ų3822%0.22418%0.176CC..Hα-helixtrans-67.1-38.9178.4-165.9-123.6000112.2D59 Y63 S75 R76 W77 H82 L83D59-F79 HydrophobicContact CB-CE2 4.06Å; D59-F79 WeakPolarHBondContact O-CE2 3.27Å; Y63-F79 HydrophobicContact CD2-CB 3.75Å; Y63-F79 HydrophobicContact CD2-CD1 4.4Å; Y63-F79 HydrophobicContact CD2-CD2 4.37Å; Y63-F79 AromaticContact CD2-CG 3.95Å; Y63-F79 HydrophobicContact CD2-CG 3.95Å; Y63-F79 HydrophobicContact CE2-CB 4.33Å; Y63-F79 HydrophobicContact CG-CD2 4.35Å; Y63-F79 HydrophobicContact CG-CG 4.26Å; S75-F79 WeakPolarHBondContact O-CB 3.45Å; S75-F79 PolarHBondContact O-N 3.12Å; R76-F79 PolarHBondContact O-N 2.87Å; W77-F79 VanDerWaalsContact C-N 3.33Å; F79-H82 PolarHBondContact O-N 3.47Å; F79-L83 HydrophobicContact CD1-CD1 3.78Å; F79-L83 HydrophobicContact CD1-CG 4.3Å; F79-L83 HydrophobicContact CD2-CG 4.38Å; F79-L83 HydrophobicContact CE1-CD1 3.36Å; F79-L83 HydrophobicContact CE1-CG 4.04Å; F79-L83 HydrophobicContact CE2-CD1 4.31Å; F79-L83 HydrophobicContact CE2-CD2 4.21Å; F79-L83 HydrophobicContact CE2-CG 4.11Å; F79-L83 HydrophobicContact CG-CD1 4.42Å; F79-L83 HydrophobicContact CG-CG 4.47Å; F79-L83 HydrophobicContact CZ-CD1 3.66Å; F79-L83 HydrophobicContact CZ-CD2 4.05Å; F79-L83 HydrophobicContact CZ-CG 3.94Å; F79-L83 WeakPolarHBondContact O-CB 3.4Å; F79-L83 WeakPolarHBondContact O-CG 3.32Å; F79-L83 PolarHBondContact O-N 3.32Å
80F98.1Very high96.6Very high54 Ų5439.7 Ų39.724%0.23718%0.183CC..Hα-helixtrans-56.5-51.9170.9172.6-95.4000111.5R76 W77 H82 L83 C84 L282 A293 L297R76-F80 WeakPolarHBondContact O-CB 3.38Å; R76-F80 PolarHBondContact O-N 3.27Å; W77-F80 HydrophobicContact CE3-CB 4.21Å; W77-F80 AromaticContact CE3-CD1 3.98Å; W77-F80 HydrophobicContact CE3-CD1 3.98Å; W77-F80 HydrophobicContact CE3-CG 4.15Å; W77-F80 HydrophobicContact CZ3-CD1 4.17Å; W77-F80 HydrophobicContact CZ3-CG 4.31Å; W77-F80 PolarHBondContact O-N 3.01Å; F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 2.86Å; F80-L83 PolarHBondContact O-N 2.82Å; F80-C84 HydrophobicContact CE1-CB 4.45Å; F80-C84 HydrophobicContact CZ-CB 4.46Å; F80-C84 WeakPolarHBondContact O-CB 3.47Å; F80-C84 PolarHBondContact O-N 3.38Å; F80-L282 HydrophobicContact CD1-CD2 3.96Å; F80-L282 HydrophobicContact CE1-CD2 4.24Å; F80-A293 HydrophobicContact CE1-CB 3.72Å; F80-A293 HydrophobicContact CZ-CB 3.83Å; F80-A293 WeakPolarHBondContact CZ-O 3.34Å; F80-L297 HydrophobicContact CZ-CB 4.29Å
81C98.1Very high96.7Very high0 Ų038 Ų380%018%0.175CC..Hα-helixtrans-59.1-41.6177.7-70.50000112.1W77 T78 C84 S85 H227 M275 C278W77-C81 PolarHBondContact O-N 2.91Å; W77-C81 PolarHBondContact O-SG 3.36Å; W77-C81 VanDerWaalsContact O-SG 3.36Å; T78-C81 PolarHBondContact O-N 3.34Å; C81-C84 PolarHBondContact O-N 3.04Å; C81-S85 PolarHBondContact O-N 3.28Å; C81-S85 VanDerWaalsContact O-N 3.16Å; C81-H227 PolarHBondContact O-NE2 3Å; C81-M275 HydrophobicContact CB-SD 3.86Å; C81-C278 HydrophobicContact CB-CB 3.95Å
82H97.2Very high96.6Very high5 Ų535 Ų352%0.02316%0.158CC..Hα-helixtrans-62.9-48.7178.1-17771000112.8D59 F62 T78 F79 F80 C84 S85 M275D59-H82 VanDerWaalsContact CG-NE2 3.32Å; D59-H82 IonicContact OD1-CD2 3.57Å; D59-H82 IonicContact OD1-CE1 3.84Å; D59-H82 IonicContact OD1-NE2 2.61Å; D59-H82 PolarHBondContact OD1-NE2 3.37Å; D59-H82 IonicContact OD2-NE2 2.93Å; F62-H82 HydrophobicContact CE1-CB 4.28Å; T78-H82 WeakPolarHBondContact O-CB 3.37Å; T78-H82 PolarHBondContact O-N 3.13Å; F79-H82 PolarHBondContact O-N 3.47Å; F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 2.86Å; H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.27Å; H82-S85 PolarHBondContact O-N 3.16Å; H82-M275 HydrophobicContact CB-CB 4.16Å; H82-M275 HydrophobicContact CB-CG 4.11Å
83L96.1Very high96.5Very high73 Ų7333.1 Ų33.138%0.38215%0.152SC..Hα-helixtrans-70.7-23177.9-69.6-174.9000113.4F79 F80 W89F79-L83 HydrophobicContact CD1-CD1 3.78Å; F79-L83 HydrophobicContact CD1-CG 4.3Å; F79-L83 HydrophobicContact CD2-CG 4.38Å; F79-L83 HydrophobicContact CE1-CD1 3.36Å; F79-L83 HydrophobicContact CE1-CG 4.04Å; F79-L83 HydrophobicContact CE2-CD1 4.31Å; F79-L83 HydrophobicContact CE2-CD2 4.21Å; F79-L83 HydrophobicContact CE2-CG 4.11Å; F79-L83 HydrophobicContact CG-CD1 4.42Å; F79-L83 HydrophobicContact CG-CG 4.47Å; F79-L83 HydrophobicContact CZ-CD1 3.66Å; F79-L83 HydrophobicContact CZ-CD2 4.05Å; F79-L83 HydrophobicContact CZ-CG 3.94Å; F79-L83 WeakPolarHBondContact O-CB 3.4Å; F79-L83 WeakPolarHBondContact O-CG 3.32Å; F79-L83 PolarHBondContact O-N 3.32Å; F80-L83 PolarHBondContact O-N 2.82Å; L83-W89 WeakPolarHBondContact O-CZ2 3.4Å; L83-W89 PolarHBondContact O-NE1 3.46Å
84C96.1Very high96.4Very high2 Ų234.7 Ų34.71%0.01415%0.154CC..Hα-helixtrans-86.2-15.1-179.5-178.20000112.6F80 C81 H82 W86 L296 L297 N300F80-C84 HydrophobicContact CE1-CB 4.45Å; F80-C84 HydrophobicContact CZ-CB 4.46Å; F80-C84 WeakPolarHBondContact O-CB 3.47Å; F80-C84 PolarHBondContact O-N 3.38Å; C81-C84 PolarHBondContact O-N 3.04Å; H82-C84 VanDerWaalsContact C-N 3.28Å; H82-C84 PolarHBondContact O-N 3.27Å; C84-W86 PolarHBondContact O-N 2.94Å; C84-L296 VanDerWaalsContact SG-C 3.58Å; C84-L297 WeakPolarHBondContact SG-CA 3.47Å; C84-N300 WeakPolarHBondContact O-CB 3.2Å; C84-N300 PolarHBondContact O-OD1 3.05Å
85S97.4Very high96.3Very high0 Ų037.1 Ų37.10%017%0.169CC..  trans-62.9121.6-176.2177.20000112.3C81 H82 F87 S88 W89C81-S85 PolarHBondContact O-N 3.28Å; C81-S85 VanDerWaalsContact O-N 3.16Å; H82-S85 PolarHBondContact O-N 3.16Å; S85-F87 PolarHBondContact O-N 3.33Å; S85-S88 WeakPolarHBondContact O-CB 3.38Å; S85-S88 PolarHBondContact O-N 3.4Å; S85-S88 VanDerWaalsContact O-N 3.15Å; S85-S88 PolarHBondContact OG-N 3.31Å; S85-W89 PolarHBondContact O-N 3.39Å
86W97.1Very high96.1Very high26 Ų2639.1 Ų39.110%0.09818%0.179CC..Hα-helixtrans-58.3-38.2178.581.5-83.9000111.8C84 W89 F90 V222 N300 L303 A304 T307C84-W86 PolarHBondContact O-N 2.94Å; W86-W89 PolarHBondContact O-N 2.91Å; W86-F90 HydrophobicContact CE3-CB 4.49Å; W86-F90 WeakPolarHBondContact O-CB 3.45Å; W86-F90 PolarHBondContact O-N 3.27Å; W86-V222 HydrophobicContact CH2-CG1 4.16Å; W86-V222 HydrophobicContact CZ2-CG1 3.69Å; W86-V222 VanDerWaalsContact CZ2-O 3.25Å; W86-V222 WeakPolarHBondContact CZ2-O 3.08Å; W86-V222 PolarHBondContact NE1-O 3.45Å; W86-N300 HydrophobicContact CB-CB 3.88Å; W86-N300 VanDerWaalsContact CB-O 3.31Å; W86-N300 WeakPolarHBondContact CB-O 3.3Å; W86-N300 WeakPolarHBondContact CB-OD1 3.43Å; W86-N300 PolarHBondContact N-OD1 2.9Å; W86-L303 HydrophobicContact CB-CB 4.03Å; W86-L303 HydrophobicContact CD2-CB 4.18Å; W86-L303 HydrophobicContact CE3-CB 4.29Å; W86-L303 HydrophobicContact CG-CB 4.08Å; W86-L303 HydrophobicContact CG-CD1 4.27Å; W86-A304 HydrophobicContact CB-CB 4.14Å; W86-T307 HydrophobicContact CZ3-CG2 4.04Å
87F96.9Very high96Very high5 Ų534.4 Ų34.42%0.02217%0.166CC..Hα-helixtrans-72.2-36.1-178.5-163.7-105.4000111.4S85 F90 C91 V223 F264 R265 Y268 L271S85-F87 PolarHBondContact O-N 3.33Å; F87-F90 PolarHBondContact O-N 3.3Å; F87-C91 WeakPolarHBondContact O-CB 3.24Å; F87-C91 PolarHBondContact O-N 2.65Å; F87-V223 WeakPolarHBondContact CB-O 3.49Å; F87-V223 HydrophobicContact CD1-CB 4.42Å; F87-V223 HydrophobicContact CD1-CG1 3.74Å; F87-V223 HydrophobicContact CD1-CG2 4.35Å; F87-V223 HydrophobicContact CD2-CG2 4.44Å; F87-V223 HydrophobicContact CE1-CG1 3.94Å; F87-V223 HydrophobicContact CE1-CG2 4.02Å; F87-V223 HydrophobicContact CE2-CG2 4.14Å; F87-V223 HydrophobicContact CG-CG1 4.27Å; F87-V223 HydrophobicContact CZ-CG2 3.92Å; F87-F264 HydrophobicContact CE2-CB 3.91Å; F87-F264 HydrophobicContact CZ-CB 3.92Å; F87-R265 HydrophobicContact CZ-CB 4.44Å; F87-Y268 AromaticContact CD1-CD2 3.65Å; F87-Y268 HydrophobicContact CD1-CD2 3.65Å; F87-Y268 HydrophobicContact CD1-CE2 4.2Å; F87-Y268 HydrophobicContact CD1-CG 4.31Å; F87-Y268 AromaticContact CE1-CD2 3.77Å; F87-Y268 HydrophobicContact CE1-CD2 3.77Å; F87-Y268 AromaticContact CE1-CG 3.97Å; F87-Y268 HydrophobicContact CE1-CG 3.97Å; F87-L271 HydrophobicContact CB-CD2 4.34Å; F87-L271 HydrophobicContact CD1-CD2 4.23Å
88S95.6Very high95.9Very high6 Ų633 Ų334%0.04216%0.161CC..Hα-helixtrans-60.4-47.6169.3-72.10000111.3S85 F90 C91 C92S85-S88 WeakPolarHBondContact O-CB 3.38Å; S85-S88 PolarHBondContact O-N 3.4Å; S85-S88 VanDerWaalsContact O-N 3.15Å; S85-S88 PolarHBondContact OG-N 3.31Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.91Å; S88-C91 PolarHBondContact O-N 2.93Å; S88-C92 WeakPolarHBondContact O-CB 3.41Å; S88-C92 PolarHBondContact O-N 3.15Å; S88-C92 PolarHBondContact O-SG 3.32Å
89W95.3Very high95.8Very high91 Ų9133 Ų3335%0.34516%0.161SC..Hα-helixtrans-59.7-38.6175.5-72.2-20.9000113.2L83 S85 W86 L297 N300 L301 A304L83-W89 WeakPolarHBondContact O-CZ2 3.4Å; L83-W89 PolarHBondContact O-NE1 3.46Å; S85-W89 PolarHBondContact O-N 3.39Å; W86-W89 PolarHBondContact O-N 2.91Å; W89-L297 HydrophobicContact CH2-CD1 3.94Å; W89-N300 HydrophobicContact CZ3-CB 4.39Å; W89-L301 HydrophobicContact CH2-CB 4.5Å; W89-L301 HydrophobicContact CH2-CD1 4.25Å; W89-L301 HydrophobicContact CZ3-CB 4.03Å; W89-L301 HydrophobicContact CZ3-CD1 3.97Å; W89-A304 HydrophobicContact CB-CB 4.06Å; W89-A304 HydrophobicContact CD2-CB 4.35Å; W89-A304 HydrophobicContact CE3-CB 3.51Å; W89-A304 HydrophobicContact CZ3-CB 4.36Å
90F94.9Very high95.7Very high53 Ų5330.9 Ų30.923%0.23215%0.153CC..Hα-helixtrans-66.5-38.9177.6-177.4-99.2000112.6W86 F87 S88 R94 T307W86-F90 HydrophobicContact CE3-CB 4.49Å; W86-F90 WeakPolarHBondContact O-CB 3.45Å; W86-F90 PolarHBondContact O-N 3.27Å; F87-F90 PolarHBondContact O-N 3.3Å; S88-F90 VanDerWaalsContact C-N 3.29Å; S88-F90 PolarHBondContact O-N 2.91Å; F90-R94 VanDerWaalsContact CZ-NH1 3.3Å; F90-R94 VanDerWaalsContact CZ-NH2 3.3Å; F90-R94 WeakPolarHBondContact O-CD 3.31Å; F90-R94 WeakPolarHBondContact O-CG 3.23Å; F90-R94 PolarHBondContact O-NE 2.84Å; F90-T307 WeakPolarHBondContact CE2-O 3.49Å
91C95.4Very high95.6Very high2 Ų228.3 Ų28.31%0.01414%0.142CC..Hα-helixtrans-98.2-35-172-72.90000115.6F87 S88 T93 R94 T99 Y268F87-C91 WeakPolarHBondContact O-CB 3.24Å; F87-C91 PolarHBondContact O-N 2.65Å; S88-C91 PolarHBondContact O-N 2.93Å; C91-T93 VanDerWaalsContact C-N 3.26Å; C91-T93 PolarHBondContact O-N 3.43Å; C91-T93 VanDerWaalsContact O-N 3.13Å; C91-R94 WeakPolarHBondContact O-CB 3.38Å; C91-R94 PolarHBondContact O-N 3.46Å; C91-T99 WeakPolarHBondContact O-CG2 3.48Å; C91-T99 PolarHBondContact O-OG1 3.01Å; C91-Y268 HydrophobicContact CB-CD1 4Å; C91-Y268 HydrophobicContact CB-CE1 3.69Å; C91-Y268 HydrophobicContact CB-CE2 4.45Å
92C94.1Very high95.6Very high24 Ų2428.5 Ų28.516%0.16214%0.143CC..THydrogen-bonded Turntrans-64.4-26-162.469.30000114.6Q51 A55 S88 T99Q51-C92 WeakPolarHBondContact CG-O 3.07Å; A55-C92 HydrophobicContact CB-CB 4.14Å; S88-C92 WeakPolarHBondContact O-CB 3.41Å; S88-C92 PolarHBondContact O-N 3.15Å; S88-C92 PolarHBondContact O-SG 3.32Å; C92-T99 WeakPolarHBondContact O-CG2 3.45Å
93T93.7Very high95.6Very high56 Ų5628.9 Ų28.934%0.34415%0.146SC..THydrogen-bonded Turntrans-93.9-11.3178.562.70000113R48 A52 C91R48-T93 WeakPolarHBondContact CA-O 3.25Å; R48-T93 WeakPolarHBondContact CB-O 3.38Å; A52-T93 HydrophobicContact CB-CG2 4.02Å; C91-T93 VanDerWaalsContact C-N 3.26Å; C91-T93 PolarHBondContact O-N 3.43Å; C91-T93 VanDerWaalsContact O-N 3.13Å
94R93.8Very high95.7Very high95 Ų9526.4 Ų26.436%0.35813%0.132SC..SBendtrans-82.1138.1-179-59.5-175.5-179.4-146.8-8.1109.8F90 C91 L96 T99F90-R94 VanDerWaalsContact CZ-NH1 3.3Å; F90-R94 VanDerWaalsContact CZ-NH2 3.3Å; F90-R94 WeakPolarHBondContact O-CD 3.31Å; F90-R94 WeakPolarHBondContact O-CG 3.23Å; F90-R94 PolarHBondContact O-NE 2.84Å; C91-R94 WeakPolarHBondContact O-CB 3.38Å; C91-R94 PolarHBondContact O-N 3.46Å; R94-L96 HydrophobicContact CB-CD1 4.09Å; R94-L96 HydrophobicContact CB-CG 3.92Å; R94-L96 PolarHBondContact O-N 2.97Å; R94-T99 WeakPolarHBondContact O-CB 3.35Å; R94-T99 PolarHBondContact O-OG1 3.32Å
95T93.9Very high95.8Very high64 Ų6426.3 Ų26.339%0.39313%0.132SC..  trans-77.844.7179.851.40000112.8F25 P47 Q51F25-T95 HydrophobicContact CD1-CG2 4.4Å; F25-T95 HydrophobicContact CE1-CG2 3.65Å; F25-T95 HydrophobicContact CE2-CG2 4.08Å; F25-T95 HydrophobicContact CZ-CG2 3.47Å; F25-T95 VanDerWaalsContact CZ-CG2 3.47Å; P47-T95 HydrophobicContact CB-CG2 3.6Å; Q51-T95 HydrophobicContact CB-CG2 4.43Å
96L93.7Very high95.8Very high42 Ų4226.4 Ų26.422%0.2213%0.132CC..  trans-85.4145.4177.1-60.1175.4000110.1R94 N98 T99 A100R94-L96 HydrophobicContact CB-CD1 4.09Å; R94-L96 HydrophobicContact CB-CG 3.92Å; R94-L96 PolarHBondContact O-N 2.97Å; L96-N98 PolarHBondContact O-N 3.08Å; L96-T99 WeakPolarHBondContact O-CB 3.24Å; L96-T99 PolarHBondContact O-N 3.16Å; L96-A100 PolarHBondContact O-N 3.45Å
97T94.3Very high95.8Very high42 Ų4226 Ų2626%0.25813%0.132SC..Hα-helixtrans-62-31.3173.153.20000112.1F21 T99 A100 E101 V135 R136F21-T97 HydrophobicContact CD1-CG2 3.9Å; F21-T97 HydrophobicContact CE1-CG2 4.35Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.08Å; T97-A100 PolarHBondContact O-N 3.2Å; T97-E101 WeakPolarHBondContact O-CB 3.35Å; T97-E101 PolarHBondContact O-N 3.15Å; T97-V135 HydrophobicContact CG2-CG1 4.12Å; T97-R136 PolarHBondContact OG1-NH1 2.92Å; T97-R136 VanDerWaalsContact OG1-NH1 3.14Å
98N95.6Very high95.9Very high1 Ų125.8 Ų25.81%0.00513%0.131CC..Hα-helixtrans-66.6-31.9173.1-65.5105.8000112.8L96 E101 T102 R136 R265L96-N98 PolarHBondContact O-N 3.08Å; N98-E101 PolarHBondContact ND2-OE2 3.35Å; N98-E101 PolarHBondContact O-N 3.46Å; N98-T102 PolarHBondContact O-N 3.21Å; N98-T102 PolarHBondContact O-OG1 3.47Å; N98-R136 VanDerWaalsContact ND2-CZ 3.31Å; N98-R136 PolarHBondContact ND2-NE 3.11Å; N98-R136 PolarHBondContact OD1-NH1 3.38Å; N98-R136 VanDerWaalsContact OD1-NH1 3.13Å; N98-R265 HydrophobicContact CB-CB 4.34Å; N98-R265 WeakPolarHBondContact OD1-CD 3.27Å
99T96.3Very high95.9Very high1 Ų125.5 Ų25.51%0.00613%0.129CC..Hα-helixtrans-67.6-45.8174.6-54.90000110Q51 C91 C92 R94 L96 T97 E101 T102 T103 Y268Q51-T99 HydrophobicContact CG-CG2 4.05Å; C91-T99 WeakPolarHBondContact O-CG2 3.48Å; C91-T99 PolarHBondContact O-OG1 3.01Å; C92-T99 WeakPolarHBondContact O-CG2 3.45Å; R94-T99 WeakPolarHBondContact O-CB 3.35Å; R94-T99 PolarHBondContact O-OG1 3.32Å; L96-T99 WeakPolarHBondContact O-CB 3.24Å; L96-T99 PolarHBondContact O-N 3.16Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.08Å; T99-E101 VanDerWaalsContact C-N 3.34Å; T99-E101 PolarHBondContact O-N 2.84Å; T99-T102 PolarHBondContact O-N 2.91Å; T99-T103 PolarHBondContact O-N 3.44Å; T99-T103 PolarHBondContact O-OG1 3.18Å; T99-T103 VanDerWaalsContact O-OG1 3.04Å; T99-Y268 HydrophobicContact CG2-CE1 4.43Å
100A96.3Very high96Very high7 Ų721.9 Ų21.96%0.05812%0.116CC..Hα-helixtrans-61.5-41174.600000112.5F21 L96 T97 T102 T103 L104 V135F21-A100 HydrophobicContact CD2-CB 4.15Å; F21-A100 HydrophobicContact CE1-CB 4.31Å; F21-A100 HydrophobicContact CE2-CB 3.54Å; F21-A100 HydrophobicContact CZ-CB 3.62Å; L96-A100 PolarHBondContact O-N 3.45Å; T97-A100 PolarHBondContact O-N 3.2Å; A100-T102 PolarHBondContact O-N 2.77Å; A100-T103 PolarHBondContact O-N 2.97Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.27Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.29Å; A100-V135 HydrophobicContact CB-CG1 4.14Å
101E96.6Very high96.1Very high0 Ų021.5 Ų21.50%011%0.113CC..Hα-helixtrans-57-46.8173.4179.4-175.6-15600111.7T97 N98 T99 T105 R136 A139 P269T97-E101 WeakPolarHBondContact O-CB 3.35Å; T97-E101 PolarHBondContact O-N 3.15Å; N98-E101 PolarHBondContact ND2-OE2 3.35Å; N98-E101 PolarHBondContact O-N 3.46Å; T99-E101 VanDerWaalsContact C-N 3.34Å; T99-E101 PolarHBondContact O-N 2.84Å; E101-T105 VanDerWaalsContact O-CB 3.22Å; E101-T105 WeakPolarHBondContact O-CB 3.21Å; E101-T105 PolarHBondContact O-N 3.17Å; E101-T105 PolarHBondContact O-OG1 2.95Å; E101-R136 WeakPolarHBondContact OE2-CD 3.4Å; E101-R136 IonicContact OE2-NE 3.34Å; E101-A139 HydrophobicContact CG-CB 3.93Å; E101-A139 WeakPolarHBondContact OE1-CA 3.14Å; E101-A139 PolarHBondContact OE1-N 3.02Å; E101-P269 HydrophobicContact CB-CG 4.27Å; E101-P269 VanDerWaalsContact CD-CG 3.41Å; E101-P269 HydrophobicContact CG-CB 4.22Å; E101-P269 HydrophobicContact CG-CG 3.56Å; E101-P269 WeakPolarHBondContact OE2-CG 3.34Å
102T97.3Very high96.1Very high4 Ų421.5 Ų21.53%0.02511%0.113CC..Hα-helixtrans-63.8-47.3175.8-58.80000111.8N98 T99 A100 L104 T105 C106 Y268 P269 P272N98-T102 PolarHBondContact O-N 3.21Å; N98-T102 PolarHBondContact O-OG1 3.47Å; T99-T102 PolarHBondContact O-N 2.91Å; A100-T102 PolarHBondContact O-N 2.77Å; T102-L104 PolarHBondContact O-N 2.85Å; T102-T105 PolarHBondContact O-N 3.07Å; T102-C106 PolarHBondContact O-N 3.3Å; T102-Y268 HydrophobicContact CG2-CD1 4.01Å; T102-Y268 HydrophobicContact CG2-CD2 4.46Å; T102-Y268 HydrophobicContact CG2-CE1 3.78Å; T102-Y268 HydrophobicContact CG2-CE2 4.28Å; T102-Y268 HydrophobicContact CG2-CG 4.33Å; T102-Y268 WeakPolarHBondContact OG1-CD1 3.45Å; T102-Y268 WeakPolarHBondContact OG1-CE1 3.45Å; T102-P269 VanDerWaalsContact OG1-CA 3.26Å; T102-P269 WeakPolarHBondContact OG1-CA 3.45Å; T102-P272 HydrophobicContact CG2-CG 3.97Å
103T97.6Very high96Very high13 Ų1321.4 Ų21.48%0.0811%0.112CC..Hα-helixtrans-58-48.6177.8-59.70000111.4L54 A58 T99 A100 T105 C106 L107L54-T103 HydrophobicContact CB-CG2 4.21Å; L54-T103 WeakPolarHBondContact O-CG2 3.16Å; A58-T103 HydrophobicContact CB-CG2 3.62Å; T99-T103 PolarHBondContact O-N 3.44Å; T99-T103 PolarHBondContact O-OG1 3.18Å; T99-T103 VanDerWaalsContact O-OG1 3.04Å; A100-T103 PolarHBondContact O-N 2.97Å; T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.43Å; T103-C106 PolarHBondContact O-N 2.88Å; T103-L107 HydrophobicContact CG2-CD1 4.31Å; T103-L107 WeakPolarHBondContact O-CG 3.47Å; T103-L107 PolarHBondContact O-N 3.34Å
104L98Very high95.9Very high20 Ų2019.1 Ų19.111%0.10510%0.098CC..Hα-helixtrans-65.8-35.8177.9-70.3169.9000111.9A100 T102 L107 A108 L128 L131 A132 V135A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.27Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.29Å; T102-L104 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 2.75Å; L104-A108 VanDerWaalsContact O-CB 3.23Å; L104-A108 WeakPolarHBondContact O-CB 3.2Å; L104-A108 PolarHBondContact O-N 3.32Å; L104-L128 HydrophobicContact CD2-CD2 3.99Å; L104-L131 HydrophobicContact CD1-CB 4.44Å; L104-L131 HydrophobicContact CD1-CD2 4.29Å; L104-L131 HydrophobicContact CD1-CG 3.94Å; L104-L131 HydrophobicContact CD2-CD2 3.77Å; L104-L131 HydrophobicContact CD2-CG 4.28Å; L104-A132 HydrophobicContact CB-CB 3.9Å; L104-A132 HydrophobicContact CD1-CB 3.96Å; L104-V135 HydrophobicContact CD1-CG2 4.45Å
105T97.7Very high95.5Very high0 Ų019.4 Ų19.40%011%0.112CC..Hα-helixtrans-64.1-45.2175.1-64.80000111.5E101 T102 T103 L107 A108 L109 V142 W143 F273E101-T105 VanDerWaalsContact O-CB 3.22Å; E101-T105 WeakPolarHBondContact O-CB 3.21Å; E101-T105 PolarHBondContact O-N 3.17Å; E101-T105 PolarHBondContact O-OG1 2.95Å; T102-T105 PolarHBondContact O-N 3.07Å; T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.43Å; T105-L107 PolarHBondContact O-N 2.97Å; T105-A108 PolarHBondContact O-N 2.89Å; T105-L109 VanDerWaalsContact O-CB 3.31Å; T105-L109 WeakPolarHBondContact O-CB 3.24Å; T105-L109 PolarHBondContact O-N 3.03Å; T105-V142 HydrophobicContact CG2-CG1 4.36Å; T105-W143 HydrophobicContact CG2-CZ2 4.09Å; T105-W143 PolarHBondContact OG1-NE1 3.29Å; T105-F273 HydrophobicContact CG2-CE1 3.89Å; T105-F273 HydrophobicContact CG2-CZ 3.72Å
106C97.1Very high94.8Very high2 Ų219.1 Ų19.11%0.01412%0.121CC..Hα-helixtrans-59.8-45173.8-75.70000112.2A58 T102 T103 L109 F110 P272A58-C106 HydrophobicContact CB-CB 3.95Å; T102-C106 PolarHBondContact O-N 3.3Å; T103-C106 PolarHBondContact O-N 2.88Å; C106-L109 PolarHBondContact O-N 2.94Å; C106-F110 PolarHBondContact O-N 2.83Å; C106-P272 WeakPolarHBondContact SG-CG 3.49Å
107L98Very high94.4Very high18 Ų1818 Ų189%0.09412%0.118CC..Hα-helixtrans-64.8-41.5178.1-69.6173.2000112.3F57 A58 K61 T103 L104 T105 F110 Y111 L128F57-L107 HydrophobicContact CD1-CD1 4.19Å; F57-L107 HydrophobicContact CD1-CD2 3.63Å; F57-L107 HydrophobicContact CE1-CD1 4.2Å; F57-L107 HydrophobicContact CE1-CD2 3.45Å; F57-L107 VanDerWaalsContact CE1-CD2 3.45Å; F57-L107 HydrophobicContact CE1-CG 4.49Å; F57-L107 HydrophobicContact CZ-CD2 4.34Å; A58-L107 HydrophobicContact CB-CD1 4.47Å; A58-L107 HydrophobicContact CB-CD2 4.03Å; A58-L107 HydrophobicContact CB-CG 3.84Å; K61-L107 HydrophobicContact CB-CD2 4.01Å; K61-L107 HydrophobicContact CG-CD2 3.71Å; T103-L107 HydrophobicContact CG2-CD1 4.31Å; T103-L107 WeakPolarHBondContact O-CG 3.47Å; T103-L107 PolarHBondContact O-N 3.34Å; L104-L107 PolarHBondContact O-N 2.75Å; T105-L107 PolarHBondContact O-N 2.97Å; L107-F110 WeakPolarHBondContact O-CB 3.32Å; L107-F110 PolarHBondContact O-N 2.98Å; L107-Y111 WeakPolarHBondContact O-CD2 3.26Å; L107-L128 HydrophobicContact CB-CD1 3.93Å; L107-L128 HydrophobicContact CB-CD2 4.4Å
108A97.8Very high93.9Very high0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-67.5-39.5177.400000111.1L104 T105 F110 Y111 F112 Y125 L128 V129 W143L104-A108 VanDerWaalsContact O-CB 3.23Å; L104-A108 WeakPolarHBondContact O-CB 3.2Å; L104-A108 PolarHBondContact O-N 3.32Å; T105-A108 PolarHBondContact O-N 2.89Å; A108-F110 PolarHBondContact O-N 3.16Å; A108-Y111 CarbonylContact O-C 3.58Å; A108-Y111 PolarHBondContact O-N 2.85Å; A108-F112 PolarHBondContact O-N 2.99Å; A108-F112 VanDerWaalsContact O-N 3.11Å; A108-Y125 WeakPolarHBondContact O-CB 3.44Å; A108-L128 HydrophobicContact CB-CB 3.75Å; A108-L128 HydrophobicContact CB-CD1 4.33Å; A108-V129 HydrophobicContact CB-CG2 3.97Å; A108-W143 HydrophobicContact CB-CH2 3.56Å; A108-W143 HydrophobicContact CB-CZ2 3.29Å
109L96.8Very high93.5Very high0 Ų027.2 Ų27.20%016%0.157CC..Hα-helixtrans-59.4-35.5178-167.971.7000112.1F62 L65 T105 C106 Y111 F112 L114 L245 F273F62-L109 HydrophobicContact CE2-CD2 4.41Å; L65-L109 HydrophobicContact CD2-CB 4.28Å; L65-L109 HydrophobicContact CD2-CD2 3.74Å; L65-L109 HydrophobicContact CD2-CG 3.65Å; T105-L109 VanDerWaalsContact O-CB 3.31Å; T105-L109 WeakPolarHBondContact O-CB 3.24Å; T105-L109 PolarHBondContact O-N 3.03Å; C106-L109 PolarHBondContact O-N 2.94Å; L109-Y111 PolarHBondContact O-N 2.61Å; L109-F112 HydrophobicContact CD1-CB 4.46Å; L109-F112 HydrophobicContact CD1-CD1 4.49Å; L109-F112 WeakPolarHBondContact O-CB 3.48Å; L109-F112 PolarHBondContact O-N 3.18Å; L109-F112 VanDerWaalsContact O-N 3.14Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CG-CD1 4.44Å; L109-L245 HydrophobicContact CD1-CD2 4.13Å; L109-F273 HydrophobicContact CD1-CE1 4.3Å; L109-F273 HydrophobicContact CD1-CZ 4.43Å; L109-F273 HydrophobicContact CD2-CD1 3.98Å; L109-F273 HydrophobicContact CD2-CE1 3.75Å; L109-F273 HydrophobicContact CG-CE1 4.5Å
110F96.7Very high93.3Very high16 Ų1631.7 Ų31.77%0.0718%0.175CC..Hα-helixtrans-58.1-29.1174.9178.2-97.7000113.6K61 L64 L65 C106 L107 A108 T119K61-F110 HydrophobicContact CB-CB 4.27Å; K61-F110 HydrophobicContact CB-CD2 4.3Å; K61-F110 HydrophobicContact CB-CG 4.22Å; K61-F110 HydrophobicContact CD-CD1 4.33Å; K61-F110 HydrophobicContact CD-CD2 4.5Å; K61-F110 HydrophobicContact CD-CE1 4.29Å; K61-F110 HydrophobicContact CD-CE2 4.48Å; K61-F110 HydrophobicContact CD-CG 4.43Å; K61-F110 HydrophobicContact CD-CZ 4.36Å; K61-F110 WeakPolarHBondContact O-CD2 3.42Å; L64-F110 HydrophobicContact CB-CD2 4.44Å; L64-F110 HydrophobicContact CB-CE2 3.79Å; L65-F110 HydrophobicContact CB-CD2 3.93Å; C106-F110 PolarHBondContact O-N 2.83Å; L107-F110 WeakPolarHBondContact O-CB 3.32Å; L107-F110 PolarHBondContact O-N 2.98Å; A108-F110 PolarHBondContact O-N 3.16Å; F110-T119 HydrophobicContact CE1-CG2 4.05Å; F110-T119 HydrophobicContact CE2-CG2 4.21Å; F110-T119 HydrophobicContact CZ-CG2 3.62Å; F110-T119 PolarHBondContact O-OG1 3.48Å
111Y96.8Very high93.1Very high44 Ų4432.9 Ų32.917%0.17318%0.183CC..Hα-helixtrans-103.5-1.2179.6-62.7-67.2000113.6L107 A108 L109 T119 S121 K124 L128L107-Y111 WeakPolarHBondContact O-CD2 3.26Å; A108-Y111 CarbonylContact O-C 3.58Å; A108-Y111 PolarHBondContact O-N 2.85Å; L109-Y111 PolarHBondContact O-N 2.61Å; Y111-T119 WeakPolarHBondContact CD1-O 3.35Å; Y111-S121 PolarHBondContact O-N 3.17Å; Y111-K124 HydrophobicContact CD1-CB 4.16Å; Y111-K124 HydrophobicContact CD1-CD 3.71Å; Y111-K124 HydrophobicContact CD2-CB 3.89Å; Y111-K124 HydrophobicContact CD2-CD 4.45Å; Y111-K124 HydrophobicContact CE1-CD 3.48Å; Y111-K124 VanDerWaalsContact CE1-CD 3.48Å; Y111-K124 HydrophobicContact CE2-CB 4.3Å; Y111-K124 HydrophobicContact CE2-CD 4.25Å; Y111-K124 HydrophobicContact CG-CB 3.81Å; Y111-K124 HydrophobicContact CG-CD 4.21Å; Y111-L128 HydrophobicContact CD2-CD1 3.89Å; Y111-L128 HydrophobicContact CE2-CD1 4.16Å
112F95.7Very high92.9Very high2 Ų233.4 Ų33.41%0.00919%0.186CC..SBendtrans-74.7143.4179-176.4-102.3000110.6A108 L109 L114 Y125 W143 L146 H150A108-F112 PolarHBondContact O-N 2.99Å; A108-F112 VanDerWaalsContact O-N 3.11Å; L109-F112 HydrophobicContact CD1-CB 4.46Å; L109-F112 HydrophobicContact CD1-CD1 4.49Å; L109-F112 WeakPolarHBondContact O-CB 3.48Å; L109-F112 PolarHBondContact O-N 3.18Å; L109-F112 VanDerWaalsContact O-N 3.14Å; F112-L114 HydrophobicContact CD1-CD2 3.77Å; F112-L114 HydrophobicContact CD1-CG 3.84Å; F112-L114 HydrophobicContact CE1-CD2 3.89Å; F112-L114 HydrophobicContact CE1-CG 4.42Å; F112-L114 PolarHBondContact O-N 2.87Å; F112-Y125 HydrophobicContact CD2-CD2 4.28Å; F112-Y125 HydrophobicContact CD2-CE2 4.24Å; F112-W143 HydrophobicContact CB-CH2 4.4Å; F112-W143 HydrophobicContact CB-CZ3 4.45Å; F112-W143 HydrophobicContact CD2-CH2 4.47Å; F112-W143 AromaticContact CD2-CZ3 3.72Å; F112-W143 HydrophobicContact CD2-CZ3 3.72Å; F112-W143 HydrophobicContact CE2-CZ3 4.37Å; F112-W143 HydrophobicContact CG-CZ3 4.22Å; F112-L146 HydrophobicContact CD1-CD2 4.47Å; F112-L146 HydrophobicContact CD2-CB 4.48Å; F112-L146 HydrophobicContact CE1-CB 4.42Å; F112-L146 HydrophobicContact CE1-CD2 3.87Å; F112-L146 HydrophobicContact CE2-CB 3.8Å; F112-L146 WeakPolarHBondContact CE2-O 3.34Å; F112-L146 HydrophobicContact CZ-CB 3.78Å; F112-L146 HydrophobicContact CZ-CD2 4.02Å; F112-L146 HydrophobicContact CZ-CG 4.49Å; F112-L146 VanDerWaalsContact CZ-O 3.27Å; F112-L146 WeakPolarHBondContact CZ-O 3.22Å; F112-H150 HydrophobicContact CE2-CB 4.01Å; F112-H150 HydrophobicContact CZ-CB 4.32Å
113P92.9Very high92.7Very high22 Ų2239 Ų3914%0.14321%0.21CC..  trans-73.967-179.529.2-33.8000112.5Y120 H150P113-Y120 HydrophobicContact CB-CD2 3.5Å; P113-Y120 VanDerWaalsContact CB-CD2 3.5Å; P113-Y120 HydrophobicContact CB-CE2 3.73Å; P113-Y120 HydrophobicContact CB-CG 3.97Å; P113-Y120 HydrophobicContact CG-CD2 3.85Å; P113-Y120 HydrophobicContact CG-CE2 3.68Å; P113-H150 HydrophobicContact CG-CB 4.22Å
114L91Very high92.6Very high9 Ų943.6 Ų43.65%0.04723%0.229CC..  trans-70.8144.8167.1-69.4175.6000110.5L65 L69 L109 F112 G116 S117 I244 L245L65-L114 HydrophobicContact CD1-CD1 4.47Å; L65-L114 HydrophobicContact CD2-CD1 4.2Å; L69-L114 HydrophobicContact CD1-CB 4.43Å; L69-L114 HydrophobicContact CD1-CD1 3.7Å; L69-L114 HydrophobicContact CD2-CB 4.16Å; L109-L114 HydrophobicContact CD1-CD1 4.28Å; L109-L114 HydrophobicContact CG-CD1 4.44Å; F112-L114 HydrophobicContact CD1-CD2 3.77Å; F112-L114 HydrophobicContact CD1-CG 3.84Å; F112-L114 HydrophobicContact CE1-CD2 3.89Å; F112-L114 HydrophobicContact CE1-CG 4.42Å; F112-L114 PolarHBondContact O-N 2.87Å; L114-G116 PolarHBondContact O-N 2.71Å; L114-G116 VanDerWaalsContact O-N 3.14Å; L114-S117 VanDerWaalsContact O-CB 3.25Å; L114-S117 WeakPolarHBondContact O-CB 3.24Å; L114-S117 PolarHBondContact O-N 3.49Å; L114-I244 HydrophobicContact CD2-CG2 4.24Å; L114-L245 HydrophobicContact CD2-CD2 4.16Å; L114-L245 HydrophobicContact CD2-CG 4.48Å
115P84.9Confident92.6Very high101 Ų10142.6 Ų42.666%0.65622%0.224SC*.THydrogen-bonded Turntrans-54.5120.6173.2-24.533.8000111.3L69L69-P115 WeakPolarHBondContact CD2-O 3.32Å
116G79.2Confident92.5Very high57 Ų5743 Ų4359%0.58823%0.226SC*.THydrogen-bonded Turntrans92.4-7.5-177.300000115.4L114 K118L114-G116 PolarHBondContact O-N 2.71Å; L114-G116 VanDerWaalsContact O-N 3.14Å; G116-K118 PolarHBondContact O-N 3.05Å
117S85.1Confident92.6Very high20 Ų2045.8 Ų45.814%0.1425%0.246CC..  trans-71.4128.6175.2-179.30000111.5L114 T119L114-S117 VanDerWaalsContact O-CB 3.25Å; L114-S117 WeakPolarHBondContact O-CB 3.24Å; L114-S117 PolarHBondContact O-N 3.49Å; S117-T119 PolarHBondContact OG-N 3.03Å; S117-T119 PolarHBondContact OG-OG1 2.98Å
118K84.4Confident92.5Very high194 Ų19446.7 Ų46.784%0.84325%0.25SS*.SBendtrans-94-8.8176.3-62.9-176.9-179179.40113.3G116G116-K118 PolarHBondContact O-N 3.05Å
119T87.4Confident92.5Very high42 Ų4247 Ų4726%0.25825%0.252SS..  trans-10210.7-169.948.60000113.1F110 Y111 S117 S121F110-T119 HydrophobicContact CE1-CG2 4.05Å; F110-T119 HydrophobicContact CE2-CG2 4.21Å; F110-T119 HydrophobicContact CZ-CG2 3.62Å; F110-T119 PolarHBondContact O-OG1 3.48Å; Y111-T119 WeakPolarHBondContact CD1-O 3.35Å; S117-T119 PolarHBondContact OG-N 3.03Å; S117-T119 PolarHBondContact OG-OG1 2.98Å; T119-S121 PolarHBondContact O-N 3.14Å
120Y91.3Very high92.5Very high94 Ų9447.9 Ų47.937%0.36926%0.259SS..  trans-51.4128.9-176.6166.9-125000112.8P113 S122 Y125 H150P113-Y120 HydrophobicContact CB-CD2 3.5Å; P113-Y120 VanDerWaalsContact CB-CD2 3.5Å; P113-Y120 HydrophobicContact CB-CE2 3.73Å; P113-Y120 HydrophobicContact CB-CG 3.97Å; P113-Y120 HydrophobicContact CG-CD2 3.85Å; P113-Y120 HydrophobicContact CG-CE2 3.68Å; Y120-S122 PolarHBondContact OH-OG 3.49Å; Y120-Y125 HydrophobicContact CE2-CE1 4.42Å; Y120-H150 AromaticContact CZ-NE2 3.83Å; Y120-H150 PolarHBondContact OH-CE1 3.33Å; Y120-H150 PolarHBondContact OH-NE2 2.96Å
121S93.4Very high92.5Very high33 Ų3350.4 Ų50.423%0.23127%0.273CS..  trans-151.7104170.5-173.40000111.1Y111 T119 K123 K124 Y125Y111-S121 PolarHBondContact O-N 3.17Å; T119-S121 PolarHBondContact O-N 3.14Å; S121-K123 VanDerWaalsContact C-N 3.28Å; S121-K123 PolarHBondContact O-N 3.37Å; S121-K124 PolarHBondContact O-N 2.87Å; S121-K124 VanDerWaalsContact O-N 3.11Å; S121-Y125 WeakPolarHBondContact O-CD1 3.08Å; S121-Y125 PolarHBondContact O-N 3.1Å; S121-Y125 VanDerWaalsContact O-N 3.09Å
122S91.8Very high92.5Very high10 Ų1048.3 Ų48.37%0.0727%0.265CS..Hα-helixtrans-47.7-47.5176-100.70000113.8Y120 L126 H150Y120-S122 PolarHBondContact OH-OG 3.49Å; S122-L126 VanDerWaalsContact O-CB 3.24Å; S122-L126 WeakPolarHBondContact O-CB 3.3Å; S122-L126 WeakPolarHBondContact O-CD1 3.27Å; S122-L126 VanDerWaalsContact O-CG 3.25Å; S122-L126 WeakPolarHBondContact O-CG 3.46Å; S122-L126 PolarHBondContact O-N 3.18Å; S122-L126 VanDerWaalsContact O-N 3.14Å; S122-H150 PolarHBondContact OG-CE1 3Å
123K93.7Very high92.5Very high121 Ų12150 Ų5053%0.52628%0.276SS..Hα-helixtrans-61.5-49.4179.7-66.3-171.7-178.3-177.10111.4S121 S127S121-K123 VanDerWaalsContact C-N 3.28Å; S121-K123 PolarHBondContact O-N 3.37Å; K123-S127 WeakPolarHBondContact O-CB 3.33Å; K123-S127 PolarHBondContact O-N 2.99Å; K123-S127 PolarHBondContact O-OG 2.74Å
124K95.8Very high92.5Very high110 Ų11049.9 Ų49.948%0.47827%0.273SS..Hα-helixtrans-66.6-48.2-172.9-66.2-179.8-178.3178.50111.8Y111 S121 S127 L128Y111-K124 HydrophobicContact CD1-CB 4.16Å; Y111-K124 HydrophobicContact CD1-CD 3.71Å; Y111-K124 HydrophobicContact CD2-CB 3.89Å; Y111-K124 HydrophobicContact CD2-CD 4.45Å; Y111-K124 HydrophobicContact CE1-CD 3.48Å; Y111-K124 VanDerWaalsContact CE1-CD 3.48Å; Y111-K124 HydrophobicContact CE2-CB 4.3Å; Y111-K124 HydrophobicContact CE2-CD 4.25Å; Y111-K124 HydrophobicContact CG-CB 3.81Å; Y111-K124 HydrophobicContact CG-CD 4.21Å; S121-K124 PolarHBondContact O-N 2.87Å; S121-K124 VanDerWaalsContact O-N 3.11Å; K124-S127 PolarHBondContact O-N 3.26Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 2.88Å; K124-L128 VanDerWaalsContact O-N 3.11Å
125Y96.6Very high92.6Very high0 Ų050.6 Ų50.60%028%0.278CS..Hα-helixtrans-66.8-43.7-178.995.6-103.5000110.6A108 F112 Y120 S121 S127 L128 V129 W143 L147 H150A108-Y125 WeakPolarHBondContact O-CB 3.44Å; F112-Y125 HydrophobicContact CD2-CD2 4.28Å; F112-Y125 HydrophobicContact CD2-CE2 4.24Å; Y120-Y125 HydrophobicContact CE2-CE1 4.42Å; S121-Y125 WeakPolarHBondContact O-CD1 3.08Å; S121-Y125 PolarHBondContact O-N 3.1Å; S121-Y125 VanDerWaalsContact O-N 3.09Å; Y125-S127 VanDerWaalsContact C-N 3.33Å; Y125-S127 PolarHBondContact O-N 3.5Å; Y125-L128 PolarHBondContact O-N 3.49Å; Y125-L128 VanDerWaalsContact O-N 3.17Å; Y125-V129 HydrophobicContact CD2-CG2 4.11Å; Y125-V129 VanDerWaalsContact O-CG2 3.29Å; Y125-V129 WeakPolarHBondContact O-CG2 3.34Å; Y125-V129 PolarHBondContact O-N 3.47Å; Y125-W143 HydrophobicContact CD2-CZ3 4.02Å; Y125-W143 HydrophobicContact CE2-CZ3 4.4Å; Y125-L147 HydrophobicContact CE2-CD2 3.7Å; Y125-H150 AromaticContact CE1-CE1 3.85Å; Y125-H150 AromaticContact CE1-ND1 3.71Å; Y125-H150 AromaticContact CZ-ND1 3.55Å; Y125-H150 PolarHBondContact OH-CE1 3.17Å; Y125-H150 PolarHBondContact OH-ND1 3.35Å
126L97.1Very high92.9Very high9 Ų946.9 Ų46.95%0.04725%0.251CS..Hα-helixtrans-63-38.1178.5-74.7170.8000112.4S122 V129 A130 L147 R164 Y165 I168S122-L126 VanDerWaalsContact O-CB 3.24Å; S122-L126 WeakPolarHBondContact O-CB 3.3Å; S122-L126 WeakPolarHBondContact O-CD1 3.27Å; S122-L126 VanDerWaalsContact O-CG 3.25Å; S122-L126 WeakPolarHBondContact O-CG 3.46Å; S122-L126 PolarHBondContact O-N 3.18Å; S122-L126 VanDerWaalsContact O-N 3.14Å; L126-V129 PolarHBondContact O-N 3.46Å; L126-A130 VanDerWaalsContact O-CB 3.3Å; L126-A130 WeakPolarHBondContact O-CB 3.24Å; L126-A130 PolarHBondContact O-N 3.24Å; L126-L147 HydrophobicContact CD2-CD2 3.82Å; L126-R164 HydrophobicContact CD1-CB 3.55Å; L126-R164 HydrophobicContact CD1-CG 4.49Å; L126-Y165 HydrophobicContact CD2-CD1 3.92Å; L126-Y165 HydrophobicContact CD2-CE1 3.46Å; L126-Y165 VanDerWaalsContact CD2-CE1 3.46Å; L126-I168 HydrophobicContact CB-CD1 3.63Å; L126-I168 HydrophobicContact CD1-CD1 4.35Å
127S97.4Very high93.5Very high60 Ų6045.6 Ų45.642%0.4223%0.232SC..Hα-helixtrans-64.2-40174.9-660000112.2K123 K124 Y125 A130 L131K123-S127 WeakPolarHBondContact O-CB 3.33Å; K123-S127 PolarHBondContact O-N 2.99Å; K123-S127 PolarHBondContact O-OG 2.74Å; K124-S127 PolarHBondContact O-N 3.26Å; Y125-S127 VanDerWaalsContact C-N 3.33Å; Y125-S127 PolarHBondContact O-N 3.5Å; S127-A130 PolarHBondContact O-N 2.86Å; S127-L131 WeakPolarHBondContact O-CB 3.34Å; S127-L131 PolarHBondContact O-N 3.04Å
128L97.7Very high93.8Very high36 Ų3645.5 Ų45.519%0.18823%0.231CC..Hα-helixtrans-68.8-39.1176-71165.9000112.1L104 L107 A108 Y111 K124 Y125 L131 A132L104-L128 HydrophobicContact CD2-CD2 3.99Å; L107-L128 HydrophobicContact CB-CD1 3.93Å; L107-L128 HydrophobicContact CB-CD2 4.4Å; A108-L128 HydrophobicContact CB-CB 3.75Å; A108-L128 HydrophobicContact CB-CD1 4.33Å; Y111-L128 HydrophobicContact CD2-CD1 3.89Å; Y111-L128 HydrophobicContact CE2-CD1 4.16Å; K124-L128 WeakPolarHBondContact O-CG 3.46Å; K124-L128 PolarHBondContact O-N 2.88Å; K124-L128 VanDerWaalsContact O-N 3.11Å; Y125-L128 PolarHBondContact O-N 3.49Å; Y125-L128 VanDerWaalsContact O-N 3.17Å; L128-L131 PolarHBondContact O-N 3.35Å; L128-A132 PolarHBondContact O-N 2.93Å
129V97.6Very high94.3Very high7 Ų736.3 Ų36.34%0.04219%0.191CC..Hα-helixtrans-64.6-44.3173.7174.30000110.9A108 Y125 L126 L131 A132 V133 W143A108-V129 HydrophobicContact CB-CG2 3.97Å; Y125-V129 HydrophobicContact CD2-CG2 4.11Å; Y125-V129 VanDerWaalsContact O-CG2 3.29Å; Y125-V129 WeakPolarHBondContact O-CG2 3.34Å; Y125-V129 PolarHBondContact O-N 3.47Å; L126-V129 PolarHBondContact O-N 3.46Å; V129-L131 VanDerWaalsContact C-N 3.32Å; V129-L131 PolarHBondContact O-N 3.2Å; V129-A132 WeakPolarHBondContact O-CB 3.12Å; V129-A132 PolarHBondContact O-N 3.01Å; V129-A132 VanDerWaalsContact O-N 3.13Å; V129-V133 HydrophobicContact CG1-CG2 4.49Å; V129-V133 WeakPolarHBondContact O-CG2 3.12Å; V129-V133 PolarHBondContact O-N 2.56Å; V129-W143 HydrophobicContact CB-CD2 4.44Å; V129-W143 HydrophobicContact CG1-CB 4.04Å; V129-W143 HydrophobicContact CG1-CD2 4.23Å; V129-W143 HydrophobicContact CG1-CG 3.85Å; V129-W143 HydrophobicContact CG2-CD2 3.32Å; V129-W143 VanDerWaalsContact CG2-CE2 3.48Å; V129-W143 HydrophobicContact CG2-CE3 3.56Å; V129-W143 HydrophobicContact CG2-CG 3.81Å; V129-W143 HydrophobicContact CG2-CH2 4.07Å; V129-W143 HydrophobicContact CG2-CZ2 3.89Å; V129-W143 HydrophobicContact CG2-CZ3 3.91Å
130A97.1Very high94.7Very high18 Ų1838.2 Ų38.215%0.14920%0.199CC..Hα-helixtrans-59.6-44.6175.900000110.9L126 S127 A132 V133 L134 I168 A172L126-A130 VanDerWaalsContact O-CB 3.3Å; L126-A130 WeakPolarHBondContact O-CB 3.24Å; L126-A130 PolarHBondContact O-N 3.24Å; S127-A130 PolarHBondContact O-N 2.86Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.14Å; A130-V133 PolarHBondContact O-N 2.87Å; A130-L134 WeakPolarHBondContact O-CG 2.99Å; A130-L134 PolarHBondContact O-N 3.46Å; A130-I168 HydrophobicContact CB-CG2 3.76Å; A130-A172 HydrophobicContact CB-CB 3.98Å
131L96.4Very high95Very high69 Ų6935.3 Ų35.336%0.36119%0.19SC..Hα-helixtrans-60.8-41.5174-177.760.1000112.1T20 L104 S127 L128 V129 V133 L134 V135T20-L131 HydrophobicContact CG2-CD1 4.49Å; L104-L131 HydrophobicContact CD1-CB 4.44Å; L104-L131 HydrophobicContact CD1-CD2 4.29Å; L104-L131 HydrophobicContact CD1-CG 3.94Å; L104-L131 HydrophobicContact CD2-CD2 3.77Å; L104-L131 HydrophobicContact CD2-CG 4.28Å; S127-L131 WeakPolarHBondContact O-CB 3.34Å; S127-L131 PolarHBondContact O-N 3.04Å; L128-L131 PolarHBondContact O-N 3.35Å; V129-L131 VanDerWaalsContact C-N 3.32Å; V129-L131 PolarHBondContact O-N 3.2Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 2.97Å; L131-L134 WeakPolarHBondContact O-CB 3.26Å; L131-L134 PolarHBondContact O-N 2.83Å; L131-V135 WeakPolarHBondContact O-CG2 3.42Å; L131-V135 PolarHBondContact O-N 3.42Å
132A96.3Very high95.1Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-61.7-42.5176.200000111.7L104 L128 V129 A130 V135 R136 A139L104-A132 HydrophobicContact CB-CB 3.9Å; L104-A132 HydrophobicContact CD1-CB 3.96Å; L128-A132 PolarHBondContact O-N 2.93Å; V129-A132 WeakPolarHBondContact O-CB 3.12Å; V129-A132 PolarHBondContact O-N 3.01Å; V129-A132 VanDerWaalsContact O-N 3.13Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 3.14Å; A132-V135 PolarHBondContact O-N 3.36Å; A132-R136 CarbonylContact O-C 3.12Å; A132-R136 PolarHBondContact O-N 2.9Å; A132-R136 VanDerWaalsContact O-O 3.08Å; A132-A139 HydrophobicContact CB-CB 3.86Å
133V95.1Very high95.4Very high38 Ų3833.2 Ų33.223%0.2318%0.175CC..Hα-helixtrans-65.3-36.7175.8172.50000111.8V129 A130 L131 R136 P137 A139 L140V129-V133 HydrophobicContact CG1-CG2 4.49Å; V129-V133 WeakPolarHBondContact O-CG2 3.12Å; V129-V133 PolarHBondContact O-N 2.56Å; A130-V133 PolarHBondContact O-N 2.87Å; L131-V133 VanDerWaalsContact C-N 3.34Å; L131-V133 PolarHBondContact O-N 2.97Å; V133-R136 WeakPolarHBondContact CA-O 3.29Å; V133-R136 CarbonylContact O-C 3.6Å; V133-R136 PolarHBondContact O-N 2.69Å; V133-P137 WeakPolarHBondContact O-CA 3.36Å; V133-P137 VanDerWaalsContact O-N 3.12Å; V133-A139 HydrophobicContact CG2-CB 4.2Å; V133-L140 HydrophobicContact CG2-CB 4.2Å
134L93.5Very high95.6Very high19 Ų1931.5 Ų31.510%0.09917%0.168CC..Hα-helixtrans-63.8-45.1174.2-70.7-173.9000112.1A130 L131 R136 A172A130-L134 WeakPolarHBondContact O-CG 2.99Å; A130-L134 PolarHBondContact O-N 3.46Å; L131-L134 WeakPolarHBondContact O-CB 3.26Å; L131-L134 PolarHBondContact O-N 2.83Å; L134-R136 VanDerWaalsContact C-N 3.33Å; L134-A172 HydrophobicContact CD1-CB 3.87Å; L134-A172 WeakPolarHBondContact CD1-O 3.3Å; L134-A172 HydrophobicContact CD2-CB 4.21Å; L134-A172 HydrophobicContact CG-CB 4.1Å
135V92.3Very high95.7Very high24 Ų2427.3 Ų27.315%0.14515%0.152CC..Hα-helixtrans-66.3-40.3176.6174.10000110.4F21 T97 A100 L104 L131 A132F21-V135 HydrophobicContact CB-CG1 3.96Å; F21-V135 HydrophobicContact CB-CG2 4.12Å; F21-V135 HydrophobicContact CD1-CG1 4.37Å; F21-V135 HydrophobicContact CD2-CG1 4.39Å; F21-V135 HydrophobicContact CG-CG1 4.01Å; T97-V135 HydrophobicContact CG2-CG1 4.12Å; A100-V135 HydrophobicContact CB-CG1 4.14Å; L104-V135 HydrophobicContact CD1-CG2 4.45Å; L131-V135 WeakPolarHBondContact O-CG2 3.42Å; L131-V135 PolarHBondContact O-N 3.42Å; A132-V135 PolarHBondContact O-N 3.36Å
136R91.4Very high95.7Very high24 Ų2427.3 Ų27.39%0.09115%0.152CC..  trans-152.7110.6-178.8-161-179.3173.5100.22.2111.3T97 N98 E101 A132 V133 L134 T138 A139 F266T97-R136 PolarHBondContact OG1-NH1 2.92Å; T97-R136 VanDerWaalsContact OG1-NH1 3.14Å; N98-R136 VanDerWaalsContact ND2-CZ 3.31Å; N98-R136 PolarHBondContact ND2-NE 3.11Å; N98-R136 PolarHBondContact OD1-NH1 3.38Å; N98-R136 VanDerWaalsContact OD1-NH1 3.13Å; E101-R136 WeakPolarHBondContact OE2-CD 3.4Å; E101-R136 IonicContact OE2-NE 3.34Å; A132-R136 CarbonylContact O-C 3.12Å; A132-R136 PolarHBondContact O-N 2.9Å; A132-R136 VanDerWaalsContact O-O 3.08Å; V133-R136 WeakPolarHBondContact CA-O 3.29Å; V133-R136 CarbonylContact O-C 3.6Å; V133-R136 PolarHBondContact O-N 2.69Å; L134-R136 VanDerWaalsContact C-N 3.33Å; R136-T138 VanDerWaalsContact CD-OG1 3.26Å; R136-T138 WeakPolarHBondContact CD-OG1 3.22Å; R136-T138 WeakPolarHBondContact CG-OG1 3.44Å; R136-T138 PolarHBondContact NE-OG1 3.38Å; R136-T138 PolarHBondContact O-N 2.9Å; R136-A139 VanDerWaalsContact O-CB 3.29Å; R136-A139 WeakPolarHBondContact O-CB 3.46Å; R136-A139 PolarHBondContact O-N 3.29Å; R136-F266 VanDerWaalsContact NH2-CD1 3.3Å
137P91.9Very high95.7Very high29 Ų2927.5 Ų27.519%0.18815%0.153CC..THydrogen-bonded Turntrans-56.8-27.2-178.4-30.437.4000114.7V133 A139 L140 Q191 F194V133-P137 WeakPolarHBondContact O-CA 3.36Å; V133-P137 VanDerWaalsContact O-N 3.12Å; P137-A139 PolarHBondContact O-N 3.09Å; P137-L140 PolarHBondContact O-N 2.82Å; P137-Q191 HydrophobicContact CG-CB 4.35Å; P137-Q191 HydrophobicContact CG-CG 4.16Å; P137-F194 HydrophobicContact CB-CD1 3.93Å; P137-F194 HydrophobicContact CB-CE1 4.19Å; P137-F194 HydrophobicContact CG-CB 4.36Å; P137-F194 HydrophobicContact CG-CD1 3.77Å; P137-F194 HydrophobicContact CG-CE1 4.32Å; P137-F194 HydrophobicContact CG-CG 4.05Å
138T92Very high95.6Very high19 Ų1927.1 Ų27.112%0.11715%0.145CC..THydrogen-bonded Turntrans-66.1-14.8178.164.30000114R136 L140 I141 F194 Y256R136-T138 VanDerWaalsContact CD-OG1 3.26Å; R136-T138 WeakPolarHBondContact CD-OG1 3.22Å; R136-T138 WeakPolarHBondContact CG-OG1 3.44Å; R136-T138 PolarHBondContact NE-OG1 3.38Å; R136-T138 PolarHBondContact O-N 2.9Å; T138-L140 PolarHBondContact O-N 3.31Å; T138-L140 VanDerWaalsContact O-N 3.08Å; T138-I141 VanDerWaalsContact O-CB 3.27Å; T138-I141 WeakPolarHBondContact O-CB 3.43Å; T138-I141 WeakPolarHBondContact O-CG1 3.35Å; T138-I141 PolarHBondContact O-N 3.36Å; T138-F194 HydrophobicContact CG2-CE1 4.24Å; T138-F194 HydrophobicContact CG2-CZ 4.26Å; T138-Y256 WeakPolarHBondContact CB-OH 3.28Å; T138-Y256 PolarHBondContact OG1-OH 3.36Å
139A95.4Very high95.5Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-56.5-26.8174.200000112.2E101 A132 V133 R136 P137 I141 V142 W143E101-A139 HydrophobicContact CG-CB 3.93Å; E101-A139 WeakPolarHBondContact OE1-CA 3.14Å; E101-A139 PolarHBondContact OE1-N 3.02Å; A132-A139 HydrophobicContact CB-CB 3.86Å; V133-A139 HydrophobicContact CG2-CB 4.2Å; R136-A139 VanDerWaalsContact O-CB 3.29Å; R136-A139 WeakPolarHBondContact O-CB 3.46Å; R136-A139 PolarHBondContact O-N 3.29Å; P137-A139 PolarHBondContact O-N 3.09Å; A139-I141 PolarHBondContact O-N 3.11Å; A139-V142 PolarHBondContact O-N 2.88Å; A139-W143 PolarHBondContact O-N 3.38Å; A139-W143 VanDerWaalsContact O-N 3.12Å
140L95.6Very high95.3Very high82 Ų8226.2 Ų26.243%0.42914%0.142SC..Hα-helixtrans-62.9-29.4175.2-170.762000112.4V133 P137 T138 V142 W143 F144 L147V133-L140 HydrophobicContact CG2-CB 4.2Å; P137-L140 PolarHBondContact O-N 2.82Å; T138-L140 PolarHBondContact O-N 3.31Å; T138-L140 VanDerWaalsContact O-N 3.08Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-V142 PolarHBondContact O-N 3.04Å; L140-W143 PolarHBondContact O-N 3.44Å; L140-F144 WeakPolarHBondContact O-CA 3.45Å; L140-F144 WeakPolarHBondContact O-CB 3.35Å; L140-F144 PolarHBondContact O-N 2.79Å; L140-L147 HydrophobicContact CD1-CD1 3.92Å
141I96.3Very high95.1Very high33 Ų3327.7 Ų27.717%0.16915%0.145CC..Hα-helixtrans-59.6-48.1177.2-63.2171.8000109.8T138 A139 W251 V255 Y256T138-I141 VanDerWaalsContact O-CB 3.27Å; T138-I141 WeakPolarHBondContact O-CB 3.43Å; T138-I141 WeakPolarHBondContact O-CG1 3.35Å; T138-I141 PolarHBondContact O-N 3.36Å; A139-I141 PolarHBondContact O-N 3.11Å; I141-W251 PolarHBondContact O-NE1 3.33Å; I141-V255 HydrophobicContact CD1-CG1 3.97Å; I141-V255 HydrophobicContact CG1-CG1 4.19Å; I141-V255 HydrophobicContact CG2-CB 3.85Å; I141-V255 HydrophobicContact CG2-CG1 3.75Å; I141-V255 HydrophobicContact CG2-CG2 4.34Å; I141-Y256 HydrophobicContact CD1-CE1 4.08Å; I141-Y256 HydrophobicContact CD1-CE2 4.35Å; I141-Y256 HydrophobicContact CG2-CD2 4.49Å; I141-Y256 HydrophobicContact CG2-CE2 4.24Å
142V97.2Very high95Very high0 Ų033.1 Ų33.10%016%0.161CC..Hα-helixtrans-68.1-41.4179.3179.60000110.6T105 A139 L140 T248 T252 P269 V270 F273T105-V142 HydrophobicContact CG2-CG1 4.36Å; A139-V142 PolarHBondContact O-N 2.88Å; L140-V142 VanDerWaalsContact C-N 3.34Å; L140-V142 PolarHBondContact O-N 3.04Å; V142-T248 HydrophobicContact CG1-CG2 4.23Å; V142-T248 WeakPolarHBondContact O-CG2 3.41Å; V142-T252 HydrophobicContact CG2-CG2 3.89Å; V142-P269 HydrophobicContact CG2-CB 4.14Å; V142-V270 HydrophobicContact CG1-CG1 3.89Å; V142-V270 HydrophobicContact CG2-CG1 4.13Å; V142-F273 HydrophobicContact CG1-CE2 4.13Å; V142-F273 HydrophobicContact CG1-CZ 4.24Å
143W97.8Very high94.7Very high0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-79.4-18.6-176.5-82.393.1000114.3T105 A108 F112 Y125 V129 A139 L140 L146 L147T105-W143 HydrophobicContact CG2-CZ2 4.09Å; T105-W143 PolarHBondContact OG1-NE1 3.29Å; A108-W143 HydrophobicContact CB-CH2 3.56Å; A108-W143 HydrophobicContact CB-CZ2 3.29Å; F112-W143 HydrophobicContact CB-CH2 4.4Å; F112-W143 HydrophobicContact CB-CZ3 4.45Å; F112-W143 HydrophobicContact CD2-CH2 4.47Å; F112-W143 AromaticContact CD2-CZ3 3.72Å; F112-W143 HydrophobicContact CD2-CZ3 3.72Å; F112-W143 HydrophobicContact CE2-CZ3 4.37Å; F112-W143 HydrophobicContact CG-CZ3 4.22Å; Y125-W143 HydrophobicContact CD2-CZ3 4.02Å; Y125-W143 HydrophobicContact CE2-CZ3 4.4Å; V129-W143 HydrophobicContact CB-CD2 4.44Å; V129-W143 HydrophobicContact CG1-CB 4.04Å; V129-W143 HydrophobicContact CG1-CD2 4.23Å; V129-W143 HydrophobicContact CG1-CG 3.85Å; V129-W143 HydrophobicContact CG2-CD2 3.32Å; V129-W143 VanDerWaalsContact CG2-CE2 3.48Å; V129-W143 HydrophobicContact CG2-CE3 3.56Å; V129-W143 HydrophobicContact CG2-CG 3.81Å; V129-W143 HydrophobicContact CG2-CH2 4.07Å; V129-W143 HydrophobicContact CG2-CZ2 3.89Å; V129-W143 HydrophobicContact CG2-CZ3 3.91Å; A139-W143 PolarHBondContact O-N 3.38Å; A139-W143 VanDerWaalsContact O-N 3.12Å; L140-W143 PolarHBondContact O-N 3.44Å; W143-L146 HydrophobicContact CD2-CD1 4.19Å; W143-L146 HydrophobicContact CE3-CB 3.9Å; W143-L146 HydrophobicContact CE3-CD1 3.78Å; W143-L146 HydrophobicContact CE3-CG 4.49Å; W143-L146 HydrophobicContact CH2-CD1 4.19Å; W143-L146 HydrophobicContact CZ3-CB 4.17Å; W143-L146 HydrophobicContact CZ3-CD1 3.81Å; W143-L146 WeakPolarHBondContact O-CB 3.4Å; W143-L146 PolarHBondContact O-N 3.22Å; W143-L146 VanDerWaalsContact O-N 3.11Å; W143-L147 HydrophobicContact CB-CD1 4.14Å; W143-L147 HydrophobicContact CB-CG 4.23Å; W143-L147 HydrophobicContact CE3-CD2 4.49Å; W143-L147 WeakPolarHBondContact O-CB 3.23Å; W143-L147 VanDerWaalsContact O-CG 3.27Å; W143-L147 WeakPolarHBondContact O-CG 3.5Å; W143-L147 PolarHBondContact O-N 3.38Å
144F97.6Very high94.5Very high85 Ų8539.8 Ų39.837%0.37319%0.189SC..Hα-helixtrans-55.3-51.8-174178.8-96000113.4L140 L146 L147 M148 W251L140-F144 WeakPolarHBondContact O-CA 3.45Å; L140-F144 WeakPolarHBondContact O-CB 3.35Å; L140-F144 PolarHBondContact O-N 2.79Å; F144-L146 VanDerWaalsContact C-N 3.29Å; F144-L146 PolarHBondContact O-N 3.22Å; F144-L147 PolarHBondContact O-N 3.5Å; F144-M148 HydrophobicContact CD1-CG 4.31Å; F144-M148 HydrophobicContact CD2-CG 4.24Å; F144-M148 HydrophobicContact CE1-CG 3.99Å; F144-M148 HydrophobicContact CE2-CE 4.25Å; F144-M148 HydrophobicContact CE2-CG 3.91Å; F144-M148 HydrophobicContact CE2-SD 4.11Å; F144-M148 HydrophobicContact CG-CG 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.78Å; F144-M148 HydrophobicContact CZ-SD 4.2Å; F144-M148 WeakPolarHBondContact O-CB 3.46Å; F144-M148 VanDerWaalsContact O-CG 3.25Å; F144-M148 WeakPolarHBondContact O-CG 3.43Å; F144-M148 PolarHBondContact O-N 2.99Å; F144-W251 AromaticContact CD1-CE2 3.84Å; F144-W251 HydrophobicContact CD1-CH2 4.02Å; F144-W251 AromaticContact CD1-CZ2 3.47Å; F144-W251 HydrophobicContact CD1-CZ2 3.47Å; F144-W251 VanDerWaalsContact CD1-CZ2 3.47Å; F144-W251 AromaticContact CE1-CH2 3.99Å; F144-W251 HydrophobicContact CE1-CH2 3.99Å; F144-W251 AromaticContact CE1-CZ2 3.91Å; F144-W251 HydrophobicContact CE1-CZ2 3.91Å; F144-W251 HydrophobicContact CG-CZ2 4.24Å
145P97.6Very high94.3Very high21 Ų2148.2 Ų48.214%0.13623%0.228CC..Hα-helixtrans-61.3-37.3178.1-23.235.6000112.9C149 T248 W251P145-C149 VanDerWaalsContact O-CB 3.23Å; P145-C149 WeakPolarHBondContact O-CB 3.42Å; P145-C149 PolarHBondContact O-N 3.42Å; P145-T248 HydrophobicContact CG-CG2 4.36Å; P145-W251 HydrophobicContact CG-CB 3.76Å; P145-W251 HydrophobicContact CG-CD2 4.02Å; P145-W251 HydrophobicContact CG-CG 3.4Å; P145-W251 VanDerWaalsContact CG-CG 3.4Å
146L96.9Very high94.3Very high0 Ų050.7 Ų50.70%024%0.241CC..Hα-helixtrans-68.5-45.6179.3-62.7173.7000111.7F112 W143 F144 C149 H150 I244 L245 T248 F273F112-L146 HydrophobicContact CD1-CD2 4.47Å; F112-L146 HydrophobicContact CD2-CB 4.48Å; F112-L146 HydrophobicContact CE1-CB 4.42Å; F112-L146 HydrophobicContact CE1-CD2 3.87Å; F112-L146 HydrophobicContact CE2-CB 3.8Å; F112-L146 WeakPolarHBondContact CE2-O 3.34Å; F112-L146 HydrophobicContact CZ-CB 3.78Å; F112-L146 HydrophobicContact CZ-CD2 4.02Å; F112-L146 HydrophobicContact CZ-CG 4.49Å; F112-L146 VanDerWaalsContact CZ-O 3.27Å; F112-L146 WeakPolarHBondContact CZ-O 3.22Å; W143-L146 HydrophobicContact CD2-CD1 4.19Å; W143-L146 HydrophobicContact CE3-CB 3.9Å; W143-L146 HydrophobicContact CE3-CD1 3.78Å; W143-L146 HydrophobicContact CE3-CG 4.49Å; W143-L146 HydrophobicContact CH2-CD1 4.19Å; W143-L146 HydrophobicContact CZ3-CB 4.17Å; W143-L146 HydrophobicContact CZ3-CD1 3.81Å; W143-L146 WeakPolarHBondContact O-CB 3.4Å; W143-L146 PolarHBondContact O-N 3.22Å; W143-L146 VanDerWaalsContact O-N 3.11Å; F144-L146 VanDerWaalsContact C-N 3.29Å; F144-L146 PolarHBondContact O-N 3.22Å; L146-C149 WeakPolarHBondContact O-CB 3.41Å; L146-C149 PolarHBondContact O-N 2.82Å; L146-H150 PolarHBondContact O-N 3.09Å; L146-I244 HydrophobicContact CD2-CG1 3.82Å; L146-L245 HydrophobicContact CD2-CD2 4.18Å; L146-T248 HydrophobicContact CD1-CG2 4.39Å; L146-T248 HydrophobicContact CG-CG2 4.27Å; L146-F273 HydrophobicContact CD1-CE2 4.18Å; L146-F273 HydrophobicContact CD1-CZ 4.18Å
147L96.5Very high94.4Very high13 Ų1354 Ų547%0.06826%0.256CS..Hα-helixtrans-62.7-43.3177.1-68177.1000111.3Y125 L126 L140 W143 F144 H150 F151 Y165Y125-L147 HydrophobicContact CE2-CD2 3.7Å; L126-L147 HydrophobicContact CD2-CD2 3.82Å; L140-L147 HydrophobicContact CD1-CD1 3.92Å; W143-L147 HydrophobicContact CB-CD1 4.14Å; W143-L147 HydrophobicContact CB-CG 4.23Å; W143-L147 HydrophobicContact CE3-CD2 4.49Å; W143-L147 WeakPolarHBondContact O-CB 3.23Å; W143-L147 VanDerWaalsContact O-CG 3.27Å; W143-L147 WeakPolarHBondContact O-CG 3.5Å; W143-L147 PolarHBondContact O-N 3.38Å; F144-L147 PolarHBondContact O-N 3.5Å; L147-H150 PolarHBondContact O-N 3Å; L147-F151 VanDerWaalsContact O-CB 3.32Å; L147-F151 WeakPolarHBondContact O-CB 3.49Å; L147-F151 PolarHBondContact O-N 3.12Å; L147-Y165 HydrophobicContact CD2-CE1 4.05Å
148M95.8Very high94.4Very high52 Ų5258.9 Ų58.926%0.25628%0.279SS..Hα-helixtrans-65.5-41.9176.7-66.9-60102.800111.4F144 H150 F151 W152F144-M148 HydrophobicContact CD1-CG 4.31Å; F144-M148 HydrophobicContact CD2-CG 4.24Å; F144-M148 HydrophobicContact CE1-CG 3.99Å; F144-M148 HydrophobicContact CE2-CE 4.25Å; F144-M148 HydrophobicContact CE2-CG 3.91Å; F144-M148 HydrophobicContact CE2-SD 4.11Å; F144-M148 HydrophobicContact CG-CG 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.78Å; F144-M148 HydrophobicContact CZ-SD 4.2Å; F144-M148 WeakPolarHBondContact O-CB 3.46Å; F144-M148 VanDerWaalsContact O-CG 3.25Å; F144-M148 WeakPolarHBondContact O-CG 3.43Å; F144-M148 PolarHBondContact O-N 2.99Å; M148-H150 PolarHBondContact O-N 3.33Å; M148-F151 PolarHBondContact O-N 3.38Å; M148-W152 HydrophobicContact CB-CE3 3.88Å; M148-W152 HydrophobicContact CB-CH2 3.77Å; M148-W152 HydrophobicContact CB-CZ3 3.39Å; M148-W152 HydrophobicContact CG-CH2 4.33Å; M148-W152 HydrophobicContact CG-CZ3 4.4Å; M148-W152 PolarHBondContact O-N 3.44Å
149C94.3Very high94.4Very high23 Ų2365.2 Ų65.216%0.15530%0.301CS..Hα-helixtrans-57.6-48.5175.4-177.70000112.1P145 L146 W152 Q153 I244P145-C149 VanDerWaalsContact O-CB 3.23Å; P145-C149 WeakPolarHBondContact O-CB 3.42Å; P145-C149 PolarHBondContact O-N 3.42Å; L146-C149 WeakPolarHBondContact O-CB 3.41Å; L146-C149 PolarHBondContact O-N 2.82Å; C149-W152 PolarHBondContact O-N 2.92Å; C149-Q153 VanDerWaalsContact O-CG 3.29Å; C149-Q153 WeakPolarHBondContact O-CG 3.47Å; C149-Q153 PolarHBondContact O-N 3.32Å; C149-Q153 VanDerWaalsContact O-N 3.13Å; C149-Q153 PolarHBondContact SG-NE2 3.49Å; C149-Q153 VanDerWaalsContact SG-NE2 3.37Å; C149-I244 HydrophobicContact CB-CD1 3.63Å; C149-I244 HydrophobicContact CB-CG1 4.03Å
150H94Very high94.2Very high2 Ų265.5 Ų65.51%0.00930%0.303CS..Hα-helixtrans-65.5-40.1176.4177.4-142.3000112.2F112 P113 Y120 S122 Y125 L146 L147 M148 W152 Q153 E154F112-H150 HydrophobicContact CE2-CB 4.01Å; F112-H150 HydrophobicContact CZ-CB 4.32Å; P113-H150 HydrophobicContact CG-CB 4.22Å; Y120-H150 AromaticContact CZ-NE2 3.83Å; Y120-H150 PolarHBondContact OH-CE1 3.33Å; Y120-H150 PolarHBondContact OH-NE2 2.96Å; S122-H150 PolarHBondContact OG-CE1 3Å; Y125-H150 AromaticContact CE1-CE1 3.85Å; Y125-H150 AromaticContact CE1-ND1 3.71Å; Y125-H150 AromaticContact CZ-ND1 3.55Å; Y125-H150 PolarHBondContact OH-CE1 3.17Å; Y125-H150 PolarHBondContact OH-ND1 3.35Å; L146-H150 PolarHBondContact O-N 3.09Å; L147-H150 PolarHBondContact O-N 3Å; M148-H150 PolarHBondContact O-N 3.33Å; H150-W152 VanDerWaalsContact C-N 3.29Å; H150-W152 PolarHBondContact O-N 3.33Å; H150-Q153 PolarHBondContact O-N 3.13Å; H150-E154 IonicContact NE2-OE2 3.51Å; H150-E154 PolarHBondContact NE2-OE2 3.29Å; H150-E154 PolarHBondContact O-N 3.49Å
151F94.3Very high94.1Very high49 Ų4964.6 Ų64.622%0.21530%0.298CS..Hα-helixtrans-60.3-37.2176.3178.4-101.4000113.1L147 M148 K157 L160 I161L147-F151 VanDerWaalsContact O-CB 3.32Å; L147-F151 WeakPolarHBondContact O-CB 3.49Å; L147-F151 PolarHBondContact O-N 3.12Å; M148-F151 PolarHBondContact O-N 3.38Å; F151-K157 HydrophobicContact CE1-CD 4.24Å; F151-K157 HydrophobicContact CE2-CB 3.81Å; F151-K157 HydrophobicContact CE2-CD 4.37Å; F151-K157 HydrophobicContact CE2-CG 4Å; F151-K157 HydrophobicContact CZ-CB 4.05Å; F151-K157 HydrophobicContact CZ-CD 3.89Å; F151-K157 HydrophobicContact CZ-CG 4.04Å; F151-L160 HydrophobicContact CD2-CD2 4.32Å; F151-I161 HydrophobicContact CE2-CD1 3.71Å; F151-I161 HydrophobicContact CE2-CG1 4.05Å; F151-I161 HydrophobicContact CZ-CD1 4.28Å
152W92.9Very high93.9Very high182 Ų18266.3 Ų66.369%0.68931%0.31SS*.Hα-helixtrans-76.6-26.5176.5-75.7-53.3000113.9M148 C149 H150M148-W152 HydrophobicContact CB-CE3 3.88Å; M148-W152 HydrophobicContact CB-CH2 3.77Å; M148-W152 HydrophobicContact CB-CZ3 3.39Å; M148-W152 HydrophobicContact CG-CH2 4.33Å; M148-W152 HydrophobicContact CG-CZ3 4.4Å; M148-W152 PolarHBondContact O-N 3.44Å; C149-W152 PolarHBondContact O-N 2.92Å; H150-W152 VanDerWaalsContact C-N 3.29Å; H150-W152 PolarHBondContact O-N 3.33Å
153Q90.1Very high93.6Very high111 Ų11172 Ų7252%0.51934%0.336SS..Hα-helixtrans-78.3-27.8176.7-73.1171.7-2.200112.7C149 H150C149-Q153 VanDerWaalsContact O-CG 3.29Å; C149-Q153 WeakPolarHBondContact O-CG 3.47Å; C149-Q153 PolarHBondContact O-N 3.32Å; C149-Q153 VanDerWaalsContact O-N 3.13Å; C149-Q153 PolarHBondContact SG-NE2 3.49Å; C149-Q153 VanDerWaalsContact SG-NE2 3.37Å; H150-Q153 PolarHBondContact O-N 3.13Å
154E91.3Very high93.4Very high67 Ų6775.5 Ų75.531%0.31335%0.349SS..  trans-76.2128.2-178.4-16374.7-167.100111.5H150 L160H150-E154 IonicContact NE2-OE2 3.51Å; H150-E154 PolarHBondContact NE2-OE2 3.29Å; H150-E154 PolarHBondContact O-N 3.49Å; E154-L160 HydrophobicContact CB-CD2 3.89Å; E154-L160 HydrophobicContact CG-CB 4.23Å; E154-L160 HydrophobicContact CG-CD2 4.03Å
155E90.1Very high93.1Very high196 Ų19674.2 Ų74.292%0.91634%0.343SS*.SBendtrans-70-47.5177.5-63.7-176.3173.800111.4K157E155-K157 PolarHBondContact O-N 2.93Å
156D92.1Very high93Very high77 Ų7777.2 Ų77.241%0.41236%0.357SS..  trans-9375.2-179.1-168.8-10.6000111.9L158 R159 L160D156-L158 VanDerWaalsContact C-N 3.29Å; D156-L158 PolarHBondContact O-N 3.13Å; D156-R159 HydrophobicContact CB-CB 4.11Å; D156-R159 PolarHBondContact O-N 2.91Å; D156-R159 VanDerWaalsContact OD1-CB 3.24Å; D156-R159 WeakPolarHBondContact OD1-CB 3.38Å; D156-R159 PolarHBondContact OD1-N 2.68Å; D156-R159 WeakPolarHBondContact OD2-CB 3.49Å; D156-R159 WeakPolarHBondContact OD2-CD 3.43Å; D156-L160 PolarHBondContact O-N 3.47Å; D156-L160 VanDerWaalsContact O-N 3.07Å
157K92.8Very high92.9Very high93 Ų9380.1 Ų80.140%0.40438%0.375SS..Hα-helixtrans-58.9-39.5-179.7-64.7172.2-174.6168.70112.6F151 E155 L160 I161F151-K157 HydrophobicContact CE1-CD 4.24Å; F151-K157 HydrophobicContact CE2-CB 3.81Å; F151-K157 HydrophobicContact CE2-CD 4.37Å; F151-K157 HydrophobicContact CE2-CG 4Å; F151-K157 HydrophobicContact CZ-CB 4.05Å; F151-K157 HydrophobicContact CZ-CD 3.89Å; F151-K157 HydrophobicContact CZ-CG 4.04Å; E155-K157 PolarHBondContact O-N 2.93Å; K157-L160 PolarHBondContact O-N 2.97Å; K157-I161 WeakPolarHBondContact O-CG1 3.49Å; K157-I161 PolarHBondContact O-N 3.34Å
158L91.8Very high92.9Very high131 Ų13180.8 Ų80.869%0.68638%0.378SS*.Hα-helixtrans-65.8-45.4-178.6-72.5175.5000110.6D156 L160 I161 T162D156-L158 VanDerWaalsContact C-N 3.29Å; D156-L158 PolarHBondContact O-N 3.13Å; L158-L160 PolarHBondContact O-N 3.31Å; L158-I161 PolarHBondContact O-N 3.26Å; L158-T162 WeakPolarHBondContact O-CB 3.47Å; L158-T162 WeakPolarHBondContact O-CG2 3.34Å; L158-T162 PolarHBondContact O-N 3.04Å; L158-T162 PolarHBondContact O-OG1 3.25Å
159R91.6Very high92.9Very high152 Ų15279.7 Ų79.757%0.57438%0.38SS*.Hα-helixtrans-63-41176-174.4-178-175.5-171.92112.2D156 T162 H163D156-R159 HydrophobicContact CB-CB 4.11Å; D156-R159 PolarHBondContact O-N 2.91Å; D156-R159 VanDerWaalsContact OD1-CB 3.24Å; D156-R159 WeakPolarHBondContact OD1-CB 3.38Å; D156-R159 PolarHBondContact OD1-N 2.68Å; D156-R159 WeakPolarHBondContact OD2-CB 3.49Å; D156-R159 WeakPolarHBondContact OD2-CD 3.43Å; R159-T162 WeakPolarHBondContact CA-OG1 3.39Å; R159-T162 PolarHBondContact O-OG1 3.11Å; R159-H163 VanDerWaalsContact O-CB 3.27Å; R159-H163 WeakPolarHBondContact O-CB 3.44Å; R159-H163 PolarHBondContact O-N 3.41Å
160L91.8Very high92.9Very high7 Ų783 Ų834%0.03740%0.396CS..Hα-helixtrans-60.2-45.9176.2179.961.7000111.4F151 E154 D156 K157 L158 R164 Y165F151-L160 HydrophobicContact CD2-CD2 4.32Å; E154-L160 HydrophobicContact CB-CD2 3.89Å; E154-L160 HydrophobicContact CG-CB 4.23Å; E154-L160 HydrophobicContact CG-CD2 4.03Å; D156-L160 PolarHBondContact O-N 3.47Å; D156-L160 VanDerWaalsContact O-N 3.07Å; K157-L160 PolarHBondContact O-N 2.97Å; L158-L160 PolarHBondContact O-N 3.31Å; L160-R164 HydrophobicContact CD1-CB 4.1Å; L160-R164 HydrophobicContact CD1-CG 3.91Å; L160-R164 WeakPolarHBondContact O-CA 3.37Å; L160-R164 WeakPolarHBondContact O-CB 3.36Å; L160-R164 PolarHBondContact O-N 3.04Å; L160-R164 VanDerWaalsContact O-N 3.1Å; L160-Y165 HydrophobicContact CD1-CD2 4.38Å; L160-Y165 HydrophobicContact CD1-CE2 4.1Å; L160-Y165 HydrophobicContact CD2-CE2 3.82Å; L160-Y165 HydrophobicContact CG-CD2 3.9Å; L160-Y165 HydrophobicContact CG-CE2 3.63Å; L160-Y165 PolarHBondContact O-N 3.47Å; L160-Y165 VanDerWaalsContact O-N 3.14Å
161I92.9Very high93Very high62 Ų6288 Ų8832%0.31842%0.422SS..Iπ-helixtrans-64.6-56.9177.8-68.2167.8000110.9F151 K157 L158 Y165 I166F151-I161 HydrophobicContact CE2-CD1 3.71Å; F151-I161 HydrophobicContact CE2-CG1 4.05Å; F151-I161 HydrophobicContact CZ-CD1 4.28Å; K157-I161 WeakPolarHBondContact O-CG1 3.49Å; K157-I161 PolarHBondContact O-N 3.34Å; L158-I161 PolarHBondContact O-N 3.26Å; I161-Y165 HydrophobicContact CG1-CD2 4.5Å; I161-Y165 PolarHBondContact O-N 2.82Å; I161-I166 HydrophobicContact CG2-CD1 3.72Å; I161-I166 HydrophobicContact CG2-CG1 3.99Å; I161-I166 PolarHBondContact O-N 3.24Å
162T92.3Very high93Very high69 Ų6986.2 Ų86.242%0.42342%0.417SS..Iπ-helixtrans-69.3-37.2-171.2530000113.9L158 R159 P167L158-T162 WeakPolarHBondContact O-CB 3.47Å; L158-T162 WeakPolarHBondContact O-CG2 3.34Å; L158-T162 PolarHBondContact O-N 3.04Å; L158-T162 PolarHBondContact O-OG1 3.25Å; R159-T162 WeakPolarHBondContact CA-OG1 3.39Å; R159-T162 PolarHBondContact O-OG1 3.11Å; T162-P167 WeakPolarHBondContact O-CD 3.39Å; T162-P167 WeakPolarHBondContact O-CG 3.5Å
163H91.8Very high93Very high120 Ų12080.7 Ų80.756%0.55640%0.403SS*.Iπ-helixtrans-101.2-13.1-175.6-65.798.7000114R159R159-H163 VanDerWaalsContact O-CB 3.27Å; R159-H163 WeakPolarHBondContact O-CB 3.44Å; R159-H163 PolarHBondContact O-N 3.41Å
164R92.7Very high93.2Very high74 Ų7480 Ų8028%0.27940%0.402SS..Iπ-helixtrans-119.9-65.1179.9-47.8-63.4-164.7-1433.6112.3L126 L160 I168L126-R164 HydrophobicContact CD1-CB 3.55Å; L126-R164 HydrophobicContact CD1-CG 4.49Å; L160-R164 HydrophobicContact CD1-CB 4.1Å; L160-R164 HydrophobicContact CD1-CG 3.91Å; L160-R164 WeakPolarHBondContact O-CA 3.37Å; L160-R164 WeakPolarHBondContact O-CB 3.36Å; L160-R164 PolarHBondContact O-N 3.04Å; L160-R164 VanDerWaalsContact O-N 3.1Å; R164-I168 VanDerWaalsContact O-CB 3.26Å; R164-I168 WeakPolarHBondContact O-CB 3.48Å; R164-I168 WeakPolarHBondContact O-CD1 3.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.17Å; R164-I168 PolarHBondContact O-N 3.39Å
165Y92.9Very high93.3Very high58 Ų5880.5 Ų80.523%0.22741%0.406CS..Iπ-helixtrans-62.5-53.4-173.6-78.4-78.6000112.5L126 L147 L160 I161 G169L126-Y165 HydrophobicContact CD2-CD1 3.92Å; L126-Y165 HydrophobicContact CD2-CE1 3.46Å; L126-Y165 VanDerWaalsContact CD2-CE1 3.46Å; L147-Y165 HydrophobicContact CD2-CE1 4.05Å; L160-Y165 HydrophobicContact CD1-CD2 4.38Å; L160-Y165 HydrophobicContact CD1-CE2 4.1Å; L160-Y165 HydrophobicContact CD2-CE2 3.82Å; L160-Y165 HydrophobicContact CG-CD2 3.9Å; L160-Y165 HydrophobicContact CG-CE2 3.63Å; L160-Y165 PolarHBondContact O-N 3.47Å; L160-Y165 VanDerWaalsContact O-N 3.14Å; I161-Y165 HydrophobicContact CG1-CD2 4.5Å; I161-Y165 PolarHBondContact O-N 2.82Å; Y165-G169 PolarHBondContact O-N 3.24Å
166I94.2Very high93.5Very high84 Ų8471.2 Ų71.243%0.43136%0.363SS..Hα-helixtrans-63.8-51.8-175.8-67.3176.4000111.4I161 I168 G169 I170I161-I166 HydrophobicContact CG2-CD1 3.72Å; I161-I166 HydrophobicContact CG2-CG1 3.99Å; I161-I166 PolarHBondContact O-N 3.24Å; I166-I168 PolarHBondContact O-N 3.11Å; I166-G169 PolarHBondContact O-N 3.33Å; I166-I170 HydrophobicContact CG2-CD1 3.46Å; I166-I170 VanDerWaalsContact CG2-CD1 3.46Å; I166-I170 HydrophobicContact CG2-CG1 4.19Å; I166-I170 WeakPolarHBondContact O-CB 3.29Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.21Å; I166-I170 PolarHBondContact O-N 2.88Å
167P96.1Very high93.5Very high60 Ų6068.2 Ų68.239%0.3935%0.349SS..Hα-helixtrans-64.9-40-176.6-23.936.1000112.7T162 L171T162-P167 WeakPolarHBondContact O-CD 3.39Å; T162-P167 WeakPolarHBondContact O-CG 3.5Å; P167-L171 WeakPolarHBondContact O-CB 3.5Å; P167-L171 PolarHBondContact O-N 3.45Å
168I96.3Very high93.6Very high27 Ų2768.5 Ų68.514%0.13835%0.354CS..Hα-helixtrans-69.1-42.9178.9-64.6171.7000110.4L126 A130 R164 I166 L171 A172L126-I168 HydrophobicContact CB-CD1 3.63Å; L126-I168 HydrophobicContact CD1-CD1 4.35Å; A130-I168 HydrophobicContact CB-CG2 3.76Å; R164-I168 VanDerWaalsContact O-CB 3.26Å; R164-I168 WeakPolarHBondContact O-CB 3.48Å; R164-I168 WeakPolarHBondContact O-CD1 3.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.17Å; R164-I168 PolarHBondContact O-N 3.39Å; I166-I168 PolarHBondContact O-N 3.11Å; I168-L171 PolarHBondContact O-N 2.89Å; I168-A172 VanDerWaalsContact O-CB 3.29Å; I168-A172 WeakPolarHBondContact O-CB 3.24Å; I168-A172 PolarHBondContact O-N 3.19Å
169G94.4Very high93.8Very high29 Ų2963.8 Ų63.830%0.29933%0.329SS..Hα-helixtrans-63.9-47.717800000112.6Y165 I166 L171 A172 V173Y165-G169 PolarHBondContact O-N 3.24Å; I166-G169 PolarHBondContact O-N 3.33Å; G169-L171 PolarHBondContact O-N 3.47Å; G169-A172 PolarHBondContact O-N 3.26Å; G169-V173 WeakPolarHBondContact O-CG2 3.45Å; G169-V173 PolarHBondContact O-N 3.44Å
170I94.8Very high93.9Very high94 Ų9456.6 Ų56.648%0.48230%0.302SS..Hα-helixtrans-59.8-48.4176.3-70.3174.1000110.1I166 A172 V173 L174I166-I170 HydrophobicContact CG2-CD1 3.46Å; I166-I170 VanDerWaalsContact CG2-CD1 3.46Å; I166-I170 HydrophobicContact CG2-CG1 4.19Å; I166-I170 WeakPolarHBondContact O-CB 3.29Å; I166-I170 VanDerWaalsContact O-CG1 3.29Å; I166-I170 WeakPolarHBondContact O-CG1 3.21Å; I166-I170 PolarHBondContact O-N 2.88Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.35Å; I170-V173 PolarHBondContact O-N 3.29Å; I170-L174 HydrophobicContact CG2-CD1 3.62Å; I170-L174 HydrophobicContact CG2-CG 4.09Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.24Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.3Å
171L95.8Very high94Very high105 Ų10557.6 Ų57.655%0.5531%0.309SS..Hα-helixtrans-59.1-44.6179.1-179.762000111.7P167 I168 G169 L174 I175P167-L171 WeakPolarHBondContact O-CB 3.5Å; P167-L171 PolarHBondContact O-N 3.45Å; I168-L171 PolarHBondContact O-N 2.89Å; G169-L171 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 2.95Å; L171-I175 HydrophobicContact CD1-CD1 3.92Å; L171-I175 HydrophobicContact CD1-CG1 4.29Å; L171-I175 HydrophobicContact CG-CD1 3.9Å; L171-I175 WeakPolarHBondContact O-CB 3.32Å; L171-I175 VanDerWaalsContact O-CG1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.39Å; L171-I175 PolarHBondContact O-N 3.02Å
172A94.6Very high94Very high13 Ų1361 Ų6111%0.10733%0.328CS..Hα-helixtrans-61.3-4817800000112A130 L134 I168 G169 I170 I175 S176A130-A172 HydrophobicContact CB-CB 3.98Å; L134-A172 HydrophobicContact CD1-CB 3.87Å; L134-A172 WeakPolarHBondContact CD1-O 3.3Å; L134-A172 HydrophobicContact CD2-CB 4.21Å; L134-A172 HydrophobicContact CG-CB 4.1Å; I168-A172 VanDerWaalsContact O-CB 3.29Å; I168-A172 WeakPolarHBondContact O-CB 3.24Å; I168-A172 PolarHBondContact O-N 3.19Å; G169-A172 PolarHBondContact O-N 3.26Å; I170-A172 VanDerWaalsContact C-N 3.32Å; I170-A172 PolarHBondContact O-N 3.35Å; A172-I175 PolarHBondContact O-N 3.13Å; A172-S176 PolarHBondContact O-N 3.14Å
173V92.8Very high94Very high65 Ų6561.6 Ų61.639%0.39432%0.324SS..Hα-helixtrans-64.4-42.6179170.30000111.3G169 I170 S176 A177 L189G169-V173 WeakPolarHBondContact O-CG2 3.45Å; G169-V173 PolarHBondContact O-N 3.44Å; I170-V173 PolarHBondContact O-N 3.29Å; V173-S176 PolarHBondContact O-N 3.03Å; V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.33Å; V173-A177 PolarHBondContact O-N 3.42Å; V173-L189 HydrophobicContact CG1-CD1 3.88Å
174L94.4Very high94.1Very high98 Ų9857.5 Ų57.551%0.51330%0.304SS..Hα-helixtrans-61.2-45.5176.6-72.8174.6000111.4I170 L171 S176 A177 L178I170-L174 HydrophobicContact CG2-CD1 3.62Å; I170-L174 HydrophobicContact CG2-CG 4.09Å; I170-L174 WeakPolarHBondContact O-CB 3.47Å; I170-L174 VanDerWaalsContact O-CG 3.24Å; I170-L174 WeakPolarHBondContact O-CG 3.49Å; I170-L174 PolarHBondContact O-N 3.3Å; L171-L174 PolarHBondContact O-N 2.95Å; L174-S176 PolarHBondContact O-N 3.22Å; L174-A177 PolarHBondContact O-N 3.2Å; L174-L178 WeakPolarHBondContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 2.95Å
175I92.8Very high94.1Very high77 Ų7762.6 Ų62.640%0.39533%0.332SS..Hα-helixtrans-60.3-46.4176.9-70.3167.4000110.7L171 A172 L178 I179L171-I175 HydrophobicContact CD1-CD1 3.92Å; L171-I175 HydrophobicContact CD1-CG1 4.29Å; L171-I175 HydrophobicContact CG-CD1 3.9Å; L171-I175 WeakPolarHBondContact O-CB 3.32Å; L171-I175 VanDerWaalsContact O-CG1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.39Å; L171-I175 PolarHBondContact O-N 3.02Å; A172-I175 PolarHBondContact O-N 3.13Å; I175-L178 PolarHBondContact O-N 3.3Å; I175-I179 HydrophobicContact CG2-CD1 3.78Å; I175-I179 WeakPolarHBondContact O-CB 3.49Å; I175-I179 VanDerWaalsContact O-CG1 3.32Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 3.02Å
176S94.1Very high94.1Very high0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-62.7-48.5177.5-162.70000111.6A172 V173 L174 L178 I179 D180 Q191A172-S176 PolarHBondContact O-N 3.14Å; V173-S176 PolarHBondContact O-N 3.03Å; L174-S176 PolarHBondContact O-N 3.22Å; S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 3.22Å; S176-I179 PolarHBondContact O-N 3.2Å; S176-D180 VanDerWaalsContact O-CB 3.31Å; S176-D180 WeakPolarHBondContact O-CB 3.19Å; S176-D180 PolarHBondContact O-N 3.03Å; S176-D180 PolarHBondContact OG-OD2 2.97Å; S176-Q191 PolarHBondContact OG-NE2 3.35Å
177A93.3Very high94Very high15 Ų1570.8 Ų70.812%0.12436%0.36CS..Hα-helixtrans-60.9-38.1-179.100000112.1V173 L174 C181 W187V173-A177 VanDerWaalsContact O-CB 3.29Å; V173-A177 WeakPolarHBondContact O-CB 3.33Å; V173-A177 PolarHBondContact O-N 3.42Å; L174-A177 PolarHBondContact O-N 3.2Å; A177-C181 WeakPolarHBondContact O-CB 3.26Å; A177-C181 PolarHBondContact O-N 3.08Å; A177-W187 HydrophobicContact CB-CZ3 4.43Å
178L95.1Very high93.7Very high98 Ų9868.3 Ų68.351%0.51334%0.344SS..Hα-helixtrans-66.2-48.8174.9-72.4170.8000111.5L174 I175 S176 D180 C181 L182 W187L174-L178 WeakPolarHBondContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.5Å; L174-L178 PolarHBondContact O-N 2.95Å; I175-L178 PolarHBondContact O-N 3.3Å; S176-L178 VanDerWaalsContact C-N 3.29Å; S176-L178 PolarHBondContact O-N 3.22Å; L178-D180 PolarHBondContact O-N 3Å; L178-C181 PolarHBondContact O-N 3.06Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 3.45Å; L178-L182 VanDerWaalsContact O-N 3.08Å; L178-W187 HydrophobicContact CD2-CH2 4.2Å
179I94.4Very high93.5Very high33 Ų3369.7 Ų69.717%0.16935%0.351CS..Hα-helixtrans-57.6-51.7176.8-74.3170000110.2F19 L23 I175 S176 C181 L182 F183F19-I179 HydrophobicContact CB-CG2 3.76Å; L23-I179 HydrophobicContact CD1-CD1 4.2Å; L23-I179 HydrophobicContact CD1-CG1 4.28Å; L23-I179 HydrophobicContact CD1-CG2 3.5Å; I175-I179 HydrophobicContact CG2-CD1 3.78Å; I175-I179 WeakPolarHBondContact O-CB 3.49Å; I175-I179 VanDerWaalsContact O-CG1 3.32Å; I175-I179 WeakPolarHBondContact O-CG1 3.46Å; I175-I179 PolarHBondContact O-N 3.02Å; S176-I179 PolarHBondContact O-N 3.2Å; I179-C181 VanDerWaalsContact C-N 3.34Å; I179-C181 PolarHBondContact O-N 3.28Å; I179-L182 WeakPolarHBondContact O-CB 3.23Å; I179-L182 PolarHBondContact O-N 3.28Å; I179-F183 HydrophobicContact CG2-CD2 4.25Å; I179-F183 HydrophobicContact CG2-CE2 4.46Å; I179-F183 VanDerWaalsContact O-CD2 3.28Å; I179-F183 WeakPolarHBondContact O-CD2 3.07Å; I179-F183 PolarHBondContact O-N 3.07Å
180D94.2Very high93.3Very high0 Ų068.7 Ų68.70%034%0.339CS..Hα-helixtrans-67.8-35.8-175.9-65.1-40.5000110.9G18 F19 S176 L178 L182 F183 Y184 V190G18-D180 WeakPolarHBondContact CA-OD1 2.94Å; F19-D180 PolarHBondContact N-OD1 3.04Å; S176-D180 VanDerWaalsContact O-CB 3.31Å; S176-D180 WeakPolarHBondContact O-CB 3.19Å; S176-D180 PolarHBondContact O-N 3.03Å; S176-D180 PolarHBondContact OG-OD2 2.97Å; L178-D180 PolarHBondContact O-N 3Å; D180-L182 VanDerWaalsContact C-N 3.33Å; D180-L182 PolarHBondContact O-N 3.4Å; D180-F183 PolarHBondContact O-N 3.1Å; D180-Y184 HydrophobicContact CB-CD2 4.08Å; D180-Y184 HydrophobicContact CB-CE2 4.41Å; D180-Y184 VanDerWaalsContact O-CB 3.29Å; D180-Y184 WeakPolarHBondContact O-CB 3.27Å; D180-Y184 WeakPolarHBondContact O-CD2 3.41Å; D180-Y184 PolarHBondContact O-N 3.18Å; D180-V190 HydrophobicContact CB-CG2 3.98Å; D180-V190 VanDerWaalsContact CG-CG2 3.46Å; D180-V190 VanDerWaalsContact OD2-CG2 3.3Å; D180-V190 WeakPolarHBondContact OD2-CG2 3.32Å
181C94.1Very high93.1Very high28 Ų2865.3 Ų65.319%0.18932%0.321CS..Hα-helixtrans-62.6-38.1173.6-173.30000112.8A177 L178 I179 E185 K186 W187A177-C181 WeakPolarHBondContact O-CB 3.26Å; A177-C181 PolarHBondContact O-N 3.08Å; L178-C181 PolarHBondContact O-N 3.06Å; I179-C181 VanDerWaalsContact C-N 3.34Å; I179-C181 PolarHBondContact O-N 3.28Å; C181-E185 WeakPolarHBondContact O-CA 3.49Å; C181-E185 PolarHBondContact O-N 3.25Å; C181-K186 WeakPolarHBondContact CA-O 3.33Å; C181-W187 HydrophobicContact CB-CD2 4.41Å; C181-W187 HydrophobicContact CB-CE3 4.08Å; C181-W187 HydrophobicContact CB-CZ3 4.32Å
182L93.7Very high92.8Very high135 Ų13565.2 Ų65.271%0.70732%0.321SS*.Hα-helixtrans-66.1-38178.4-71.7169.1000112.3L178 I179 D180L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.49Å; L178-L182 PolarHBondContact O-N 3.45Å; L178-L182 VanDerWaalsContact O-N 3.08Å; I179-L182 WeakPolarHBondContact O-CB 3.23Å; I179-L182 PolarHBondContact O-N 3.28Å; D180-L182 VanDerWaalsContact C-N 3.33Å; D180-L182 PolarHBondContact O-N 3.4Å
183F92Very high92.6Very high80 Ų8066.7 Ų66.735%0.35133%0.327SS..Hα-helixtrans-91.8-30.7-176.3-74.5-71.5000114.4M1 F19 L23 I179 D180 E185M1-F183 HydrophobicContact CE-CD1 3.77Å; M1-F183 HydrophobicContact CE-CD2 4.41Å; M1-F183 HydrophobicContact CE-CE1 3.57Å; M1-F183 HydrophobicContact CE-CE2 4.26Å; M1-F183 HydrophobicContact CE-CG 4.21Å; M1-F183 HydrophobicContact CE-CZ 3.84Å; M1-F183 HydrophobicContact CG-CE1 3.76Å; M1-F183 HydrophobicContact CG-CZ 4.37Å; M1-F183 HydrophobicContact SD-CE1 3.94Å; M1-F183 HydrophobicContact SD-CZ 4.06Å; F19-F183 HydrophobicContact CB-CD2 3.85Å; F19-F183 HydrophobicContact CB-CE2 4.49Å; F19-F183 HydrophobicContact CB-CG 4.36Å; F19-F183 HydrophobicContact CD1-CB 4.1Å; F19-F183 HydrophobicContact CD1-CD2 4.37Å; F19-F183 HydrophobicContact CD1-CG 4.07Å; F19-F183 HydrophobicContact CD2-CB 3.42Å; F19-F183 VanDerWaalsContact CD2-CB 3.42Å; F19-F183 HydrophobicContact CD2-CD2 4.23Å; F19-F183 HydrophobicContact CD2-CG 4.06Å; F19-F183 HydrophobicContact CE1-CB 4.03Å; F19-F183 HydrophobicContact CE1-CG 4.32Å; F19-F183 HydrophobicContact CE2-CB 3.33Å; F19-F183 HydrophobicContact CE2-CG 4.3Å; F19-F183 HydrophobicContact CG-CB 3.78Å; F19-F183 AromaticContact CG-CD2 3.9Å; F19-F183 HydrophobicContact CG-CD2 3.9Å; F19-F183 AromaticContact CG-CG 3.9Å; F19-F183 HydrophobicContact CG-CG 3.9Å; F19-F183 HydrophobicContact CZ-CB 3.65Å; F19-F183 HydrophobicContact CZ-CG 4.42Å; L23-F183 HydrophobicContact CD1-CE2 3.92Å; L23-F183 HydrophobicContact CD2-CE2 3.7Å; L23-F183 HydrophobicContact CD2-CZ 3.63Å; L23-F183 HydrophobicContact CG-CE2 4.07Å; L23-F183 HydrophobicContact CG-CZ 4.45Å; I179-F183 HydrophobicContact CG2-CD2 4.25Å; I179-F183 HydrophobicContact CG2-CE2 4.46Å; I179-F183 VanDerWaalsContact O-CD2 3.28Å; I179-F183 WeakPolarHBondContact O-CD2 3.07Å; I179-F183 PolarHBondContact O-N 3.07Å; D180-F183 PolarHBondContact O-N 3.1Å; F183-E185 VanDerWaalsContact C-N 3.33Å
184Y92.9Very high92.4Very high34 Ų3465.1 Ų65.113%0.13332%0.315CS..Hα-helixtrans-85.9-7.5173.9-73.4-59.7000113.3W12 R17 F19 D180 K186 T188 V190W12-Y184 WeakPolarHBondContact O-CE1 3.13Å; R17-Y184 PolarHBondContact O-OH 2.9Å; F19-Y184 HydrophobicContact CD2-CD2 4.21Å; F19-Y184 AromaticContact CD2-CE2 3.87Å; F19-Y184 HydrophobicContact CD2-CE2 3.87Å; F19-Y184 HydrophobicContact CE2-CD1 4.07Å; F19-Y184 AromaticContact CE2-CD2 3.72Å; F19-Y184 HydrophobicContact CE2-CD2 3.72Å; F19-Y184 AromaticContact CE2-CE1 3.74Å; F19-Y184 HydrophobicContact CE2-CE1 3.74Å; F19-Y184 AromaticContact CE2-CE2 3.41Å; F19-Y184 HydrophobicContact CE2-CE2 3.41Å; F19-Y184 VanDerWaalsContact CE2-CE2 3.41Å; F19-Y184 HydrophobicContact CE2-CG 4.05Å; F19-Y184 AromaticContact CE2-CZ 3.43Å; F19-Y184 VanDerWaalsContact CE2-CZ 3.43Å; F19-Y184 HydrophobicContact CZ-CE1 4.14Å; F19-Y184 HydrophobicContact CZ-CE2 4.49Å; D180-Y184 HydrophobicContact CB-CD2 4.08Å; D180-Y184 HydrophobicContact CB-CE2 4.41Å; D180-Y184 VanDerWaalsContact O-CB 3.29Å; D180-Y184 WeakPolarHBondContact O-CB 3.27Å; D180-Y184 WeakPolarHBondContact O-CD2 3.41Å; D180-Y184 PolarHBondContact O-N 3.18Å; Y184-K186 PolarHBondContact O-N 3.19Å; Y184-T188 HydrophobicContact CD2-CG2 3.93Å; Y184-T188 HydrophobicContact CE2-CG2 4.19Å; Y184-V190 HydrophobicContact CE2-CG2 3.93Å
185E93Very high92Very high182 Ų18264 Ų6485%0.8531%0.309SS*.SBendtrans56.719.1-175.6-57.5179.1-178.700113.4C181 F183C181-E185 WeakPolarHBondContact O-CA 3.49Å; C181-E185 PolarHBondContact O-N 3.25Å; F183-E185 VanDerWaalsContact C-N 3.33Å
186K92.8Very high91.6Very high117 Ų11765.2 Ų65.251%0.50931%0.311SS..SBendtrans-154.2149.617972.4-170178-179.80110.2C181 Y184 T188C181-K186 WeakPolarHBondContact CA-O 3.33Å; Y184-K186 PolarHBondContact O-N 3.19Å; K186-T188 VanDerWaalsContact CG-OG1 3.32Å; K186-T188 WeakPolarHBondContact CG-OG1 3.4Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 3.06Å
187W91.7Very high91Very high196 Ų19666.7 Ų66.774%0.74232%0.317SS*.  trans-59.7107.9174.8-73.4105000110.8A177 L178 C181A177-W187 HydrophobicContact CB-CZ3 4.43Å; L178-W187 HydrophobicContact CD2-CH2 4.2Å; C181-W187 HydrophobicContact CB-CD2 4.41Å; C181-W187 HydrophobicContact CB-CE3 4.08Å; C181-W187 HydrophobicContact CB-CZ3 4.32Å
188T89.9Confident90.5Very high8 Ų867.9 Ų67.95%0.04932%0.322CS..  trans-128.8115.7-176.2-54.60000108.6Y184 K186 V190 N193Y184-T188 HydrophobicContact CD2-CG2 3.93Å; Y184-T188 HydrophobicContact CE2-CG2 4.19Å; K186-T188 VanDerWaalsContact CG-OG1 3.32Å; K186-T188 WeakPolarHBondContact CG-OG1 3.4Å; K186-T188 PolarHBondContact O-N 2.84Å; K186-T188 PolarHBondContact O-OG1 3.06Å; T188-V190 HydrophobicContact CG2-CG2 4.06Å; T188-V190 PolarHBondContact O-N 3.22Å; T188-N193 WeakPolarHBondContact CG2-ND2 3.43Å
189L92Very high89.6Confident57 Ų5768.8 Ų68.830%0.29833%0.326SS..  trans-9687.3173-172.754.2000109.2V173 Q191 L192 N193V173-L189 HydrophobicContact CG1-CD1 3.88Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 2.89Å; L189-L192 HydrophobicContact CB-CB 4.49Å; L189-L192 HydrophobicContact CD2-CB 4.34Å; L189-L192 HydrophobicContact CD2-CD1 3.34Å; L189-L192 HydrophobicContact CD2-CG 3.54Å; L189-L192 HydrophobicContact CG-CB 4.17Å; L189-L192 HydrophobicContact CG-CD1 4.07Å; L189-L192 HydrophobicContact CG-CG 3.84Å; L189-L192 PolarHBondContact O-N 2.91Å; L189-L192 VanDerWaalsContact O-N 3.12Å; L189-N193 PolarHBondContact O-N 2.8Å; L189-N193 VanDerWaalsContact O-N 3.09Å
190V91.7Very high88.7Confident7 Ų773.3 Ų73.34%0.04235%0.35CS..Hα-helixtrans-55.2-40.2-171.8170.40000112.4R17 D180 Y184 T188 L192 N193 F194R17-V190 VanDerWaalsContact C-CG1 3.46Å; D180-V190 HydrophobicContact CB-CG2 3.98Å; D180-V190 VanDerWaalsContact CG-CG2 3.46Å; D180-V190 VanDerWaalsContact OD2-CG2 3.3Å; D180-V190 WeakPolarHBondContact OD2-CG2 3.32Å; Y184-V190 HydrophobicContact CE2-CG2 3.93Å; T188-V190 HydrophobicContact CG2-CG2 4.06Å; T188-V190 PolarHBondContact O-N 3.22Å; V190-L192 VanDerWaalsContact C-N 3.33Å; V190-L192 PolarHBondContact O-N 3.32Å; V190-N193 PolarHBondContact O-N 2.94Å; V190-F194 WeakPolarHBondContact O-CB 3.36Å; V190-F194 PolarHBondContact O-N 3.08Å
191Q90.6Very high87.7Confident23 Ų2378.4 Ų78.411%0.10737%0.373CS..Hα-helixtrans-66.1-35.9-177.1-64.374.815.900111.9P137 S176 L189 I195P137-Q191 HydrophobicContact CG-CB 4.35Å; P137-Q191 HydrophobicContact CG-CG 4.16Å; S176-Q191 PolarHBondContact OG-NE2 3.35Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 2.89Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.47Å
192L88.9Confident86.8Confident104 Ų10478.4 Ų78.455%0.54538%0.378SS..Hα-helixtrans-71.5-41.5173-70.9-171.9000111.5L189 V190 F194 I195 K196L189-L192 HydrophobicContact CB-CB 4.49Å; L189-L192 HydrophobicContact CD2-CB 4.34Å; L189-L192 HydrophobicContact CD2-CD1 3.34Å; L189-L192 HydrophobicContact CD2-CG 3.54Å; L189-L192 HydrophobicContact CG-CB 4.17Å; L189-L192 HydrophobicContact CG-CD1 4.07Å; L189-L192 HydrophobicContact CG-CG 3.84Å; L189-L192 PolarHBondContact O-N 2.91Å; L189-L192 VanDerWaalsContact O-N 3.12Å; V190-L192 VanDerWaalsContact C-N 3.33Å; V190-L192 PolarHBondContact O-N 3.32Å; L192-F194 VanDerWaalsContact C-N 3.3Å; L192-F194 PolarHBondContact O-N 3.09Å; L192-I195 PolarHBondContact O-N 3.36Å; L192-K196 WeakPolarHBondContact O-CB 3.29Å; L192-K196 PolarHBondContact O-N 3.39Å
193N90.5Very high85.9Confident43 Ų4372.2 Ų72.223%0.2335%0.346CS..Hα-helixtrans-59.9-44.1174.6-71.5-12.7000110.8G15 I16 T188 L189 V190 I195 K196 F197G15-N193 WeakPolarHBondContact O-CB 3.46Å; G15-N193 PolarHBondContact O-ND2 2.9Å; I16-N193 HydrophobicContact CG2-CB 4.22Å; T188-N193 WeakPolarHBondContact CG2-ND2 3.43Å; L189-N193 PolarHBondContact O-N 2.8Å; L189-N193 VanDerWaalsContact O-N 3.09Å; V190-N193 PolarHBondContact O-N 2.94Å; N193-I195 VanDerWaalsContact C-N 3.31Å; N193-I195 PolarHBondContact O-N 2.91Å; N193-K196 PolarHBondContact O-N 3.18Å; N193-K196 VanDerWaalsContact O-N 3.17Å; N193-F197 HydrophobicContact CB-CD2 4.3Å; N193-F197 HydrophobicContact CB-CE2 4.48Å; N193-F197 VanDerWaalsContact O-CD2 3.24Å; N193-F197 WeakPolarHBondContact O-CD2 3.13Å; N193-F197 PolarHBondContact O-N 3.49Å
194F87.9Confident85Confident32 Ų3269.6 Ų69.614%0.1434%0.339CS..Hα-helixtrans-55.7-46.2176.3179.9-87.3000111.7P137 T138 V190 L192 N198P137-F194 HydrophobicContact CB-CD1 3.93Å; P137-F194 HydrophobicContact CB-CE1 4.19Å; P137-F194 HydrophobicContact CG-CB 4.36Å; P137-F194 HydrophobicContact CG-CD1 3.77Å; P137-F194 HydrophobicContact CG-CE1 4.32Å; P137-F194 HydrophobicContact CG-CG 4.05Å; T138-F194 HydrophobicContact CG2-CE1 4.24Å; T138-F194 HydrophobicContact CG2-CZ 4.26Å; V190-F194 WeakPolarHBondContact O-CB 3.36Å; V190-F194 PolarHBondContact O-N 3.08Å; L192-F194 VanDerWaalsContact C-N 3.3Å; L192-F194 PolarHBondContact O-N 3.09Å; F194-N198 WeakPolarHBondContact CD2-ND2 3.29Å; F194-N198 VanDerWaalsContact CE2-ND2 3.29Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.36Å; F194-N198 VanDerWaalsContact O-CB 3.32Å; F194-N198 WeakPolarHBondContact O-CB 3.39Å; F194-N198 PolarHBondContact O-N 2.83Å; F194-N198 PolarHBondContact O-ND2 3.38Å
195I85.5Confident84.1Confident76 Ų7671.6 Ų71.639%0.3935%0.352SS..Hα-helixtrans-63.9-48.7176.1-69.8167.4000110.4Q191 L192 N193 F197 I199 L200Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.47Å; L192-I195 PolarHBondContact O-N 3.36Å; N193-I195 VanDerWaalsContact C-N 3.31Å; N193-I195 PolarHBondContact O-N 2.91Å; I195-F197 PolarHBondContact O-N 2.71Å; I195-I199 HydrophobicContact CG2-CD1 4.25Å; I195-I199 WeakPolarHBondContact O-CA 3.09Å; I195-I199 VanDerWaalsContact O-CB 3.26Å; I195-I199 WeakPolarHBondContact O-CB 3.43Å; I195-I199 PolarHBondContact O-N 2.86Å; I195-L200 PolarHBondContact O-N 3.45Å
196K86.1Confident83.4Confident101 Ų10166.4 Ų66.444%0.43933%0.327SS..Iπ-helixtrans-56.4-52.9-179.9-175-175.6-177.4-171.50111.5L192 N193 L200 H201L192-K196 WeakPolarHBondContact O-CB 3.29Å; L192-K196 PolarHBondContact O-N 3.39Å; N193-K196 PolarHBondContact O-N 3.18Å; N193-K196 VanDerWaalsContact O-N 3.17Å; K196-L200 HydrophobicContact CB-CD1 4.45Å; K196-L200 HydrophobicContact CG-CD1 4.23Å; K196-L200 WeakPolarHBondContact O-CA 3.24Å; K196-L200 WeakPolarHBondContact O-CB 3.27Å; K196-L200 PolarHBondContact O-N 3.43Å; K196-L200 VanDerWaalsContact O-N 3.08Å; K196-H201 PolarHBondContact O-N 3.41Å; K196-H201 VanDerWaalsContact O-N 3.15Å
197F81.7Confident82.6Confident31 Ų3165 Ų6514%0.13632%0.319CS..Iπ-helixtrans-74.1-43.7-175-77.1-82.4000113.1I16 N193 I195 H201 V203 L369I16-F197 HydrophobicContact CG2-CB 4.06Å; I16-F197 HydrophobicContact CG2-CD2 3.34Å; I16-F197 HydrophobicContact CG2-CE2 3.91Å; I16-F197 HydrophobicContact CG2-CG 3.8Å; N193-F197 HydrophobicContact CB-CD2 4.3Å; N193-F197 HydrophobicContact CB-CE2 4.48Å; N193-F197 VanDerWaalsContact O-CD2 3.24Å; N193-F197 WeakPolarHBondContact O-CD2 3.13Å; N193-F197 PolarHBondContact O-N 3.49Å; I195-F197 PolarHBondContact O-N 2.71Å; F197-H201 AromaticContact CD1-ND1 3.66Å; F197-V203 WeakPolarHBondContact O-CB 3.48Å; F197-V203 WeakPolarHBondContact O-CG2 3.28Å; F197-V203 PolarHBondContact O-N 2.95Å; F197-L369 HydrophobicContact CD1-CD2 3.99Å; F197-L369 HydrophobicContact CE1-CD2 3.92Å
198N81.1Confident82.2Confident40 Ų4057.4 Ų57.421%0.21430%0.301CS..Iπ-helixtrans-81.6-32.3-175.4-66.5-75.5000113.5F194F194-N198 WeakPolarHBondContact CD2-ND2 3.29Å; F194-N198 VanDerWaalsContact CE2-ND2 3.29Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.36Å; F194-N198 VanDerWaalsContact O-CB 3.32Å; F194-N198 WeakPolarHBondContact O-CB 3.39Å; F194-N198 PolarHBondContact O-N 2.83Å; F194-N198 PolarHBondContact O-ND2 3.38Å
199I77.6Confident82Confident118 Ų11861.1 Ų61.161%0.60533%0.328SS*.Iπ-helixtrans-100.2-45.3-175.3-56.4178.3000111.2I195I195-I199 HydrophobicContact CG2-CD1 4.25Å; I195-I199 WeakPolarHBondContact O-CA 3.09Å; I195-I199 VanDerWaalsContact O-CB 3.26Å; I195-I199 WeakPolarHBondContact O-CB 3.43Å; I195-I199 PolarHBondContact O-N 2.86Å
200L74.5Confident82Confident127 Ų12762.1 Ų62.167%0.66533%0.331SS*.Iπ-helixtrans-83.2-36.8-175.9-53.1176.4000112.9I195 K196I195-L200 PolarHBondContact O-N 3.45Å; K196-L200 HydrophobicContact CB-CD1 4.45Å; K196-L200 HydrophobicContact CG-CD1 4.23Å; K196-L200 WeakPolarHBondContact O-CA 3.24Å; K196-L200 WeakPolarHBondContact O-CB 3.27Å; K196-L200 PolarHBondContact O-N 3.43Å; K196-L200 VanDerWaalsContact O-N 3.08Å
201H74.3Confident82.2Confident107 Ų10765.2 Ų65.250%0.49535%0.351SS..SBendtrans-96.60.2179.5-57.5144.2000114.1K196 F197 V203K196-H201 PolarHBondContact O-N 3.41Å; K196-H201 VanDerWaalsContact O-N 3.15Å; F197-H201 AromaticContact CD1-ND1 3.66Å; H201-V203 HydrophobicContact CB-CG2 4.12Å; H201-V203 PolarHBondContact O-N 3.34Å; H201-V203 VanDerWaalsContact O-N 3.11Å
202G73.8Confident82.4Confident28 Ų2872 Ų7229%0.28938%0.376SS..  trans63.318.8174.500000115.3A204 D205G202-A204 PolarHBondContact O-N 3.39Å; G202-D205 WeakPolarHBondContact O-CB 3.33Å; G202-D205 PolarHBondContact O-N 3.03Å
203V76.1Confident82.7Confident6 Ų670.7 Ų70.74%0.03637%0.367CS..G310 helixtrans-57.9-24.9-175.71740000112.8W10 F197 H201 D205 F206 Y207 P367 L369W10-V203 HydrophobicContact CH2-CG1 3.8Å; W10-V203 HydrophobicContact CZ2-CG1 4.2Å; F197-V203 WeakPolarHBondContact O-CB 3.48Å; F197-V203 WeakPolarHBondContact O-CG2 3.28Å; F197-V203 PolarHBondContact O-N 2.95Å; H201-V203 HydrophobicContact CB-CG2 4.12Å; H201-V203 PolarHBondContact O-N 3.34Å; H201-V203 VanDerWaalsContact O-N 3.11Å; V203-D205 PolarHBondContact O-N 2.75Å; V203-F206 VanDerWaalsContact O-CB 3.29Å; V203-F206 WeakPolarHBondContact O-CB 3.31Å; V203-F206 PolarHBondContact O-N 3.42Å; V203-Y207 HydrophobicContact CG1-CE2 4.39Å; V203-P367 HydrophobicContact CG1-CB 3.68Å; V203-P367 HydrophobicContact CG1-CG 3.59Å; V203-L369 HydrophobicContact CG2-CD2 4.45Å
204A72.4Confident83.1Confident24 Ų2469.4 Ų69.420%0.19836%0.359CS..G310 helixtrans-59.8-35.5176.600000112.3G202 F206 Y207 H261G202-A204 PolarHBondContact O-N 3.39Å; A204-F206 PolarHBondContact O-N 3.1Å; A204-Y207 PolarHBondContact O-N 3.49Å; A204-Y207 VanDerWaalsContact O-N 3.13Å; A204-H261 HydrophobicContact CB-CB 4.08Å; A204-H261 WeakPolarHBondContact O-CB 3.36Å
205D74.9Confident83.5Confident77 Ų7767.9 Ų67.941%0.41235%0.352SS..G310 helixtrans-66.9-25.3-174.9-61.1-0.5000112.2G202 V203 Y207 G208 P260G202-D205 WeakPolarHBondContact O-CB 3.33Å; G202-D205 PolarHBondContact O-N 3.03Å; V203-D205 PolarHBondContact O-N 2.75Å; D205-Y207 PolarHBondContact O-N 3.37Å; D205-G208 PolarHBondContact O-N 2.86Å; D205-P260 WeakPolarHBondContact OD1-CB 3.5Å; D205-P260 WeakPolarHBondContact OD1-CD 3.43Å; D205-P260 WeakPolarHBondContact OD1-CG 3.45Å
206F77.3Confident84Confident73 Ų7369.1 Ų69.132%0.3236%0.355SS..G310 helixtrans-59.6-32.1174.7-179.2-99.9000112.6V203 A204 G208 C365 P367 E376V203-F206 VanDerWaalsContact O-CB 3.29Å; V203-F206 WeakPolarHBondContact O-CB 3.31Å; V203-F206 PolarHBondContact O-N 3.42Å; A204-F206 PolarHBondContact O-N 3.1Å; F206-G208 PolarHBondContact O-N 3.31Å; F206-G208 VanDerWaalsContact O-N 3.16Å; F206-C365 WeakPolarHBondContact CE1-O 3.44Å; F206-P367 HydrophobicContact CD1-CB 4.12Å; F206-P367 HydrophobicContact CG-CB 4.17Å; F206-E376 HydrophobicContact CZ-CG 4.15Å; F206-E376 WeakPolarHBondContact CZ-OE2 3.42Å
207Y76.8Confident84.5Confident86 Ų8667.2 Ų67.234%0.33735%0.354SS..G310 helixtrans-83.417.5-179.3-66.1-72.5000113.6W10 V203 A204 D205 H261W10-Y207 HydrophobicContact CZ2-CE2 4.32Å; W10-Y207 VanDerWaalsContact CZ2-OH 3.25Å; W10-Y207 WeakPolarHBondContact CZ2-OH 3.04Å; W10-Y207 PolarHBondContact NE1-OH 2.96Å; V203-Y207 HydrophobicContact CG1-CE2 4.39Å; A204-Y207 PolarHBondContact O-N 3.49Å; A204-Y207 VanDerWaalsContact O-N 3.13Å; D205-Y207 PolarHBondContact O-N 3.37Å; Y207-H261 PolarHBondContact O-CE1 3.29Å; Y207-H261 PolarHBondContact O-ND1 2.99Å; Y207-H261 VanDerWaalsContact O-ND1 3.16Å
208G81.6Confident85.2Confident37 Ų3770.7 Ų70.738%0.38137%0.371SS..  trans94.3146.9-179.700000112.5D205 F206 H261D205-G208 PolarHBondContact O-N 2.86Å; F206-G208 PolarHBondContact O-N 3.31Å; F206-G208 VanDerWaalsContact O-N 3.16Å; G208-H261 WeakPolarHBondContact O-CA 3.44Å; G208-H261 PolarHBondContact O-ND1 3.38Å
209S86.6Confident85.9Confident87 Ų8768.8 Ų68.861%0.60836%0.361SS*.  trans-117.7143.8-177.766.50000111.5P260S209-P260 WeakPolarHBondContact CA-O 3.43Å
210H92.8Very high86.9Confident78 Ų7864.5 Ų64.536%0.36134%0.338SS..  trans-118.7150.4171-71.5-69.4000110.8W214 P260 K262H210-W214 HydrophobicContact CB-CB 3.88Å; H210-W214 HydrophobicContact CB-CD2 4.29Å; H210-W214 HydrophobicContact CB-CG 3.78Å; H210-W214 AromaticContact CG-CD1 3.96Å; H210-W214 AromaticContact ND1-CD1 3.77Å; H210-W214 AromaticContact ND1-NE1 3.74Å; H210-P260 PolarHBondContact N-O 2.88Å; H210-K262 HydrophobicContact CB-CB 4.34Å; H210-K262 HydrophobicContact CB-CD 3.9Å; H210-K262 HydrophobicContact CB-CG 4.26Å; H210-K262 PolarHBondContact O-NZ 3.45Å
211P94.8Very high88Confident71 Ų7160.1 Ų60.146%0.46132%0.32SS..  trans-52.7152.9174.3-26.134.4000112.7H213 W214 K262P211-H213 WeakPolarHBondContact CB-NE2 3.49Å; P211-H213 PolarHBondContact O-N 2.87Å; P211-W214 WeakPolarHBondContact O-CB 3.24Å; P211-W214 PolarHBondContact O-N 3.22Å; P211-K262 WeakPolarHBondContact O-CE 3.39Å; P211-K262 PolarHBondContact O-NZ 3.2Å
212W95.4Very high89Confident165 Ų16557.6 Ų57.663%0.62531%0.312SS*.THydrogen-bonded Turntrans-56.7-37.4-177.470.6-93.9000112.3W214 F216 S257W212-W214 PolarHBondContact O-N 3.01Å; W212-F216 HydrophobicContact CZ3-CD2 4.36Å; W212-F216 HydrophobicContact CZ3-CE2 4.44Å; W212-S257 WeakPolarHBondContact CA-O 3.33Å; W212-S257 WeakPolarHBondContact O-CB 3.34Å; W212-S257 PolarHBondContact O-OG 3.37Å
213H95.9Very high90.2Very high78 Ų7856.4 Ų56.436%0.36130%0.299SS..THydrogen-bonded Turntrans-75.1-3.9-178.264.576.3000113.8P211 Y215 F216 S217P211-H213 WeakPolarHBondContact CB-NE2 3.49Å; P211-H213 PolarHBondContact O-N 2.87Å; H213-Y215 VanDerWaalsContact C-N 3.32Å; H213-Y215 PolarHBondContact O-N 2.9Å; H213-F216 WeakPolarHBondContact O-CA 3.33Å; H213-F216 WeakPolarHBondContact O-CB 3.27Å; H213-F216 PolarHBondContact O-N 3.35Å; H213-S217 PolarHBondContact ND1-OG 3.18Å; H213-S217 VanDerWaalsContact ND1-OG 3.09Å; H213-S217 PolarHBondContact O-N 2.88Å; H213-S217 PolarHBondContact O-OG 2.89Å; H213-S217 VanDerWaalsContact O-OG 3.06Å
214W97.3Very high91.2Very high15 Ų1556.1 Ų56.16%0.05730%0.297CS..Hα-helixtrans-56.7-40.9-169.4-177.587.7000113.5H210 P211 W212 F216 S217 Q218 G219 K262 F264H210-W214 HydrophobicContact CB-CB 3.88Å; H210-W214 HydrophobicContact CB-CD2 4.29Å; H210-W214 HydrophobicContact CB-CG 3.78Å; H210-W214 AromaticContact CG-CD1 3.96Å; H210-W214 AromaticContact ND1-CD1 3.77Å; H210-W214 AromaticContact ND1-NE1 3.74Å; P211-W214 WeakPolarHBondContact O-CB 3.24Å; P211-W214 PolarHBondContact O-N 3.22Å; W212-W214 PolarHBondContact O-N 3.01Å; W214-F216 VanDerWaalsContact C-N 3.32Å; W214-F216 PolarHBondContact O-N 2.82Å; W214-S217 WeakPolarHBondContact CA-OG 3.43Å; W214-S217 PolarHBondContact O-N 3.47Å; W214-S217 PolarHBondContact O-OG 3.28Å; W214-Q218 WeakPolarHBondContact O-CA 3.4Å; W214-Q218 PolarHBondContact O-N 2.98Å; W214-G219 PolarHBondContact O-N 3.39Å; W214-K262 HydrophobicContact CB-CD 3.93Å; W214-K262 HydrophobicContact CD2-CD 4.36Å; W214-K262 HydrophobicContact CE3-CB 3.81Å; W214-K262 HydrophobicContact CE3-CD 3.88Å; W214-K262 HydrophobicContact CE3-CG 4.49Å; W214-K262 HydrophobicContact CG-CD 4.43Å; W214-K262 HydrophobicContact CZ3-CB 3.96Å; W214-F264 AromaticContact CH2-CD1 3.53Å; W214-F264 HydrophobicContact CH2-CD1 3.53Å; W214-F264 HydrophobicContact CH2-CD2 4.32Å; W214-F264 AromaticContact CH2-CE1 3.34Å; W214-F264 HydrophobicContact CH2-CE1 3.34Å; W214-F264 HydrophobicContact CH2-CE2 4.16Å; W214-F264 HydrophobicContact CH2-CG 4.03Å; W214-F264 AromaticContact CH2-CZ 3.69Å; W214-F264 HydrophobicContact CH2-CZ 3.69Å; W214-F264 HydrophobicContact CZ2-CD1 4.18Å; W214-F264 AromaticContact CZ2-CE1 3.5Å; W214-F264 HydrophobicContact CZ2-CE1 3.5Å; W214-F264 HydrophobicContact CZ2-CE2 4.15Å; W214-F264 AromaticContact CZ2-CZ 3.49Å; W214-F264 HydrophobicContact CZ2-CZ 3.49Å; W214-F264 VanDerWaalsContact CZ2-CZ 3.49Å; W214-F264 HydrophobicContact CZ3-CD1 4.35Å; W214-F264 HydrophobicContact CZ3-CE1 4.37Å
215Y97.7Very high92.4Very high0 Ų055.8 Ų55.80%030%0.296CS..Iπ-helixtrans-67.3-32.4175.9-80.6-66000112.9H213 F220 Y256 K262 E263 I267H213-Y215 VanDerWaalsContact C-N 3.32Å; H213-Y215 PolarHBondContact O-N 2.9Å; Y215-F220 WeakPolarHBondContact O-CB 3.45Å; Y215-F220 PolarHBondContact O-N 2.92Å; Y215-Y256 HydrophobicContact CE2-CG 4.49Å; Y215-K262 HydrophobicContact CD2-CB 4.48Å; Y215-K262 HydrophobicContact CD2-CD 3.66Å; Y215-K262 HydrophobicContact CD2-CG 4.18Å; Y215-K262 HydrophobicContact CE2-CB 3.65Å; Y215-K262 HydrophobicContact CE2-CD 3.59Å; Y215-K262 HydrophobicContact CE2-CG 3.57Å; Y215-E263 PolarHBondContact OH-N 3.02Å; Y215-E263 VanDerWaalsContact OH-N 3.08Å; Y215-E263 PolarHBondContact OH-O 3.03Å; Y215-I267 HydrophobicContact CD1-CD1 3.86Å; Y215-I267 HydrophobicContact CD1-CG1 4.34Å; Y215-I267 HydrophobicContact CD1-CG2 4.03Å; Y215-I267 HydrophobicContact CE1-CD1 4.04Å; Y215-I267 HydrophobicContact CE1-CG1 4.02Å; Y215-I267 HydrophobicContact CE1-CG2 3.71Å
216F96.3Very high93.5Very high102 Ų10253.7 Ų53.745%0.44729%0.287SS..Iπ-helixtrans-75.1-38.3176.1-63.9-79.6000112.3W212 H213 W214 I253 V254 S257W212-F216 HydrophobicContact CZ3-CD2 4.36Å; W212-F216 HydrophobicContact CZ3-CE2 4.44Å; H213-F216 WeakPolarHBondContact O-CA 3.33Å; H213-F216 WeakPolarHBondContact O-CB 3.27Å; H213-F216 PolarHBondContact O-N 3.35Å; W214-F216 VanDerWaalsContact C-N 3.32Å; W214-F216 PolarHBondContact O-N 2.82Å; F216-I253 HydrophobicContact CD1-CG2 3.88Å; F216-I253 HydrophobicContact CD2-CG2 4.39Å; F216-I253 HydrophobicContact CE1-CG2 3.53Å; F216-I253 HydrophobicContact CE2-CG2 4.09Å; F216-I253 HydrophobicContact CG-CG2 4.3Å; F216-I253 HydrophobicContact CZ-CG2 3.65Å; F216-V254 HydrophobicContact CZ-CG2 3.79Å; F216-S257 VanDerWaalsContact CE2-OG 3.23Å; F216-S257 WeakPolarHBondContact CE2-OG 3.18Å
217S95.6Very high94.5Very high61 Ų6150.2 Ų50.243%0.42727%0.272SS..Iπ-helixtrans-85.8-33.3-175.956.10000114H213 W214H213-S217 PolarHBondContact ND1-OG 3.18Å; H213-S217 VanDerWaalsContact ND1-OG 3.09Å; H213-S217 PolarHBondContact O-N 2.88Å; H213-S217 PolarHBondContact O-OG 2.89Å; H213-S217 VanDerWaalsContact O-OG 3.06Å; W214-S217 WeakPolarHBondContact CA-OG 3.43Å; W214-S217 PolarHBondContact O-N 3.47Å; W214-S217 PolarHBondContact O-OG 3.28Å
218Q95.7Very high95.5Very high105 Ų10548.6 Ų48.649%0.49127%0.269SS..Iπ-helixtrans-136-54.3-170.5-62.9177.726.300112.1W214 F220 A221 V222W214-Q218 WeakPolarHBondContact O-CA 3.4Å; W214-Q218 PolarHBondContact O-N 2.98Å; Q218-F220 PolarHBondContact O-N 2.53Å; Q218-A221 PolarHBondContact O-N 3.32Å; Q218-V222 WeakPolarHBondContact O-CG2 3.13Å; Q218-V222 PolarHBondContact O-N 2.66Å
219G96.4Very high96.2Very high0 Ų050.9 Ų50.90%028%0.276CS..Iπ-helixtrans-54.9-54-169.600000114W214 V222 V223W214-G219 PolarHBondContact O-N 3.39Å; G219-V222 PolarHBondContact O-N 3.02Å; G219-V223 WeakPolarHBondContact O-CG2 3.29Å; G219-V223 PolarHBondContact O-N 2.99Å; G219-V223 VanDerWaalsContact O-N 3.15Å
220F97.9Very high96.8Very high27 Ų2748 Ų4812%0.11825%0.253CS..Hα-helixtrans-66.4-41.6179.9-176.7-107.6000112.2Y215 Q218 V222 V223 I224 L228 F231 V249 I253 I267Y215-F220 WeakPolarHBondContact O-CB 3.45Å; Y215-F220 PolarHBondContact O-N 2.92Å; Q218-F220 PolarHBondContact O-N 2.53Å; F220-V222 VanDerWaalsContact C-N 3.31Å; F220-V222 PolarHBondContact O-N 3.26Å; F220-V223 PolarHBondContact O-N 3.34Å; F220-I224 HydrophobicContact CD1-CG2 4.48Å; F220-I224 HydrophobicContact CE1-CD1 4.04Å; F220-I224 HydrophobicContact CE1-CG2 4.34Å; F220-I224 HydrophobicContact CE2-CD1 4.5Å; F220-I224 HydrophobicContact CZ-CD1 3.72Å; F220-I224 VanDerWaalsContact O-CG2 3.25Å; F220-I224 WeakPolarHBondContact O-CG2 3.42Å; F220-I224 PolarHBondContact O-N 3.25Å; F220-L228 HydrophobicContact CD1-CD1 4.41Å; F220-L228 HydrophobicContact CE1-CD1 4.09Å; F220-F231 AromaticContact CE1-CD1 3.97Å; F220-F231 HydrophobicContact CE1-CD1 3.97Å; F220-F231 AromaticContact CE1-CE1 3.73Å; F220-F231 HydrophobicContact CE1-CE1 3.73Å; F220-F231 HydrophobicContact CE1-CZ 4.49Å; F220-F231 HydrophobicContact CZ-CD1 4.01Å; F220-F231 AromaticContact CZ-CE1 3.6Å; F220-F231 HydrophobicContact CZ-CE1 3.6Å; F220-F231 AromaticContact CZ-CZ 3.93Å; F220-F231 HydrophobicContact CZ-CZ 3.93Å; F220-V249 HydrophobicContact CE2-CG1 4.03Å; F220-V249 HydrophobicContact CZ-CG1 4.33Å; F220-I253 HydrophobicContact CB-CD1 4.32Å; F220-I253 HydrophobicContact CD1-CD1 4.47Å; F220-I253 HydrophobicContact CD2-CD1 3.43Å; F220-I253 VanDerWaalsContact CD2-CD1 3.43Å; F220-I253 HydrophobicContact CD2-CG1 4.21Å; F220-I253 HydrophobicContact CE2-CD1 3.75Å; F220-I253 HydrophobicContact CG-CD1 3.83Å; F220-I253 HydrophobicContact CZ-CD1 4.39Å; F220-I267 HydrophobicContact CB-CD1 4.34Å; F220-I267 HydrophobicContact CD2-CD1 4.24Å
221A97.4Very high97.1Very high36 Ų3644.8 Ų44.830%0.29824%0.238SC..Hα-helixtrans-60.9-39.5179.500000112.1Q218 G225 L228Q218-A221 PolarHBondContact O-N 3.32Å; A221-G225 VanDerWaalsContact O-CA 3.28Å; A221-G225 WeakPolarHBondContact O-CA 3.48Å; A221-G225 PolarHBondContact O-N 3.13Å; A221-L228 HydrophobicContact CB-CD2 4.31Å
222V96.8Very high97.2Very high54 Ų5446 Ų4633%0.32724%0.241SC..Hα-helixtrans-67.3-49.6175.4170.70000110.9W86 Q218 G219 F220 I224 G225 F264W86-V222 HydrophobicContact CH2-CG1 4.16Å; W86-V222 HydrophobicContact CZ2-CG1 3.69Å; W86-V222 VanDerWaalsContact CZ2-O 3.25Å; W86-V222 WeakPolarHBondContact CZ2-O 3.08Å; W86-V222 PolarHBondContact NE1-O 3.45Å; Q218-V222 WeakPolarHBondContact O-CG2 3.13Å; Q218-V222 PolarHBondContact O-N 2.66Å; G219-V222 PolarHBondContact O-N 3.02Å; F220-V222 VanDerWaalsContact C-N 3.31Å; F220-V222 PolarHBondContact O-N 3.26Å; V222-I224 PolarHBondContact O-N 3.23Å; V222-G225 PolarHBondContact O-N 2.63Å; V222-F264 HydrophobicContact CB-CD1 3.87Å; V222-F264 HydrophobicContact CB-CE1 3.54Å; V222-F264 HydrophobicContact CB-CZ 4.31Å; V222-F264 HydrophobicContact CG1-CD1 3.76Å; V222-F264 HydrophobicContact CG1-CE1 3.62Å; V222-F264 HydrophobicContact CG1-CG 4.31Å; V222-F264 HydrophobicContact CG1-CZ 4.07Å; V222-F264 HydrophobicContact CG2-CE1 3.78Å; V222-F264 HydrophobicContact CG2-CZ 4.23Å
223V97.8Very high97.3Very high2 Ų241.5 Ų41.51%0.01223%0.226CC..Hα-helixtrans-63.1-42.8-176.5168.50000112.3F87 G219 F220 F264 I267 L271F87-V223 WeakPolarHBondContact CB-O 3.49Å; F87-V223 HydrophobicContact CD1-CB 4.42Å; F87-V223 HydrophobicContact CD1-CG1 3.74Å; F87-V223 HydrophobicContact CD1-CG2 4.35Å; F87-V223 HydrophobicContact CD2-CG2 4.44Å; F87-V223 HydrophobicContact CE1-CG1 3.94Å; F87-V223 HydrophobicContact CE1-CG2 4.02Å; F87-V223 HydrophobicContact CE2-CG2 4.14Å; F87-V223 HydrophobicContact CG-CG1 4.27Å; F87-V223 HydrophobicContact CZ-CG2 3.92Å; G219-V223 WeakPolarHBondContact O-CG2 3.29Å; G219-V223 PolarHBondContact O-N 2.99Å; G219-V223 VanDerWaalsContact O-N 3.15Å; F220-V223 PolarHBondContact O-N 3.34Å; V223-F264 HydrophobicContact CG2-CB 3.82Å; V223-F264 HydrophobicContact CG2-CD1 4.17Å; V223-F264 HydrophobicContact CG2-CG 4.47Å; V223-F264 WeakPolarHBondContact CG2-O 3.4Å; V223-I267 HydrophobicContact CB-CD1 3.95Å; V223-I267 HydrophobicContact CB-CG1 4.3Å; V223-I267 HydrophobicContact CG1-CD1 4.23Å; V223-I267 HydrophobicContact CG1-CG1 4.23Å; V223-I267 HydrophobicContact CG2-CD1 3.82Å; V223-I267 HydrophobicContact CG2-CG1 3.87Å; V223-L271 HydrophobicContact CG1-CD1 4.15Å
224I98.1Very high97.4Very high0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-77.3-29.9175.7-157.9164.8000112F220 V222 H227 L228 F231 L271 C274F220-I224 HydrophobicContact CD1-CG2 4.48Å; F220-I224 HydrophobicContact CE1-CD1 4.04Å; F220-I224 HydrophobicContact CE1-CG2 4.34Å; F220-I224 HydrophobicContact CE2-CD1 4.5Å; F220-I224 HydrophobicContact CZ-CD1 3.72Å; F220-I224 VanDerWaalsContact O-CG2 3.25Å; F220-I224 WeakPolarHBondContact O-CG2 3.42Å; F220-I224 PolarHBondContact O-N 3.25Å; V222-I224 PolarHBondContact O-N 3.23Å; I224-H227 HydrophobicContact CG1-CB 4.01Å; I224-H227 WeakPolarHBondContact O-CB 3.21Å; I224-H227 PolarHBondContact O-N 2.96Å; I224-L228 HydrophobicContact CG2-CB 3.69Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-F231 HydrophobicContact CD1-CB 3.38Å; I224-F231 HydrophobicContact CD1-CD1 3.79Å; I224-F231 HydrophobicContact CD1-CD2 3.97Å; I224-F231 HydrophobicContact CD1-CG 3.42Å; I224-F231 VanDerWaalsContact CD1-CG 3.42Å; I224-L271 HydrophobicContact CG1-CD1 4.44Å; I224-C274 HydrophobicContact CD1-CB 3.94Å
225G96.9Very high97.5Very high17 Ų1737.9 Ų37.918%0.17521%0.212CC..G310 helixtrans58.9-137.5175.100000113A221 V222 H227 L228A221-G225 VanDerWaalsContact O-CA 3.28Å; A221-G225 WeakPolarHBondContact O-CA 3.48Å; A221-G225 PolarHBondContact O-N 3.13Å; V222-G225 PolarHBondContact O-N 2.63Å; G225-H227 PolarHBondContact O-N 3.44Å; G225-L228 PolarHBondContact O-N 2.55Å
226P97.5Very high97.5Very high33 Ų3344.3 Ų44.321%0.21425%0.245CC..G310 helixtrans-58.1-15.1-179.6-25.434.7000115.1L228 P229 L296 S299 L303P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.08Å; P226-P229 WeakPolarHBondContact O-CD 3.17Å; P226-L296 HydrophobicContact CB-CD2 3.95Å; P226-L296 WeakPolarHBondContact O-CD2 3.37Å; P226-S299 VanDerWaalsContact CB-OG 3.3Å; P226-S299 WeakPolarHBondContact CB-OG 3.43Å; P226-S299 WeakPolarHBondContact CG-OG 3.41Å; P226-L303 HydrophobicContact CG-CD1 4.13Å
227H98.4Very high97.5Very high0 Ų043 Ų430%024%0.242CC..G310 helixtrans-75.9-10.5177.6-65.989.6000113.6C81 I224 G225 F230 F231 M275 N300C81-H227 PolarHBondContact O-NE2 3Å; I224-H227 HydrophobicContact CG1-CB 4.01Å; I224-H227 WeakPolarHBondContact O-CB 3.21Å; I224-H227 PolarHBondContact O-N 2.96Å; G225-H227 PolarHBondContact O-N 3.44Å; H227-F230 PolarHBondContact O-N 3.1Å; H227-F231 PolarHBondContact O-N 3.25Å; H227-M275 HydrophobicContact CB-CE 4.49Å; H227-N300 PolarHBondContact CE1-ND2 3.27Å; H227-N300 VanDerWaalsContact CE1-ND2 3.29Å
228L98.1Very high97.5Very high53 Ų5340.6 Ų40.628%0.27723%0.225SC..Hα-helixtrans-51.3-48.4-175-17760.5000114.2F220 A221 I224 G225 P226 F230 F231 L232F220-L228 HydrophobicContact CD1-CD1 4.41Å; F220-L228 HydrophobicContact CE1-CD1 4.09Å; A221-L228 HydrophobicContact CB-CD2 4.31Å; I224-L228 HydrophobicContact CG2-CB 3.69Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; G225-L228 PolarHBondContact O-N 2.55Å; P226-L228 VanDerWaalsContact C-N 3.27Å; P226-L228 PolarHBondContact O-N 3.08Å; L228-F230 VanDerWaalsContact C-N 3.29Å; L228-F230 PolarHBondContact O-N 2.82Å; L228-F231 HydrophobicContact CD1-CD1 4.5Å; L228-F231 WeakPolarHBondContact O-CB 3.16Å; L228-F231 PolarHBondContact O-N 3.26Å; L228-L232 HydrophobicContact CD1-CD1 4.4Å; L228-L232 HydrophobicContact CD1-CG 4.27Å; L228-L232 HydrophobicContact CG-CD1 4.37Å; L228-L232 WeakPolarHBondContact O-CG 3.26Å; L228-L232 PolarHBondContact O-N 3.27Å
229P97.8Very high97.4Very high84 Ų8440.6 Ų40.655%0.54522%0.224SC..Hα-helixtrans-63.3-36.7-179.7-21.434.7000112.5P226 L232 H233P226-P229 WeakPolarHBondContact O-CD 3.17Å; P229-L232 PolarHBondContact O-N 3.47Å; P229-H233 WeakPolarHBondContact O-CB 3.29Å; P229-H233 PolarHBondContact O-N 2.72Å
230F98.2Very high97.2Very high26 Ų2651.7 Ų51.711%0.11427%0.266CS..Hα-helixtrans-71-36.9179.1-59.7-90.7000111.6H227 L228 G234 C278 S281 L282 L285 A292 L296H227-F230 PolarHBondContact O-N 3.1Å; L228-F230 VanDerWaalsContact C-N 3.29Å; L228-F230 PolarHBondContact O-N 2.82Å; F230-G234 PolarHBondContact O-N 2.93Å; F230-C278 HydrophobicContact CB-CB 4.27Å; F230-S281 WeakPolarHBondContact O-CB 3.43Å; F230-S281 PolarHBondContact O-OG 2.61Å; F230-L282 HydrophobicContact CD1-CD1 4.41Å; F230-L282 HydrophobicContact CE1-CD1 4.05Å; F230-L285 HydrophobicContact CD1-CD1 3.94Å; F230-L285 HydrophobicContact CE1-CD1 3.49Å; F230-L285 VanDerWaalsContact CE1-CD1 3.49Å; F230-A292 HydrophobicContact CE1-CB 3.75Å; F230-A292 HydrophobicContact CZ-CB 3.73Å; F230-L296 HydrophobicContact CD2-CD1 3.96Å; F230-L296 HydrophobicContact CD2-CD2 3.89Å; F230-L296 HydrophobicContact CD2-CG 4.26Å; F230-L296 HydrophobicContact CE1-CD1 4.38Å; F230-L296 HydrophobicContact CE2-CD1 3.78Å; F230-L296 HydrophobicContact CE2-CD2 3.64Å; F230-L296 HydrophobicContact CE2-CG 3.75Å; F230-L296 HydrophobicContact CG-CD1 4.35Å; F230-L296 HydrophobicContact CZ-CD1 4.01Å; F230-L296 HydrophobicContact CZ-CG 4.17Å
231F98.4Very high97Very high11 Ų1155.6 Ų55.65%0.04828%0.283CS..Hα-helixtrans-61.6-48.2172.9171.8-105.6000111.6F220 I224 H227 L228 G234 C235 L246 V249 C274 F277F220-F231 AromaticContact CE1-CD1 3.97Å; F220-F231 HydrophobicContact CE1-CD1 3.97Å; F220-F231 AromaticContact CE1-CE1 3.73Å; F220-F231 HydrophobicContact CE1-CE1 3.73Å; F220-F231 HydrophobicContact CE1-CZ 4.49Å; F220-F231 HydrophobicContact CZ-CD1 4.01Å; F220-F231 AromaticContact CZ-CE1 3.6Å; F220-F231 HydrophobicContact CZ-CE1 3.6Å; F220-F231 AromaticContact CZ-CZ 3.93Å; F220-F231 HydrophobicContact CZ-CZ 3.93Å; I224-F231 HydrophobicContact CD1-CB 3.38Å; I224-F231 HydrophobicContact CD1-CD1 3.79Å; I224-F231 HydrophobicContact CD1-CD2 3.97Å; I224-F231 HydrophobicContact CD1-CG 3.42Å; I224-F231 VanDerWaalsContact CD1-CG 3.42Å; H227-F231 PolarHBondContact O-N 3.25Å; L228-F231 HydrophobicContact CD1-CD1 4.5Å; L228-F231 WeakPolarHBondContact O-CB 3.16Å; L228-F231 PolarHBondContact O-N 3.26Å; F231-G234 PolarHBondContact O-N 3.22Å; F231-C235 VanDerWaalsContact CZ-SG 3.51Å; F231-C235 PolarHBondContact O-N 3.39Å; F231-C235 PolarHBondContact O-SG 3.3Å; F231-L246 HydrophobicContact CZ-CD1 4.04Å; F231-V249 HydrophobicContact CZ-CG1 4.41Å; F231-C274 HydrophobicContact CD2-CB 3.68Å; F231-C274 HydrophobicContact CE2-CB 3.82Å; F231-F277 HydrophobicContact CD2-CB 3.92Å; F231-F277 HydrophobicContact CD2-CD2 4.2Å; F231-F277 HydrophobicContact CD2-CG 4.35Å; F231-F277 HydrophobicContact CE2-CB 4.36Å; F231-F277 AromaticContact CE2-CD2 3.82Å; F231-F277 HydrophobicContact CE2-CD2 3.82Å; F231-F277 HydrophobicContact CE2-CG 4.29Å
232L98.2Very high96.9Very high98 Ų9854.4 Ų54.451%0.51327%0.271SS..Hα-helixtrans-62.1-46.4178.9-65.9176.4000111.7L228 P229 G234 C235 I236L228-L232 HydrophobicContact CD1-CD1 4.4Å; L228-L232 HydrophobicContact CD1-CG 4.27Å; L228-L232 HydrophobicContact CG-CD1 4.37Å; L228-L232 WeakPolarHBondContact O-CG 3.26Å; L228-L232 PolarHBondContact O-N 3.27Å; P229-L232 PolarHBondContact O-N 3.47Å; L232-G234 PolarHBondContact O-N 3.15Å; L232-C235 WeakPolarHBondContact O-CB 3.05Å; L232-C235 PolarHBondContact O-N 3.29Å; L232-I236 PolarHBondContact O-N 3.49Å
233H98Very high96.8Very high70 Ų7060 Ų6032%0.32429%0.286SS..Hα-helixtrans-61.6-43.8175.3-179.9-133.1000111.8P229 C235 I236 L237 S281P229-H233 WeakPolarHBondContact O-CB 3.29Å; P229-H233 PolarHBondContact O-N 2.72Å; H233-C235 VanDerWaalsContact C-N 3.33Å; H233-C235 PolarHBondContact O-N 3.4Å; H233-I236 WeakPolarHBondContact O-CB 3.37Å; H233-I236 PolarHBondContact O-N 3.36Å; H233-L237 WeakPolarHBondContact O-CG 3.23Å; H233-L237 PolarHBondContact O-N 3.13Å; H233-S281 PolarHBondContact ND1-OG 3.18Å
234G98Very high96.8Very high0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-62.4-37.8176.500000113.2F230 F231 L232 I236 L237 A238 F277F230-G234 PolarHBondContact O-N 2.93Å; F231-G234 PolarHBondContact O-N 3.22Å; L232-G234 PolarHBondContact O-N 3.15Å; G234-I236 VanDerWaalsContact C-N 3.29Å; G234-I236 PolarHBondContact O-N 3.25Å; G234-L237 PolarHBondContact O-N 3.46Å; G234-A238 WeakPolarHBondContact O-CB 2.98Å; G234-A238 PolarHBondContact O-N 3.04Å; G234-F277 WeakPolarHBondContact CA-O 3.25Å
235C97.9Very high96.7Very high17 Ų1761.8 Ų61.812%0.11530%0.295CS..Hα-helixtrans-58.5-41.9174.4-72.50000111.2F231 L232 H233 F239F231-C235 VanDerWaalsContact CZ-SG 3.51Å; F231-C235 PolarHBondContact O-N 3.39Å; F231-C235 PolarHBondContact O-SG 3.3Å; L232-C235 WeakPolarHBondContact O-CB 3.05Å; L232-C235 PolarHBondContact O-N 3.29Å; H233-C235 VanDerWaalsContact C-N 3.33Å; H233-C235 PolarHBondContact O-N 3.4Å; C235-F239 VanDerWaalsContact O-CA 3.27Å; C235-F239 WeakPolarHBondContact O-CA 3.44Å; C235-F239 WeakPolarHBondContact O-CB 3.27Å; C235-F239 PolarHBondContact O-N 2.84Å
236I97.4Very high96.8Very high135 Ų13561.6 Ų61.669%0.69229%0.29SS*.Hα-helixtrans-64.1-45.4177.7-62.6166.8000110.6L232 H233 G234L232-I236 PolarHBondContact O-N 3.49Å; H233-I236 WeakPolarHBondContact O-CB 3.37Å; H233-I236 PolarHBondContact O-N 3.36Å; G234-I236 VanDerWaalsContact C-N 3.29Å; G234-I236 PolarHBondContact O-N 3.25Å
237L97Very high96.8Very high75 Ų7562.1 Ų62.139%0.39330%0.297SS..Hα-helixtrans-68.6-40-177.5-63.9174.8000113.2H233 G234 I280 H284H233-L237 WeakPolarHBondContact O-CG 3.23Å; H233-L237 PolarHBondContact O-N 3.13Å; G234-L237 PolarHBondContact O-N 3.46Å; L237-I280 HydrophobicContact CB-CG2 4.27Å; L237-I280 HydrophobicContact CD1-CG2 4.4Å; L237-H284 HydrophobicContact CD1-CB 3.98Å
238A95.3Very high96.8Very high9 Ų962.1 Ų62.17%0.07430%0.297CS..Hα-helixtrans-113.39.9-167.800000114.2G234 R240 K241 Y242 F277 I280G234-A238 WeakPolarHBondContact O-CB 2.98Å; G234-A238 PolarHBondContact O-N 3.04Å; A238-R240 VanDerWaalsContact C-N 3.29Å; A238-R240 PolarHBondContact O-N 3.28Å; A238-K241 PolarHBondContact O-N 3.26Å; A238-K241 VanDerWaalsContact O-N 3.1Å; A238-Y242 HydrophobicContact CB-CD2 3.89Å; A238-Y242 PolarHBondContact O-N 2.84Å; A238-F277 HydrophobicContact CB-CD1 4.08Å; A238-F277 HydrophobicContact CB-CE1 4.13Å; A238-I280 HydrophobicContact CB-CD1 3.63Å; A238-I280 HydrophobicContact CB-CG2 4.26Å
239F94.1Very high96.8Very high105 Ų10559.6 Ų59.646%0.46128%0.284SS..THydrogen-bonded Turntrans-47.6-49.5-175.7-177.4-105.5000113C235 R243 L246C235-F239 VanDerWaalsContact O-CA 3.27Å; C235-F239 WeakPolarHBondContact O-CA 3.44Å; C235-F239 WeakPolarHBondContact O-CB 3.27Å; C235-F239 PolarHBondContact O-N 2.84Å; F239-R243 VanDerWaalsContact O-CA 3.28Å; F239-R243 WeakPolarHBondContact O-CA 3.48Å; F239-R243 WeakPolarHBondContact O-CB 3.12Å; F239-R243 PolarHBondContact O-N 2.96Å; F239-R243 VanDerWaalsContact O-N 3.14Å; F239-L246 HydrophobicContact CD2-CD2 3.54Å; F239-L246 HydrophobicContact CE2-CD2 3.76Å
240R92.6Very high96.8Very high234 Ų23459.8 Ų59.888%0.88328%0.28SS*.THydrogen-bonded Turntrans-70.5-39-176.1-66.2-174.1-178.1172.81112.2A238A238-R240 VanDerWaalsContact C-N 3.29Å; A238-R240 PolarHBondContact O-N 3.28Å
241K93.1Very high96.8Very high109 Ų10963.3 Ų63.347%0.47429%0.293SS..THydrogen-bonded Turntrans-73.1-43.1-175.7-172.2173.4179-178.70111.9L69 E70 A238L69-K241 PolarHBondContact O-NZ 3.09Å; E70-K241 WeakPolarHBondContact OE1-CD 3.35Å; E70-K241 WeakPolarHBondContact OE1-CE 3.37Å; E70-K241 IonicContact OE1-NZ 2.97Å; E70-K241 PolarHBondContact OE1-NZ 2.93Å; E70-K241 IonicContact OE2-NZ 3.47Å; E70-K241 PolarHBondContact OE2-NZ 3.36Å; A238-K241 PolarHBondContact O-N 3.26Å; A238-K241 VanDerWaalsContact O-N 3.1Å
242Y95.3Very high96.8Very high10 Ų1062.8 Ų62.84%0.03929%0.29CS..THydrogen-bonded Turntrans-111.531-176.2-63.3-68.9000113.4L69 E70 A238 I244 L245 L246 I276 I280L69-Y242 HydrophobicContact CD1-CE1 4.36Å; E70-Y242 VanDerWaalsContact CD-OH 3.24Å; E70-Y242 VanDerWaalsContact CG-OH 3.23Å; E70-Y242 WeakPolarHBondContact CG-OH 3.48Å; E70-Y242 WeakPolarHBondContact OE1-CE2 3.44Å; E70-Y242 VanDerWaalsContact OE1-CZ 3.25Å; E70-Y242 PolarHBondContact OE1-OH 3.43Å; A238-Y242 HydrophobicContact CB-CD2 3.89Å; A238-Y242 PolarHBondContact O-N 2.84Å; Y242-I244 PolarHBondContact O-N 3.32Å; Y242-I244 VanDerWaalsContact O-N 3.17Å; Y242-L245 HydrophobicContact CD1-CD1 3.73Å; Y242-L245 HydrophobicContact CD1-CG 4.47Å; Y242-L245 HydrophobicContact CE1-CD1 4.48Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3Å; Y242-L246 PolarHBondContact O-N 3.24Å; Y242-I276 HydrophobicContact CD2-CG2 4.31Å; Y242-I276 HydrophobicContact CE1-CG2 4.49Å; Y242-I276 HydrophobicContact CE2-CG2 4.13Å; Y242-I280 HydrophobicContact CD2-CD1 3.87Å; Y242-I280 HydrophobicContact CE2-CD1 3.55Å
243R95.6Very high96.7Very high171 Ų17158.4 Ų58.465%0.64527%0.267SS*.Hα-helixtrans-52.2-41.5-178-172.5179.6176.9-177.6-0.4112.7F239 L246 A247F239-R243 VanDerWaalsContact O-CA 3.28Å; F239-R243 WeakPolarHBondContact O-CA 3.48Å; F239-R243 WeakPolarHBondContact O-CB 3.12Å; F239-R243 PolarHBondContact O-N 2.96Å; F239-R243 VanDerWaalsContact O-N 3.14Å; R243-L246 PolarHBondContact O-N 2.63Å; R243-A247 VanDerWaalsContact O-CB 3.24Å; R243-A247 WeakPolarHBondContact O-CB 3.46Å; R243-A247 PolarHBondContact O-N 2.83Å
244I96.3Very high96.7Very high40 Ų4057.9 Ų57.921%0.20527%0.269CS..Hα-helixtrans-68-37.8-179.2-173.359.9000112.5L114 L146 C149 Y242 A247 T248L114-I244 HydrophobicContact CD2-CG2 4.24Å; L146-I244 HydrophobicContact CD2-CG1 3.82Å; C149-I244 HydrophobicContact CB-CD1 3.63Å; C149-I244 HydrophobicContact CB-CG1 4.03Å; Y242-I244 PolarHBondContact O-N 3.32Å; Y242-I244 VanDerWaalsContact O-N 3.17Å; I244-A247 PolarHBondContact O-N 3.13Å; I244-T248 WeakPolarHBondContact O-CB 3.38Å; I244-T248 PolarHBondContact O-N 2.97Å; I244-T248 PolarHBondContact O-OG1 3.49Å
245L97.3Very high96.7Very high0 Ų059.7 Ų59.70%028%0.28CS..Hα-helixtrans-69.1-43.2177.3-60.5-175.8000110.6L109 L114 L146 Y242 T248 V249 F273 I276L109-L245 HydrophobicContact CD1-CD2 4.13Å; L114-L245 HydrophobicContact CD2-CD2 4.16Å; L114-L245 HydrophobicContact CD2-CG 4.48Å; L146-L245 HydrophobicContact CD2-CD2 4.18Å; Y242-L245 HydrophobicContact CD1-CD1 3.73Å; Y242-L245 HydrophobicContact CD1-CG 4.47Å; Y242-L245 HydrophobicContact CE1-CD1 4.48Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3Å; L245-T248 WeakPolarHBondContact O-CB 3.42Å; L245-T248 PolarHBondContact O-N 3.37Å; L245-T248 VanDerWaalsContact O-N 3.16Å; L245-V249 WeakPolarHBondContact O-CG2 3.37Å; L245-V249 PolarHBondContact O-N 3.38Å; L245-F273 HydrophobicContact CD2-CD2 4.4Å; L245-I276 HydrophobicContact CD1-CD1 3.61Å
246L97.7Very high96.5Very high13 Ų1359 Ų597%0.06828%0.275CS..Hα-helixtrans-62.9-44.1174.6-177.959.1000111.9F231 F239 Y242 R243 T248 V249 L250 F277F231-L246 HydrophobicContact CZ-CD1 4.04Å; F239-L246 HydrophobicContact CD2-CD2 3.54Å; F239-L246 HydrophobicContact CE2-CD2 3.76Å; Y242-L246 PolarHBondContact O-N 3.24Å; R243-L246 PolarHBondContact O-N 2.63Å; L246-T248 PolarHBondContact O-N 3.16Å; L246-V249 PolarHBondContact O-N 3Å; L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.32Å; L246-F277 HydrophobicContact CB-CE2 4.31Å; L246-F277 HydrophobicContact CB-CZ 3.8Å
247A97.8Very high96.5Very high44 Ų4452.7 Ų52.736%0.36424%0.243SC..Hα-helixtrans-59.3-36.3174.600000111.5R243 I244 W251R243-A247 VanDerWaalsContact O-CB 3.24Å; R243-A247 WeakPolarHBondContact O-CB 3.46Å; R243-A247 PolarHBondContact O-N 2.83Å; I244-A247 PolarHBondContact O-N 3.13Å; A247-W251 WeakPolarHBondContact O-CB 3.46Å; A247-W251 PolarHBondContact O-N 3.25Å
248T98.2Very high96.3Very high0 Ų056.6 Ų56.60%026%0.257CS..Hα-helixtrans-68.7-41.2176.9-54.90000112.4V142 P145 L146 I244 L245 L246 T252 F273V142-T248 HydrophobicContact CG1-CG2 4.23Å; V142-T248 WeakPolarHBondContact O-CG2 3.41Å; P145-T248 HydrophobicContact CG-CG2 4.36Å; L146-T248 HydrophobicContact CD1-CG2 4.39Å; L146-T248 HydrophobicContact CG-CG2 4.27Å; I244-T248 WeakPolarHBondContact O-CB 3.38Å; I244-T248 PolarHBondContact O-N 2.97Å; I244-T248 PolarHBondContact O-OG1 3.49Å; L245-T248 WeakPolarHBondContact O-CB 3.42Å; L245-T248 PolarHBondContact O-N 3.37Å; L245-T248 VanDerWaalsContact O-N 3.16Å; L246-T248 PolarHBondContact O-N 3.16Å; T248-T252 WeakPolarHBondContact O-CB 3.5Å; T248-T252 PolarHBondContact O-N 3.15Å; T248-T252 PolarHBondContact O-OG1 3.32Å; T248-F273 HydrophobicContact CG2-CD2 4.24Å; T248-F273 HydrophobicContact CG2-CE2 3.72Å
249V98.4Very high96Very high1 Ų159.6 Ų59.61%0.00627%0.271CS..Hα-helixtrans-59.5-52.2173.1173.60000110.1F220 F231 L245 L246 T252 I253 V270 F273F220-V249 HydrophobicContact CE2-CG1 4.03Å; F220-V249 HydrophobicContact CZ-CG1 4.33Å; F231-V249 HydrophobicContact CZ-CG1 4.41Å; L245-V249 WeakPolarHBondContact O-CG2 3.37Å; L245-V249 PolarHBondContact O-N 3.38Å; L246-V249 PolarHBondContact O-N 3Å; V249-T252 PolarHBondContact O-N 3.47Å; V249-I253 HydrophobicContact CG1-CD1 3.83Å; V249-I253 VanDerWaalsContact O-CG1 3.32Å; V249-I253 WeakPolarHBondContact O-CG1 3.15Å; V249-I253 PolarHBondContact O-N 2.97Å; V249-V270 HydrophobicContact CG2-CB 4.17Å; V249-F273 HydrophobicContact CG2-CB 3.87Å; V249-F273 HydrophobicContact CG2-CD2 4.35Å
250L98.1Very high95.8Very high87 Ų8757 Ų5746%0.45527%0.265SS..Hα-helixtrans-62.6-45.8-179.3-68.1174.5000112.1L246 T252 I253 V254L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CD1-CG 4.39Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.32Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 PolarHBondContact O-N 2.95Å; L250-I253 PolarHBondContact O-N 3.4Å; L250-V254 WeakPolarHBondContact O-CB 3.48Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 3.42Å
251W98.1Very high95.7Very high101 Ų10147.1 Ų47.138%0.38323%0.228SC..Hα-helixtrans-54.7-49.3174.9167.6-95.5000111.6I141 F144 P145 A247 I253 V254 V255I141-W251 PolarHBondContact O-NE1 3.33Å; F144-W251 AromaticContact CD1-CE2 3.84Å; F144-W251 HydrophobicContact CD1-CH2 4.02Å; F144-W251 AromaticContact CD1-CZ2 3.47Å; F144-W251 HydrophobicContact CD1-CZ2 3.47Å; F144-W251 VanDerWaalsContact CD1-CZ2 3.47Å; F144-W251 AromaticContact CE1-CH2 3.99Å; F144-W251 HydrophobicContact CE1-CH2 3.99Å; F144-W251 AromaticContact CE1-CZ2 3.91Å; F144-W251 HydrophobicContact CE1-CZ2 3.91Å; F144-W251 HydrophobicContact CG-CZ2 4.24Å; P145-W251 HydrophobicContact CG-CB 3.76Å; P145-W251 HydrophobicContact CG-CD2 4.02Å; P145-W251 HydrophobicContact CG-CG 3.4Å; P145-W251 VanDerWaalsContact CG-CG 3.4Å; A247-W251 WeakPolarHBondContact O-CB 3.46Å; A247-W251 PolarHBondContact O-N 3.25Å; W251-I253 PolarHBondContact O-N 3.06Å; W251-V254 PolarHBondContact O-N 3.32Å; W251-V255 HydrophobicContact CD2-CG2 3.89Å; W251-V255 HydrophobicContact CE3-CG2 4.31Å; W251-V255 HydrophobicContact CG-CG2 4.41Å; W251-V255 HydrophobicContact CH2-CG2 4.14Å; W251-V255 HydrophobicContact CZ2-CG2 3.7Å; W251-V255 HydrophobicContact CZ3-CG2 4.42Å; W251-V255 WeakPolarHBondContact O-CG2 3.2Å; W251-V255 PolarHBondContact O-N 3.36Å
252T97.8Very high95.7Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-60.2-47-179.5-59.20000110.8V142 T248 V249 L250 V254 V255 Y256 I267 V270V142-T252 HydrophobicContact CG2-CG2 3.89Å; T248-T252 WeakPolarHBondContact O-CB 3.5Å; T248-T252 PolarHBondContact O-N 3.15Å; T248-T252 PolarHBondContact O-OG1 3.32Å; V249-T252 PolarHBondContact O-N 3.47Å; L250-T252 VanDerWaalsContact C-N 3.33Å; L250-T252 PolarHBondContact O-N 2.95Å; T252-V254 PolarHBondContact O-N 3.25Å; T252-V255 PolarHBondContact O-N 2.84Å; T252-Y256 HydrophobicContact CG2-CD2 3.57Å; T252-Y256 HydrophobicContact CG2-CE2 3.63Å; T252-Y256 WeakPolarHBondContact O-CB 3.43Å; T252-Y256 VanDerWaalsContact O-CD2 3.25Å; T252-Y256 WeakPolarHBondContact O-CD2 3.45Å; T252-Y256 PolarHBondContact O-N 2.88Å; T252-I267 HydrophobicContact CG2-CG2 4.46Å; T252-V270 HydrophobicContact CG2-CG1 3.79Å; T252-V270 HydrophobicContact CG2-CG2 4.38Å; T252-V270 WeakPolarHBondContact OG1-CG1 3.44Å
253I97.9Very high95.7Very high6 Ų644 Ų443%0.03122%0.216CC..Hα-helixtrans-60.4-45.3177.4-66.7167.5000111F216 F220 V249 L250 W251 S257F216-I253 HydrophobicContact CD1-CG2 3.88Å; F216-I253 HydrophobicContact CD2-CG2 4.39Å; F216-I253 HydrophobicContact CE1-CG2 3.53Å; F216-I253 HydrophobicContact CE2-CG2 4.09Å; F216-I253 HydrophobicContact CG-CG2 4.3Å; F216-I253 HydrophobicContact CZ-CG2 3.65Å; F220-I253 HydrophobicContact CB-CD1 4.32Å; F220-I253 HydrophobicContact CD1-CD1 4.47Å; F220-I253 HydrophobicContact CD2-CD1 3.43Å; F220-I253 VanDerWaalsContact CD2-CD1 3.43Å; F220-I253 HydrophobicContact CD2-CG1 4.21Å; F220-I253 HydrophobicContact CE2-CD1 3.75Å; F220-I253 HydrophobicContact CG-CD1 3.83Å; F220-I253 HydrophobicContact CZ-CD1 4.39Å; V249-I253 HydrophobicContact CG1-CD1 3.83Å; V249-I253 VanDerWaalsContact O-CG1 3.32Å; V249-I253 WeakPolarHBondContact O-CG1 3.15Å; V249-I253 PolarHBondContact O-N 2.97Å; L250-I253 PolarHBondContact O-N 3.4Å; W251-I253 PolarHBondContact O-N 3.06Å; I253-S257 VanDerWaalsContact O-CB 3.26Å; I253-S257 WeakPolarHBondContact O-CB 3.45Å; I253-S257 PolarHBondContact O-N 2.89Å; I253-S257 PolarHBondContact O-OG 3.3Å
254V97.9Very high95.7Very high58 Ų5839.5 Ų39.535%0.35220%0.201SC..Hα-helixtrans-62.3-50.5179.3170.90000111F216 L250 W251 T252 Y256 S257 F258F216-V254 HydrophobicContact CZ-CG2 3.79Å; L250-V254 WeakPolarHBondContact O-CB 3.48Å; L250-V254 WeakPolarHBondContact O-CG2 3.49Å; L250-V254 PolarHBondContact O-N 3.42Å; W251-V254 PolarHBondContact O-N 3.32Å; T252-V254 PolarHBondContact O-N 3.25Å; V254-Y256 PolarHBondContact O-N 2.79Å; V254-S257 VanDerWaalsContact O-CB 3.3Å; V254-S257 WeakPolarHBondContact O-CB 3.49Å; V254-S257 PolarHBondContact O-N 3.47Å; V254-S257 VanDerWaalsContact O-N 3.11Å; V254-F258 HydrophobicContact CG1-CD2 4.2Å; V254-F258 HydrophobicContact CG1-CE2 3.7Å; V254-F258 WeakPolarHBondContact O-CD2 2.98Å; V254-F258 PolarHBondContact O-N 3.21Å
255V96.6Very high95.6Very high39 Ų3941.6 Ų41.624%0.23621%0.207CC..Hα-helixtrans-61.6-47.4-178.1173.60000111.2I141 W251 T252 S257 F258I141-V255 HydrophobicContact CD1-CG1 3.97Å; I141-V255 HydrophobicContact CG1-CG1 4.19Å; I141-V255 HydrophobicContact CG2-CB 3.85Å; I141-V255 HydrophobicContact CG2-CG1 3.75Å; I141-V255 HydrophobicContact CG2-CG2 4.34Å; W251-V255 HydrophobicContact CD2-CG2 3.89Å; W251-V255 HydrophobicContact CE3-CG2 4.31Å; W251-V255 HydrophobicContact CG-CG2 4.41Å; W251-V255 HydrophobicContact CH2-CG2 4.14Å; W251-V255 HydrophobicContact CZ2-CG2 3.7Å; W251-V255 HydrophobicContact CZ3-CG2 4.42Å; W251-V255 WeakPolarHBondContact O-CG2 3.2Å; W251-V255 PolarHBondContact O-N 3.36Å; T252-V255 PolarHBondContact O-N 2.84Å; V255-S257 PolarHBondContact O-N 3.43Å; V255-F258 PolarHBondContact O-N 3.37Å
256Y94.9Very high95.6Very high1 Ų142.5 Ų42.50%0.00421%0.211CC..Hα-helixtrans-67.2-23.9177-80.5-66.6000113T138 I141 Y215 T252 V254 F258 L259 F266 I267T138-Y256 WeakPolarHBondContact CB-OH 3.28Å; T138-Y256 PolarHBondContact OG1-OH 3.36Å; I141-Y256 HydrophobicContact CD1-CE1 4.08Å; I141-Y256 HydrophobicContact CD1-CE2 4.35Å; I141-Y256 HydrophobicContact CG2-CD2 4.49Å; I141-Y256 HydrophobicContact CG2-CE2 4.24Å; Y215-Y256 HydrophobicContact CE2-CG 4.49Å; T252-Y256 HydrophobicContact CG2-CD2 3.57Å; T252-Y256 HydrophobicContact CG2-CE2 3.63Å; T252-Y256 WeakPolarHBondContact O-CB 3.43Å; T252-Y256 VanDerWaalsContact O-CD2 3.25Å; T252-Y256 WeakPolarHBondContact O-CD2 3.45Å; T252-Y256 PolarHBondContact O-N 2.88Å; V254-Y256 PolarHBondContact O-N 2.79Å; Y256-F258 VanDerWaalsContact C-N 3.29Å; Y256-F258 PolarHBondContact O-N 3.36Å; Y256-L259 HydrophobicContact CD1-CD1 3.8Å; Y256-L259 HydrophobicContact CE1-CD1 4.2Å; Y256-L259 PolarHBondContact O-N 3.16Å; Y256-F266 HydrophobicContact CD1-CB 4.18Å; Y256-F266 HydrophobicContact CD1-CD2 4.29Å; Y256-F266 HydrophobicContact CE1-CB 3.87Å; Y256-F266 HydrophobicContact CE1-CD2 4.2Å; Y256-F266 HydrophobicContact CE1-CG 4.28Å; Y256-I267 HydrophobicContact CD2-CG2 3.96Å; Y256-I267 HydrophobicContact CG-CG2 4.46Å
257S96.1Very high95.5Very high3 Ų342 Ų422%0.02121%0.208CC..Hα-helixtrans-66.6-30.3175.5-68.40000112.7W212 F216 I253 V254 V255 L259 K262W212-S257 WeakPolarHBondContact CA-O 3.33Å; W212-S257 WeakPolarHBondContact O-CB 3.34Å; W212-S257 PolarHBondContact O-OG 3.37Å; F216-S257 VanDerWaalsContact CE2-OG 3.23Å; F216-S257 WeakPolarHBondContact CE2-OG 3.18Å; I253-S257 VanDerWaalsContact O-CB 3.26Å; I253-S257 WeakPolarHBondContact O-CB 3.45Å; I253-S257 PolarHBondContact O-N 2.89Å; I253-S257 PolarHBondContact O-OG 3.3Å; V254-S257 VanDerWaalsContact O-CB 3.3Å; V254-S257 WeakPolarHBondContact O-CB 3.49Å; V254-S257 PolarHBondContact O-N 3.47Å; V254-S257 VanDerWaalsContact O-N 3.11Å; V255-S257 PolarHBondContact O-N 3.43Å; S257-L259 VanDerWaalsContact C-N 3.35Å; S257-K262 WeakPolarHBondContact O-CE 3.34Å; S257-K262 PolarHBondContact O-NZ 3.45Å
258F93Very high95.5Very high158 Ų15840.4 Ų40.469%0.69319%0.192SC*.THydrogen-bonded Turntrans-81.2-10.9176-70.7-69.7000114.1V254 V255 Y256V254-F258 HydrophobicContact CG1-CD2 4.2Å; V254-F258 HydrophobicContact CG1-CE2 3.7Å; V254-F258 WeakPolarHBondContact O-CD2 2.98Å; V254-F258 PolarHBondContact O-N 3.21Å; V255-F258 PolarHBondContact O-N 3.37Å; Y256-F258 VanDerWaalsContact C-N 3.29Å; Y256-F258 PolarHBondContact O-N 3.36Å
259L90.5Very high95.5Very high71 Ų7140.4 Ų40.437%0.37219%0.192SC..SBendtrans-81.7131.1173.2-60-176.1000109.7Y256 S257 K262Y256-L259 HydrophobicContact CD1-CD1 3.8Å; Y256-L259 HydrophobicContact CE1-CD1 4.2Å; Y256-L259 PolarHBondContact O-N 3.16Å; S257-L259 VanDerWaalsContact C-N 3.35Å; L259-K262 VanDerWaalsContact O-CE 3.29Å; L259-K262 WeakPolarHBondContact O-CE 3.4Å; L259-K262 PolarHBondContact O-NZ 2.93Å
260P89.1Confident95.5Very high50 Ų5040.4 Ų40.433%0.32519%0.193SC..SBendtrans-64-46.8-175.7-2435.8000112.1D205 S209 H210 K262D205-P260 WeakPolarHBondContact OD1-CB 3.5Å; D205-P260 WeakPolarHBondContact OD1-CD 3.43Å; D205-P260 WeakPolarHBondContact OD1-CG 3.45Å; S209-P260 WeakPolarHBondContact CA-O 3.43Å; H210-P260 PolarHBondContact N-O 2.88Å; P260-K262 PolarHBondContact O-NZ 3.39Å
261H90.5Very high95.4Very high27 Ų2736.4 Ų36.413%0.12517%0.171CC..SBendtrans-79.7131.2174.4-174.768000112.5A204 Y207 G208 E263 F266A204-H261 HydrophobicContact CB-CB 4.08Å; A204-H261 WeakPolarHBondContact O-CB 3.36Å; Y207-H261 PolarHBondContact O-CE1 3.29Å; Y207-H261 PolarHBondContact O-ND1 2.99Å; Y207-H261 VanDerWaalsContact O-ND1 3.16Å; G208-H261 WeakPolarHBondContact O-CA 3.44Å; G208-H261 PolarHBondContact O-ND1 3.38Å; H261-E263 IonicContact NE2-OE1 3.75Å; H261-F266 AromaticContact CD2-CE2 3.96Å
262K93.5Very high95.4Very high7 Ų731.6 Ų31.63%0.0315%0.153CC..  trans-138.7140-172.9-56.3-176.9177.163.50110.1H210 P211 W214 Y215 S257 L259 P260H210-K262 HydrophobicContact CB-CB 4.34Å; H210-K262 HydrophobicContact CB-CD 3.9Å; H210-K262 HydrophobicContact CB-CG 4.26Å; H210-K262 PolarHBondContact O-NZ 3.45Å; P211-K262 WeakPolarHBondContact O-CE 3.39Å; P211-K262 PolarHBondContact O-NZ 3.2Å; W214-K262 HydrophobicContact CB-CD 3.93Å; W214-K262 HydrophobicContact CD2-CD 4.36Å; W214-K262 HydrophobicContact CE3-CB 3.81Å; W214-K262 HydrophobicContact CE3-CD 3.88Å; W214-K262 HydrophobicContact CE3-CG 4.49Å; W214-K262 HydrophobicContact CG-CD 4.43Å; W214-K262 HydrophobicContact CZ3-CB 3.96Å; Y215-K262 HydrophobicContact CD2-CB 4.48Å; Y215-K262 HydrophobicContact CD2-CD 3.66Å; Y215-K262 HydrophobicContact CD2-CG 4.18Å; Y215-K262 HydrophobicContact CE2-CB 3.65Å; Y215-K262 HydrophobicContact CE2-CD 3.59Å; Y215-K262 HydrophobicContact CE2-CG 3.57Å; S257-K262 WeakPolarHBondContact O-CE 3.34Å; S257-K262 PolarHBondContact O-NZ 3.45Å; L259-K262 VanDerWaalsContact O-CE 3.29Å; L259-K262 WeakPolarHBondContact O-CE 3.4Å; L259-K262 PolarHBondContact O-NZ 2.93Å; P260-K262 PolarHBondContact O-NZ 3.39Å
263E93.9Very high95.4Very high47 Ų4731.6 Ų31.622%0.2215%0.153CC..  trans-139.2149.4173.6-62.9-179166.100110.1Y215 H261 R265 F266Y215-E263 PolarHBondContact OH-N 3.02Å; Y215-E263 VanDerWaalsContact OH-N 3.08Å; Y215-E263 PolarHBondContact OH-O 3.03Å; H261-E263 IonicContact NE2-OE1 3.75Å; E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 HydrophobicContact CB-CG 4.26Å; E263-R265 VanDerWaalsContact CD-NH2 3.3Å; E263-R265 PolarHBondContact O-N 2.75Å; E263-R265 IonicContact OE1-CZ 3.71Å; E263-R265 IonicContact OE1-NH2 3.76Å; E263-R265 PolarHBondContact OE1-NH2 3.03Å; E263-R265 WeakPolarHBondContact OE2-CG 3.42Å; E263-R265 IonicContact OE2-CZ 3.84Å; E263-R265 IonicContact OE2-NE 2.71Å; E263-R265 PolarHBondContact OE2-NE 3.05Å; E263-R265 IonicContact OE2-NH2 3.68Å; E263-R265 PolarHBondContact OE2-NH2 3.19Å; E263-F266 HydrophobicContact CB-CD1 4.1Å; E263-F266 HydrophobicContact CB-CD2 4.15Å; E263-F266 HydrophobicContact CB-CE1 3.98Å; E263-F266 HydrophobicContact CB-CE2 4.04Å; E263-F266 HydrophobicContact CB-CG 4.17Å; E263-F266 HydrophobicContact CB-CZ 3.94Å; E263-F266 VanDerWaalsContact CD-CZ 3.5Å; E263-F266 HydrophobicContact CG-CE1 4.08Å; E263-F266 HydrophobicContact CG-CE2 4.02Å; E263-F266 HydrophobicContact CG-CZ 3.71Å; E263-F266 PolarHBondContact O-N 3.42Å; E263-F266 WeakPolarHBondContact OE2-CE1 3.45Å; E263-F266 WeakPolarHBondContact OE2-CZ 3.4Å
264F95.9Very high95.5Very high76 Ų7631.4 Ų31.433%0.33315%0.152SC..G310 helixtrans-57.9-38.3178.3-61.5-69.2000112.4F87 W214 V222 V223 F266 I267F87-F264 HydrophobicContact CE2-CB 3.91Å; F87-F264 HydrophobicContact CZ-CB 3.92Å; W214-F264 AromaticContact CH2-CD1 3.53Å; W214-F264 HydrophobicContact CH2-CD1 3.53Å; W214-F264 HydrophobicContact CH2-CD2 4.32Å; W214-F264 AromaticContact CH2-CE1 3.34Å; W214-F264 HydrophobicContact CH2-CE1 3.34Å; W214-F264 HydrophobicContact CH2-CE2 4.16Å; W214-F264 HydrophobicContact CH2-CG 4.03Å; W214-F264 AromaticContact CH2-CZ 3.69Å; W214-F264 HydrophobicContact CH2-CZ 3.69Å; W214-F264 HydrophobicContact CZ2-CD1 4.18Å; W214-F264 AromaticContact CZ2-CE1 3.5Å; W214-F264 HydrophobicContact CZ2-CE1 3.5Å; W214-F264 HydrophobicContact CZ2-CE2 4.15Å; W214-F264 AromaticContact CZ2-CZ 3.49Å; W214-F264 HydrophobicContact CZ2-CZ 3.49Å; W214-F264 VanDerWaalsContact CZ2-CZ 3.49Å; W214-F264 HydrophobicContact CZ3-CD1 4.35Å; W214-F264 HydrophobicContact CZ3-CE1 4.37Å; V222-F264 HydrophobicContact CB-CD1 3.87Å; V222-F264 HydrophobicContact CB-CE1 3.54Å; V222-F264 HydrophobicContact CB-CZ 4.31Å; V222-F264 HydrophobicContact CG1-CD1 3.76Å; V222-F264 HydrophobicContact CG1-CE1 3.62Å; V222-F264 HydrophobicContact CG1-CG 4.31Å; V222-F264 HydrophobicContact CG1-CZ 4.07Å; V222-F264 HydrophobicContact CG2-CE1 3.78Å; V222-F264 HydrophobicContact CG2-CZ 4.23Å; V223-F264 HydrophobicContact CG2-CB 3.82Å; V223-F264 HydrophobicContact CG2-CD1 4.17Å; V223-F264 HydrophobicContact CG2-CG 4.47Å; V223-F264 WeakPolarHBondContact CG2-O 3.4Å; F264-F266 VanDerWaalsContact C-N 3.27Å; F264-F266 PolarHBondContact O-N 3.01Å; F264-I267 WeakPolarHBondContact O-CG1 3.49Å; F264-I267 PolarHBondContact O-N 3.21Å
265R95.4Very high95.5Very high85 Ų8528.6 Ų28.632%0.32114%0.136SC..G310 helixtrans-68.6-18.3-176.865.3176.2176.8-160.2-12.8114.5F87 N98 E263 I267 Y268F87-R265 HydrophobicContact CZ-CB 4.44Å; N98-R265 HydrophobicContact CB-CB 4.34Å; N98-R265 WeakPolarHBondContact OD1-CD 3.27Å; E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 HydrophobicContact CB-CG 4.26Å; E263-R265 VanDerWaalsContact CD-NH2 3.3Å; E263-R265 PolarHBondContact O-N 2.75Å; E263-R265 IonicContact OE1-CZ 3.71Å; E263-R265 IonicContact OE1-NH2 3.76Å; E263-R265 PolarHBondContact OE1-NH2 3.03Å; E263-R265 WeakPolarHBondContact OE2-CG 3.42Å; E263-R265 IonicContact OE2-CZ 3.84Å; E263-R265 IonicContact OE2-NE 2.71Å; E263-R265 PolarHBondContact OE2-NE 3.05Å; E263-R265 IonicContact OE2-NH2 3.68Å; E263-R265 PolarHBondContact OE2-NH2 3.19Å; R265-I267 VanDerWaalsContact C-N 3.28Å; R265-I267 PolarHBondContact O-N 3.19Å; R265-Y268 VanDerWaalsContact O-CB 3.27Å; R265-Y268 WeakPolarHBondContact O-CB 3.34Å; R265-Y268 PolarHBondContact O-N 3.13Å
266F95.6Very high95.5Very high19 Ų1926.8 Ų26.88%0.08312%0.124CC..G310 helixtrans-67.5-29.1-179.6-66-9.6000113.2R136 Y256 H261 E263 F264 P269R136-F266 VanDerWaalsContact NH2-CD1 3.3Å; Y256-F266 HydrophobicContact CD1-CB 4.18Å; Y256-F266 HydrophobicContact CD1-CD2 4.29Å; Y256-F266 HydrophobicContact CE1-CB 3.87Å; Y256-F266 HydrophobicContact CE1-CD2 4.2Å; Y256-F266 HydrophobicContact CE1-CG 4.28Å; H261-F266 AromaticContact CD2-CE2 3.96Å; E263-F266 HydrophobicContact CB-CD1 4.1Å; E263-F266 HydrophobicContact CB-CD2 4.15Å; E263-F266 HydrophobicContact CB-CE1 3.98Å; E263-F266 HydrophobicContact CB-CE2 4.04Å; E263-F266 HydrophobicContact CB-CG 4.17Å; E263-F266 HydrophobicContact CB-CZ 3.94Å; E263-F266 VanDerWaalsContact CD-CZ 3.5Å; E263-F266 HydrophobicContact CG-CE1 4.08Å; E263-F266 HydrophobicContact CG-CE2 4.02Å; E263-F266 HydrophobicContact CG-CZ 3.71Å; E263-F266 PolarHBondContact O-N 3.42Å; E263-F266 WeakPolarHBondContact OE2-CE1 3.45Å; E263-F266 WeakPolarHBondContact OE2-CZ 3.4Å; F264-F266 VanDerWaalsContact C-N 3.27Å; F264-F266 PolarHBondContact O-N 3.01Å; F266-P269 WeakPolarHBondContact O-CD 3.39Å
267I97.4Very high95.7Very high1 Ų126.7 Ų26.71%0.00512%0.124CC..G310 helixtrans-97.37.8177.561.8163.6000112.6Y215 F220 V223 T252 Y256 F264 R265 P269 V270Y215-I267 HydrophobicContact CD1-CD1 3.86Å; Y215-I267 HydrophobicContact CD1-CG1 4.34Å; Y215-I267 HydrophobicContact CD1-CG2 4.03Å; Y215-I267 HydrophobicContact CE1-CD1 4.04Å; Y215-I267 HydrophobicContact CE1-CG1 4.02Å; Y215-I267 HydrophobicContact CE1-CG2 3.71Å; F220-I267 HydrophobicContact CB-CD1 4.34Å; F220-I267 HydrophobicContact CD2-CD1 4.24Å; V223-I267 HydrophobicContact CB-CD1 3.95Å; V223-I267 HydrophobicContact CB-CG1 4.3Å; V223-I267 HydrophobicContact CG1-CD1 4.23Å; V223-I267 HydrophobicContact CG1-CG1 4.23Å; V223-I267 HydrophobicContact CG2-CD1 3.82Å; V223-I267 HydrophobicContact CG2-CG1 3.87Å; T252-I267 HydrophobicContact CG2-CG2 4.46Å; Y256-I267 HydrophobicContact CD2-CG2 3.96Å; Y256-I267 HydrophobicContact CG-CG2 4.46Å; F264-I267 WeakPolarHBondContact O-CG1 3.49Å; F264-I267 PolarHBondContact O-N 3.21Å; R265-I267 VanDerWaalsContact C-N 3.28Å; R265-I267 PolarHBondContact O-N 3.19Å; I267-P269 VanDerWaalsContact C-N 3.32Å; I267-V270 HydrophobicContact CB-CG2 4.24Å; I267-V270 WeakPolarHBondContact O-CG2 3.16Å; I267-V270 PolarHBondContact O-N 3.37Å
268Y97.5Very high95.8Very high11 Ų1126.6 Ų26.64%0.04312%0.123CC..G310 helixtrans-54.7-39.7174.5-172.2-144.5000113.7F87 C91 T99 T102 R265 V270 L271F87-Y268 AromaticContact CD1-CD2 3.65Å; F87-Y268 HydrophobicContact CD1-CD2 3.65Å; F87-Y268 HydrophobicContact CD1-CE2 4.2Å; F87-Y268 HydrophobicContact CD1-CG 4.31Å; F87-Y268 AromaticContact CE1-CD2 3.77Å; F87-Y268 HydrophobicContact CE1-CD2 3.77Å; F87-Y268 AromaticContact CE1-CG 3.97Å; F87-Y268 HydrophobicContact CE1-CG 3.97Å; C91-Y268 HydrophobicContact CB-CD1 4Å; C91-Y268 HydrophobicContact CB-CE1 3.69Å; C91-Y268 HydrophobicContact CB-CE2 4.45Å; T99-Y268 HydrophobicContact CG2-CE1 4.43Å; T102-Y268 HydrophobicContact CG2-CD1 4.01Å; T102-Y268 HydrophobicContact CG2-CD2 4.46Å; T102-Y268 HydrophobicContact CG2-CE1 3.78Å; T102-Y268 HydrophobicContact CG2-CE2 4.28Å; T102-Y268 HydrophobicContact CG2-CG 4.33Å; T102-Y268 WeakPolarHBondContact OG1-CD1 3.45Å; T102-Y268 WeakPolarHBondContact OG1-CE1 3.45Å; R265-Y268 VanDerWaalsContact O-CB 3.27Å; R265-Y268 WeakPolarHBondContact O-CB 3.34Å; R265-Y268 PolarHBondContact O-N 3.13Å; Y268-V270 PolarHBondContact O-N 3.47Å; Y268-V270 VanDerWaalsContact O-N 3.1Å; Y268-L271 HydrophobicContact CD2-CB 4.17Å; Y268-L271 HydrophobicContact CD2-CD2 3.93Å; Y268-L271 HydrophobicContact CE2-CD2 3.82Å; Y268-L271 VanDerWaalsContact O-CB 3.23Å; Y268-L271 WeakPolarHBondContact O-CB 3.44Å; Y268-L271 PolarHBondContact O-N 2.94Å
269P97.3Very high96.1Very high0 Ų019 Ų190%09%0.09CC..G310 helixtrans-64.6-18.7-175.6-22.132.7000115.2E101 T102 V142 F266 I267 P272E101-P269 HydrophobicContact CB-CG 4.27Å; E101-P269 VanDerWaalsContact CD-CG 3.41Å; E101-P269 HydrophobicContact CG-CB 4.22Å; E101-P269 HydrophobicContact CG-CG 3.56Å; E101-P269 WeakPolarHBondContact OE2-CG 3.34Å; T102-P269 VanDerWaalsContact OG1-CA 3.26Å; T102-P269 WeakPolarHBondContact OG1-CA 3.45Å; V142-P269 HydrophobicContact CG2-CB 4.14Å; F266-P269 WeakPolarHBondContact O-CD 3.39Å; I267-P269 VanDerWaalsContact C-N 3.32Å; P269-P272 WeakPolarHBondContact O-CD 3.47Å
270V97.6Very high96.4Very high2 Ų216 Ų161%0.0127%0.074CC..G310 helixtrans-91-10.2175.9-65.30000113.3V142 V249 T252 I267 Y268 F273 C274V142-V270 HydrophobicContact CG1-CG1 3.89Å; V142-V270 HydrophobicContact CG2-CG1 4.13Å; V249-V270 HydrophobicContact CG2-CB 4.17Å; T252-V270 HydrophobicContact CG2-CG1 3.79Å; T252-V270 HydrophobicContact CG2-CG2 4.38Å; T252-V270 WeakPolarHBondContact OG1-CG1 3.44Å; I267-V270 HydrophobicContact CB-CG2 4.24Å; I267-V270 WeakPolarHBondContact O-CG2 3.16Å; I267-V270 PolarHBondContact O-N 3.37Å; Y268-V270 PolarHBondContact O-N 3.47Å; Y268-V270 VanDerWaalsContact O-N 3.1Å; V270-F273 WeakPolarHBondContact O-CB 3.23Å; V270-F273 PolarHBondContact O-N 3.16Å; V270-C274 PolarHBondContact O-N 3.3Å
271L97.9Very high96.8Very high2 Ų213.8 Ų13.81%0.016%0.06CC..Hα-helixtrans-57.6-43.4179.1-172.466.5000113.2F87 V223 I224 Y268 F273 C274 M275F87-L271 HydrophobicContact CB-CD2 4.34Å; F87-L271 HydrophobicContact CD1-CD2 4.23Å; V223-L271 HydrophobicContact CG1-CD1 4.15Å; I224-L271 HydrophobicContact CG1-CD1 4.44Å; Y268-L271 HydrophobicContact CD2-CB 4.17Å; Y268-L271 HydrophobicContact CD2-CD2 3.93Å; Y268-L271 HydrophobicContact CE2-CD2 3.82Å; Y268-L271 VanDerWaalsContact O-CB 3.23Å; Y268-L271 WeakPolarHBondContact O-CB 3.44Å; Y268-L271 PolarHBondContact O-N 2.94Å; L271-F273 PolarHBondContact O-N 3.21Å; L271-C274 WeakPolarHBondContact O-CB 2.93Å; L271-C274 PolarHBondContact O-N 3.3Å; L271-M275 HydrophobicContact CD1-CE 3.31Å; L271-M275 HydrophobicContact CD2-CE 4.26Å; L271-M275 HydrophobicContact CG-CE 3.64Å; L271-M275 WeakPolarHBondContact O-CG 3.07Å; L271-M275 PolarHBondContact O-N 3.31Å; L271-M275 VanDerWaalsContact O-N 3.08Å
272P97.6Very high97.1Very high1 Ų112.5 Ų12.51%0.0065%0.054CC..Hα-helixtrans-57.4-32.3175.5-23.934.4000112.9F62 T102 C106 P269 M275F62-P272 HydrophobicContact CE2-CB 4.12Å; F62-P272 HydrophobicContact CZ-CB 4.22Å; F62-P272 WeakPolarHBondContact CZ-O 3.32Å; T102-P272 HydrophobicContact CG2-CG 3.97Å; C106-P272 WeakPolarHBondContact SG-CG 3.49Å; P269-P272 WeakPolarHBondContact O-CD 3.47Å; P272-M275 PolarHBondContact O-N 3.34Å
273F98.1Very high97.3Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-70.5-38.9179.7-55.61.1000109.9T105 L109 V142 L146 L245 T248 V249 V270 L271 M275 I276 F277T105-F273 HydrophobicContact CG2-CE1 3.89Å; T105-F273 HydrophobicContact CG2-CZ 3.72Å; L109-F273 HydrophobicContact CD1-CE1 4.3Å; L109-F273 HydrophobicContact CD1-CZ 4.43Å; L109-F273 HydrophobicContact CD2-CD1 3.98Å; L109-F273 HydrophobicContact CD2-CE1 3.75Å; L109-F273 HydrophobicContact CG-CE1 4.5Å; V142-F273 HydrophobicContact CG1-CE2 4.13Å; V142-F273 HydrophobicContact CG1-CZ 4.24Å; L146-F273 HydrophobicContact CD1-CE2 4.18Å; L146-F273 HydrophobicContact CD1-CZ 4.18Å; L245-F273 HydrophobicContact CD2-CD2 4.4Å; T248-F273 HydrophobicContact CG2-CD2 4.24Å; T248-F273 HydrophobicContact CG2-CE2 3.72Å; V249-F273 HydrophobicContact CG2-CB 3.87Å; V249-F273 HydrophobicContact CG2-CD2 4.35Å; V270-F273 WeakPolarHBondContact O-CB 3.23Å; V270-F273 PolarHBondContact O-N 3.16Å; L271-F273 PolarHBondContact O-N 3.21Å; F273-M275 VanDerWaalsContact C-N 3.3Å; F273-M275 PolarHBondContact O-N 3.2Å; F273-I276 PolarHBondContact O-N 2.93Å; F273-F277 WeakPolarHBondContact O-CD2 3.12Å
274C98.4Very high97.4Very high1 Ų115.4 Ų15.41%0.0077%0.069CC..Hα-helixtrans-61.6-38.1173.1-58.60000112.1I224 F231 V270 L271 I276 F277 C278I224-C274 HydrophobicContact CD1-CB 3.94Å; F231-C274 HydrophobicContact CD2-CB 3.68Å; F231-C274 HydrophobicContact CE2-CB 3.82Å; V270-C274 PolarHBondContact O-N 3.3Å; L271-C274 WeakPolarHBondContact O-CB 2.93Å; L271-C274 PolarHBondContact O-N 3.3Å; C274-I276 PolarHBondContact O-N 2.93Å; C274-F277 PolarHBondContact O-N 2.87Å; C274-F277 VanDerWaalsContact O-N 3.07Å; C274-C278 PolarHBondContact O-N 3.43Å; C274-C278 VanDerWaalsContact O-N 3.13Å; C274-C278 PolarHBondContact O-SG 2.81Å; C274-C278 VanDerWaalsContact O-SG 3.36Å
275M98.2Very high97.2Very high0 Ų014.3 Ų14.30%07%0.066CC..Hα-helixtrans-63.4-27.7-178-64.1-58148.700113.4C81 H82 H227 L271 P272 F273 C278 G279C81-M275 HydrophobicContact CB-SD 3.86Å; H82-M275 HydrophobicContact CB-CB 4.16Å; H82-M275 HydrophobicContact CB-CG 4.11Å; H227-M275 HydrophobicContact CB-CE 4.49Å; L271-M275 HydrophobicContact CD1-CE 3.31Å; L271-M275 HydrophobicContact CD2-CE 4.26Å; L271-M275 HydrophobicContact CG-CE 3.64Å; L271-M275 WeakPolarHBondContact O-CG 3.07Å; L271-M275 PolarHBondContact O-N 3.31Å; L271-M275 VanDerWaalsContact O-N 3.08Å; P272-M275 PolarHBondContact O-N 3.34Å; F273-M275 VanDerWaalsContact C-N 3.3Å; F273-M275 PolarHBondContact O-N 3.2Å; M275-C278 PolarHBondContact O-N 3.01Å; M275-G279 PolarHBondContact O-N 3.18Å
276I97.9Very high97Very high0 Ų018.5 Ų18.50%09%0.087CC..Hα-helixtrans-60.4-47172.8-56.8175.7000110.3F62 I66 T78 Y242 L245 F273 C274 G279 I280F62-I276 HydrophobicContact CE2-CD1 4.09Å; F62-I276 HydrophobicContact CE2-CG1 4.08Å; F62-I276 HydrophobicContact CZ-CD1 4.25Å; F62-I276 HydrophobicContact CZ-CG1 3.72Å; I66-I276 HydrophobicContact CD1-CD1 3.61Å; I66-I276 HydrophobicContact CD1-CG1 3.67Å; I66-I276 HydrophobicContact CD1-CG2 4.48Å; T78-I276 HydrophobicContact CG2-CG1 4.25Å; Y242-I276 HydrophobicContact CD2-CG2 4.31Å; Y242-I276 HydrophobicContact CE1-CG2 4.49Å; Y242-I276 HydrophobicContact CE2-CG2 4.13Å; L245-I276 HydrophobicContact CD1-CD1 3.61Å; F273-I276 PolarHBondContact O-N 2.93Å; C274-I276 PolarHBondContact O-N 2.93Å; I276-G279 PolarHBondContact O-N 3.06Å; I276-I280 HydrophobicContact CG2-CD1 4.04Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.37Å; I276-I280 PolarHBondContact O-N 3.2Å; I276-I280 VanDerWaalsContact O-N 3.09Å
277F98.5Very high96.8Very high0 Ų021.9 Ų21.90%012%0.119CC..Hα-helixtrans-65.4-40.7177.4-63.3-80.4000111.6F231 G234 A238 L246 F273 C274 G279 I280 S281F231-F277 HydrophobicContact CD2-CB 3.92Å; F231-F277 HydrophobicContact CD2-CD2 4.2Å; F231-F277 HydrophobicContact CD2-CG 4.35Å; F231-F277 HydrophobicContact CE2-CB 4.36Å; F231-F277 AromaticContact CE2-CD2 3.82Å; F231-F277 HydrophobicContact CE2-CD2 3.82Å; F231-F277 HydrophobicContact CE2-CG 4.29Å; G234-F277 WeakPolarHBondContact CA-O 3.25Å; A238-F277 HydrophobicContact CB-CD1 4.08Å; A238-F277 HydrophobicContact CB-CE1 4.13Å; L246-F277 HydrophobicContact CB-CE2 4.31Å; L246-F277 HydrophobicContact CB-CZ 3.8Å; F273-F277 WeakPolarHBondContact O-CD2 3.12Å; C274-F277 PolarHBondContact O-N 2.87Å; C274-F277 VanDerWaalsContact O-N 3.07Å; F277-G279 PolarHBondContact O-N 3.37Å; F277-I280 PolarHBondContact O-N 3.16Å; F277-S281 WeakPolarHBondContact O-CB 3.28Å; F277-S281 PolarHBondContact O-N 2.92Å
278C98.4Very high96.7Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-59.6-45.3175.9-60.70000112.1C81 F230 C274 M275 S281 L282C81-C278 HydrophobicContact CB-CB 3.95Å; F230-C278 HydrophobicContact CB-CB 4.27Å; C274-C278 PolarHBondContact O-N 3.43Å; C274-C278 VanDerWaalsContact O-N 3.13Å; C274-C278 PolarHBondContact O-SG 2.81Å; C274-C278 VanDerWaalsContact O-SG 3.36Å; M275-C278 PolarHBondContact O-N 3.01Å; C278-S281 WeakPolarHBondContact O-CB 3.25Å; C278-S281 PolarHBondContact O-N 3.22Å; C278-L282 WeakPolarHBondContact O-CB 3.42Å; C278-L282 PolarHBondContact O-N 2.8Å
279G97.9Very high96.5Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-64.4-40.4178.400000113.2M275 I276 F277 L282 A283M275-G279 PolarHBondContact O-N 3.18Å; I276-G279 PolarHBondContact O-N 3.06Å; F277-G279 PolarHBondContact O-N 3.37Å; G279-L282 PolarHBondContact O-N 3.16Å; G279-A283 WeakPolarHBondContact O-CB 3.39Å; G279-A283 PolarHBondContact O-N 2.02Å
280I97.8Very high96.5Very high8 Ų838.7 Ų38.74%0.04119%0.187CC..Hα-helixtrans-61.9-46.1174.3-67.8166.1000110.8V74 L237 A238 Y242 I276 F277 A283 H284V74-I280 HydrophobicContact CG1-CG1 3.58Å; L237-I280 HydrophobicContact CB-CG2 4.27Å; L237-I280 HydrophobicContact CD1-CG2 4.4Å; A238-I280 HydrophobicContact CB-CD1 3.63Å; A238-I280 HydrophobicContact CB-CG2 4.26Å; Y242-I280 HydrophobicContact CD2-CD1 3.87Å; Y242-I280 HydrophobicContact CE2-CD1 3.55Å; I276-I280 HydrophobicContact CG2-CD1 4.04Å; I276-I280 VanDerWaalsContact O-CG1 3.29Å; I276-I280 WeakPolarHBondContact O-CG1 3.37Å; I276-I280 PolarHBondContact O-N 3.2Å; I276-I280 VanDerWaalsContact O-N 3.09Å; F277-I280 PolarHBondContact O-N 3.16Å; I280-A283 PolarHBondContact O-N 2.86Å; I280-H284 PolarHBondContact O-N 2.83Å; I280-H284 PolarHBondContact O-ND1 2.86Å
281S98Very high96.4Very high2 Ų241.8 Ų41.81%0.01421%0.208CC..Hα-helixtrans-57.3-50175.9172.60000111.4F230 H233 F277 C278 A283 H284 L285F230-S281 WeakPolarHBondContact O-CB 3.43Å; F230-S281 PolarHBondContact O-OG 2.61Å; H233-S281 PolarHBondContact ND1-OG 3.18Å; F277-S281 WeakPolarHBondContact O-CB 3.28Å; F277-S281 PolarHBondContact O-N 2.92Å; C278-S281 WeakPolarHBondContact O-CB 3.25Å; C278-S281 PolarHBondContact O-N 3.22Å; S281-A283 PolarHBondContact O-N 3.43Å; S281-H284 WeakPolarHBondContact O-CB 3.37Å; S281-H284 PolarHBondContact O-N 3.45Å; S281-L285 WeakPolarHBondContact O-CG 3.45Å; S281-L285 PolarHBondContact O-N 2.85Å
282L97.1Very high96.4Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-65-39.6-176.6-166.856.8000112.2W77 F80 F230 C278 G279 H284 L285 R289 A292 A293 L296W77-L282 HydrophobicContact CB-CB 4.31Å; W77-L282 HydrophobicContact CB-CD2 4.37Å; W77-L282 HydrophobicContact CD2-CD2 3.99Å; W77-L282 HydrophobicContact CD2-CG 4.1Å; W77-L282 HydrophobicContact CE3-CD2 3.28Å; W77-L282 HydrophobicContact CE3-CG 3.83Å; W77-L282 HydrophobicContact CG-CD2 4.44Å; W77-L282 HydrophobicContact CG-CG 4.39Å; W77-L282 HydrophobicContact CZ3-CD2 3.86Å; W77-L282 HydrophobicContact CZ3-CG 4.38Å; F80-L282 HydrophobicContact CD1-CD2 3.96Å; F80-L282 HydrophobicContact CE1-CD2 4.24Å; F230-L282 HydrophobicContact CD1-CD1 4.41Å; F230-L282 HydrophobicContact CE1-CD1 4.05Å; C278-L282 WeakPolarHBondContact O-CB 3.42Å; C278-L282 PolarHBondContact O-N 2.8Å; G279-L282 PolarHBondContact O-N 3.16Å; L282-H284 PolarHBondContact O-N 3.4Å; L282-L285 HydrophobicContact CD1-CD1 4.15Å; L282-L285 PolarHBondContact O-N 3.15Å; L282-R289 HydrophobicContact CD1-CG 4.05Å; L282-R289 HydrophobicContact CG-CG 4.05Å; L282-R289 WeakPolarHBondContact O-CG 3.34Å; L282-A292 HydrophobicContact CD1-CB 3.84Å; L282-A293 HydrophobicContact CD2-CB 4.32Å; L282-L296 HydrophobicContact CD2-CD1 4.5Å
283A96.4Very high96.4Very high11 Ų1142.6 Ų42.69%0.09121%0.214CC..Hα-helixtrans-59.5-33.7173.500000112.5V74 G279 I280 S281 R289V74-A283 HydrophobicContact CG2-CB 3.75Å; G279-A283 WeakPolarHBondContact O-CB 3.39Å; G279-A283 PolarHBondContact O-N 2.02Å; I280-A283 PolarHBondContact O-N 2.86Å; S281-A283 PolarHBondContact O-N 3.43Å; A283-R289 PolarHBondContact O-NH2 3.48Å
284H96.3Very high96.4Very high105 Ų10545.2 Ų45.249%0.48624%0.236SC..Hα-helixtrans-76.4-21.3178.7-78.681.1000114.5L237 I280 S281 L282 K286L237-H284 HydrophobicContact CD1-CB 3.98Å; I280-H284 PolarHBondContact O-N 2.83Å; I280-H284 PolarHBondContact O-ND1 2.86Å; S281-H284 WeakPolarHBondContact O-CB 3.37Å; S281-H284 PolarHBondContact O-N 3.45Å; L282-H284 PolarHBondContact O-N 3.4Å; H284-K286 PolarHBondContact O-N 2.96Å
285L92.9Very high96.3Very high52 Ų5251 Ų5127%0.27227%0.266SS..THydrogen-bonded Turntrans-71.21.4-172.9-72.5175.3000115.6F230 S281 L282 A287 W288 R289 A292F230-L285 HydrophobicContact CD1-CD1 3.94Å; F230-L285 HydrophobicContact CE1-CD1 3.49Å; F230-L285 VanDerWaalsContact CE1-CD1 3.49Å; S281-L285 WeakPolarHBondContact O-CG 3.45Å; S281-L285 PolarHBondContact O-N 2.85Å; L282-L285 HydrophobicContact CD1-CD1 4.15Å; L282-L285 PolarHBondContact O-N 3.15Å; L285-A287 PolarHBondContact O-N 2.94Å; L285-W288 HydrophobicContact CB-CB 4.44Å; L285-W288 PolarHBondContact O-N 3.22Å; L285-R289 HydrophobicContact CB-CB 4.48Å; L285-A292 HydrophobicContact CD1-CB 4.26Å
286K89.5Confident96.3Very high174 Ų17451.2 Ų51.276%0.75727%0.267SS*.G310 helixtrans38.8-105176.6-64.3-178.4-176.9-179.60112.5H284 W288 R289H284-K286 PolarHBondContact O-N 2.96Å; K286-W288 PolarHBondContact O-N 3.29Å; K286-R289 WeakPolarHBondContact O-CB 3.25Å; K286-R289 PolarHBondContact O-N 3.38Å
287A92.4Very high96.3Very high90 Ų9054.7 Ų54.774%0.74429%0.286SS*.G310 helixtrans-65.3-32.5-176.900000114.3L285 R289L285-A287 PolarHBondContact O-N 2.94Å; A287-R289 VanDerWaalsContact C-N 3.26Å; A287-R289 PolarHBondContact O-N 3.26Å
288W94.4Very high96.3Very high193 Ų19358.9 Ų58.973%0.73131%0.311SS*.G310 helixtrans-84.70.3-179.5-71.595.7000113.5L285 K286 P291 A292L285-W288 HydrophobicContact CB-CB 4.44Å; L285-W288 PolarHBondContact O-N 3.22Å; K286-W288 PolarHBondContact O-N 3.29Å; W288-P291 HydrophobicContact CE3-CG 4.16Å; W288-P291 WeakPolarHBondContact O-CD 3.41Å; W288-P291 WeakPolarHBondContact O-CG 3.39Å; W288-A292 WeakPolarHBondContact O-CB 3.39Å; W288-A292 PolarHBondContact O-N 3.35Å
289R95Very high96.2Very high44 Ų4460.6 Ų60.617%0.16632%0.323CS..Hα-helixtrans-63.3-51.1-173.7-173.2-175.1-42.5-170.4-5.5113.4D73 W77 L282 A283 L285 K286 A287 A292 A293D73-R289 VanDerWaalsContact CG-NH1 3.31Å; D73-R289 IonicContact OD1-NH1 3.37Å; D73-R289 PolarHBondContact OD1-NH1 3.08Å; D73-R289 IonicContact OD2-CZ 3.78Å; D73-R289 IonicContact OD2-NH1 2.73Å; D73-R289 PolarHBondContact OD2-NH1 3.2Å; D73-R289 IonicContact OD2-NH2 3.95Å; D73-R289 PolarHBondContact OD2-NH2 2.79Å; W77-R289 HydrophobicContact CD2-CG 4.46Å; W77-R289 HydrophobicContact CH2-CG 3.99Å; W77-R289 HydrophobicContact CZ2-CG 3.75Å; W77-R289 HydrophobicContact CZ3-CG 4.49Å; L282-R289 HydrophobicContact CD1-CG 4.05Å; L282-R289 HydrophobicContact CG-CG 4.05Å; L282-R289 WeakPolarHBondContact O-CG 3.34Å; A283-R289 PolarHBondContact O-NH2 3.48Å; L285-R289 HydrophobicContact CB-CB 4.48Å; K286-R289 WeakPolarHBondContact O-CB 3.25Å; K286-R289 PolarHBondContact O-N 3.38Å; A287-R289 VanDerWaalsContact C-N 3.26Å; A287-R289 PolarHBondContact O-N 3.26Å; R289-A292 PolarHBondContact O-N 2.91Å; R289-A293 WeakPolarHBondContact O-CB 3.44Å; R289-A293 PolarHBondContact O-N 3.32Å
290Q95.4Very high96.2Very high128 Ų12860.6 Ų60.660%0.59832%0.323SS*.Hα-helixtrans-64.4-48.6-178.8-61.8-60.8-18.300112.9A292 A293 A294Q290-A292 VanDerWaalsContact C-N 3.3Å; Q290-A292 PolarHBondContact O-N 3.18Å; Q290-A293 PolarHBondContact O-N 3.45Å; Q290-A294 WeakPolarHBondContact O-CB 3.46Å; Q290-A294 PolarHBondContact O-N 2.99Å
291P97.1Very high96.2Very high67 Ų6763.7 Ų63.744%0.43534%0.339SS..Hα-helixtrans-63.7-36.8176.322.7-32.1000112.2W288 A294 L295W288-P291 HydrophobicContact CE3-CG 4.16Å; W288-P291 WeakPolarHBondContact O-CD 3.41Å; W288-P291 WeakPolarHBondContact O-CG 3.39Å; P291-A294 PolarHBondContact O-N 3.24Å; P291-L295 WeakPolarHBondContact O-CB 3.31Å; P291-L295 PolarHBondContact O-N 3.06Å
292A97.3Very high96.2Very high14 Ų1468 Ų6812%0.11637%0.365CS..Hα-helixtrans-62.3-44.6173.800000112.6F230 L282 L285 W288 R289 Q290 L295 L296F230-A292 HydrophobicContact CE1-CB 3.75Å; F230-A292 HydrophobicContact CZ-CB 3.73Å; L282-A292 HydrophobicContact CD1-CB 3.84Å; L285-A292 HydrophobicContact CD1-CB 4.26Å; W288-A292 WeakPolarHBondContact O-CB 3.39Å; W288-A292 PolarHBondContact O-N 3.35Å; R289-A292 PolarHBondContact O-N 2.91Å; Q290-A292 VanDerWaalsContact C-N 3.3Å; Q290-A292 PolarHBondContact O-N 3.18Å; A292-L295 PolarHBondContact O-N 3.43Å; A292-L296 WeakPolarHBondContact O-CB 3.48Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 3.06Å
293A97.4Very high96.1Very high5 Ų571.4 Ų71.44%0.04138%0.383CS..Hα-helixtrans-63.3-43176.700000111.9W77 F80 L282 R289 Q290 L296 L297W77-A293 HydrophobicContact CH2-CB 4.22Å; W77-A293 HydrophobicContact CZ3-CB 3.65Å; F80-A293 HydrophobicContact CE1-CB 3.72Å; F80-A293 HydrophobicContact CZ-CB 3.83Å; F80-A293 WeakPolarHBondContact CZ-O 3.34Å; L282-A293 HydrophobicContact CD2-CB 4.32Å; R289-A293 WeakPolarHBondContact O-CB 3.44Å; R289-A293 PolarHBondContact O-N 3.32Å; Q290-A293 PolarHBondContact O-N 3.45Å; A293-L296 PolarHBondContact O-N 3.34Å; A293-L297 WeakPolarHBondContact O-CB 3.21Å; A293-L297 PolarHBondContact O-N 2.84Å
294A97.7Very high96.1Very high56 Ų5671.5 Ų71.546%0.46338%0.384SS..Hα-helixtrans-62-4517600000111.7Q290 P291 L296 L297 V298Q290-A294 WeakPolarHBondContact O-CB 3.46Å; Q290-A294 PolarHBondContact O-N 2.99Å; P291-A294 PolarHBondContact O-N 3.24Å; A294-L296 PolarHBondContact O-N 3.02Å; A294-L297 PolarHBondContact O-N 2.8Å; A294-V298 WeakPolarHBondContact O-CG2 3.42Å; A294-V298 PolarHBondContact O-N 2.62Å
295L97.1Very high96.1Very high122 Ų12270.5 Ų70.564%0.63938%0.382SS*.Hα-helixtrans-60.9-44.4175.7179.664.8000111.7P291 A292 S299P291-L295 WeakPolarHBondContact O-CB 3.31Å; P291-L295 PolarHBondContact O-N 3.06Å; A292-L295 PolarHBondContact O-N 3.43Å; L295-S299 VanDerWaalsContact O-CB 3.28Å; L295-S299 WeakPolarHBondContact O-CB 3.37Å; L295-S299 PolarHBondContact O-N 2.88Å; L295-S299 PolarHBondContact O-OG 3.44Å
296L97.7Very high96.3Very high4 Ų471.2 Ų71.22%0.02138%0.381CS..Hα-helixtrans-59.2-47.1175.5-77.8174.4000111.1C84 P226 F230 L282 A292 A293 A294 S299 N300C84-L296 VanDerWaalsContact SG-C 3.58Å; P226-L296 HydrophobicContact CB-CD2 3.95Å; P226-L296 WeakPolarHBondContact O-CD2 3.37Å; F230-L296 HydrophobicContact CD2-CD1 3.96Å; F230-L296 HydrophobicContact CD2-CD2 3.89Å; F230-L296 HydrophobicContact CD2-CG 4.26Å; F230-L296 HydrophobicContact CE1-CD1 4.38Å; F230-L296 HydrophobicContact CE2-CD1 3.78Å; F230-L296 HydrophobicContact CE2-CD2 3.64Å; F230-L296 HydrophobicContact CE2-CG 3.75Å; F230-L296 HydrophobicContact CG-CD1 4.35Å; F230-L296 HydrophobicContact CZ-CD1 4.01Å; F230-L296 HydrophobicContact CZ-CG 4.17Å; L282-L296 HydrophobicContact CD2-CD1 4.5Å; A292-L296 WeakPolarHBondContact O-CB 3.48Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 3.06Å; A293-L296 PolarHBondContact O-N 3.34Å; A294-L296 PolarHBondContact O-N 3.02Å; L296-S299 PolarHBondContact O-OG 2.99Å; L296-S299 VanDerWaalsContact O-OG 3.09Å; L296-N300 WeakPolarHBondContact O-CB 3.12Å; L296-N300 PolarHBondContact O-N 2.85Å; L296-N300 PolarHBondContact O-ND2 3.32Å
297L98.1Very high96.5Very high73 Ų7364.2 Ų64.238%0.38235%0.353SS..Hα-helixtrans-61.1-51.1-180-176.962.3000112.1F80 C84 W89 A293 A294 L301F80-L297 HydrophobicContact CZ-CB 4.29Å; C84-L297 WeakPolarHBondContact SG-CA 3.47Å; W89-L297 HydrophobicContact CH2-CD1 3.94Å; A293-L297 WeakPolarHBondContact O-CB 3.21Å; A293-L297 PolarHBondContact O-N 2.84Å; A294-L297 PolarHBondContact O-N 2.8Å; L297-L301 WeakPolarHBondContact O-CB 3.09Å; L297-L301 PolarHBondContact O-N 3.47Å
298V98.1Very high96.6Very high88 Ų8862 Ų6253%0.53334%0.339SS..Hα-helixtrans-64.1-47.1-177.8173.80000111A294 N300 L301 V302A294-V298 WeakPolarHBondContact O-CG2 3.42Å; A294-V298 PolarHBondContact O-N 2.62Å; V298-N300 PolarHBondContact O-N 2.91Å; V298-L301 PolarHBondContact O-N 2.78Å; V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 3.29Å
299S97.5Very high96.6Very high36 Ų3658.2 Ų58.225%0.25233%0.333SS..Hα-helixtrans-63.3-44-178.756.70000112.5P226 L295 L296 L303P226-S299 VanDerWaalsContact CB-OG 3.3Å; P226-S299 WeakPolarHBondContact CB-OG 3.43Å; P226-S299 WeakPolarHBondContact CG-OG 3.41Å; L295-S299 VanDerWaalsContact O-CB 3.28Å; L295-S299 WeakPolarHBondContact O-CB 3.37Å; L295-S299 PolarHBondContact O-N 2.88Å; L295-S299 PolarHBondContact O-OG 3.44Å; L296-S299 PolarHBondContact O-OG 2.99Å; L296-S299 VanDerWaalsContact O-OG 3.09Å; S299-L303 WeakPolarHBondContact O-CG 3.32Å; S299-L303 PolarHBondContact O-N 3.21Å
300N98Very high96.6Very high0 Ų059.1 Ų59.10%034%0.34CS..Hα-helixtrans-69.6-36176.9-76.2-89.7000112.1C84 W86 W89 H227 L296 V298 L303 A304C84-N300 WeakPolarHBondContact O-CB 3.2Å; C84-N300 PolarHBondContact O-OD1 3.05Å; W86-N300 HydrophobicContact CB-CB 3.88Å; W86-N300 VanDerWaalsContact CB-O 3.31Å; W86-N300 WeakPolarHBondContact CB-O 3.3Å; W86-N300 WeakPolarHBondContact CB-OD1 3.43Å; W86-N300 PolarHBondContact N-OD1 2.9Å; W89-N300 HydrophobicContact CZ3-CB 4.39Å; H227-N300 PolarHBondContact CE1-ND2 3.27Å; H227-N300 VanDerWaalsContact CE1-ND2 3.29Å; L296-N300 WeakPolarHBondContact O-CB 3.12Å; L296-N300 PolarHBondContact O-N 2.85Å; L296-N300 PolarHBondContact O-ND2 3.32Å; V298-N300 PolarHBondContact O-N 2.91Å; N300-L303 PolarHBondContact O-N 3.41Å; N300-A304 VanDerWaalsContact O-CB 3.31Å; N300-A304 WeakPolarHBondContact O-CB 2.93Å; N300-A304 PolarHBondContact O-N 3.42Å
301L97.3Very high96.7Very high74 Ų7455.5 Ų55.539%0.38732%0.323SS..Hα-helixtrans-64.1-45.7178.6-177.964.9000111.9W89 L297 V298 L303 A304 L305W89-L301 HydrophobicContact CH2-CB 4.5Å; W89-L301 HydrophobicContact CH2-CD1 4.25Å; W89-L301 HydrophobicContact CZ3-CB 4.03Å; W89-L301 HydrophobicContact CZ3-CD1 3.97Å; L297-L301 WeakPolarHBondContact O-CB 3.09Å; L297-L301 PolarHBondContact O-N 3.47Å; V298-L301 PolarHBondContact O-N 2.78Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.04Å; L301-A304 PolarHBondContact O-N 2.68Å; L301-L305 HydrophobicContact CD1-CD1 3.86Å; L301-L305 HydrophobicContact CD1-CD2 4.45Å; L301-L305 HydrophobicContact CD1-CG 3.93Å; L301-L305 HydrophobicContact CG-CD1 3.83Å; L301-L305 HydrophobicContact CG-CG 4.28Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.46Å; L301-L305 PolarHBondContact O-N 3.25Å
302V97.2Very high96.6Very high91 Ų9157 Ų5755%0.55232%0.324SS*.Hα-helixtrans-59.1-47.2176.5171.70000110.7V298 Y306V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 3.29Å; V302-Y306 WeakPolarHBondContact O-CB 3.43Å; V302-Y306 PolarHBondContact O-N 2.88Å
303L96.1Very high96.5Very high72 Ų7261.3 Ų61.338%0.37734%0.337SS..Hα-helixtrans-62.7-45.1179.1-70.7173.9000112.3W86 P226 S299 N300 L301 T307W86-L303 HydrophobicContact CB-CB 4.03Å; W86-L303 HydrophobicContact CD2-CB 4.18Å; W86-L303 HydrophobicContact CE3-CB 4.29Å; W86-L303 HydrophobicContact CG-CB 4.08Å; W86-L303 HydrophobicContact CG-CD1 4.27Å; P226-L303 HydrophobicContact CG-CD1 4.13Å; S299-L303 WeakPolarHBondContact O-CG 3.32Å; S299-L303 PolarHBondContact O-N 3.21Å; N300-L303 PolarHBondContact O-N 3.41Å; L301-L303 VanDerWaalsContact C-N 3.34Å; L301-L303 PolarHBondContact O-N 2.04Å; L303-T307 WeakPolarHBondContact O-CB 3.2Å; L303-T307 WeakPolarHBondContact O-CG2 3.47Å; L303-T307 PolarHBondContact O-N 3.43Å; L303-T307 PolarHBondContact O-OG1 3.31Å
304A96.2Very high96.4Very high13 Ų1361 Ų6111%0.10734%0.335CS..Hα-helixtrans-68.4-41.9-179.300000112.8W86 W89 N300 L301 G308W86-A304 HydrophobicContact CB-CB 4.14Å; W89-A304 HydrophobicContact CB-CB 4.06Å; W89-A304 HydrophobicContact CD2-CB 4.35Å; W89-A304 HydrophobicContact CE3-CB 3.51Å; W89-A304 HydrophobicContact CZ3-CB 4.36Å; N300-A304 VanDerWaalsContact O-CB 3.31Å; N300-A304 WeakPolarHBondContact O-CB 2.93Å; N300-A304 PolarHBondContact O-N 3.42Å; L301-A304 PolarHBondContact O-N 2.68Å; A304-G308 WeakPolarHBondContact O-CA 3.41Å; A304-G308 PolarHBondContact O-N 2.94Å
305L96.2Very high96.3Very high85 Ų8559.3 Ų59.345%0.44532%0.319SS..Hα-helixtrans-64.9-43.7177-69.7175.8000110.9L301 L309L301-L305 HydrophobicContact CD1-CD1 3.86Å; L301-L305 HydrophobicContact CD1-CD2 4.45Å; L301-L305 HydrophobicContact CD1-CG 3.93Å; L301-L305 HydrophobicContact CG-CD1 3.83Å; L301-L305 HydrophobicContact CG-CG 4.28Å; L301-L305 WeakPolarHBondContact O-CB 3.48Å; L301-L305 VanDerWaalsContact O-CG 3.26Å; L301-L305 WeakPolarHBondContact O-CG 3.46Å; L301-L305 PolarHBondContact O-N 3.25Å; L305-L309 HydrophobicContact CB-CD1 4.5Å; L305-L309 HydrophobicContact CD2-CD1 3.75Å; L305-L309 VanDerWaalsContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CB 3.15Å; L305-L309 WeakPolarHBondContact O-CG 3.39Å; L305-L309 PolarHBondContact O-N 3.3Å
306Y96.7Very high96.3Very high67 Ų6756.8 Ų56.826%0.26331%0.306SS..Hα-helixtrans-63.7-51.3178.5-180-101000112V302 G308 I310 H311 H432V302-Y306 WeakPolarHBondContact O-CB 3.43Å; V302-Y306 PolarHBondContact O-N 2.88Å; Y306-G308 VanDerWaalsContact C-N 3.33Å; Y306-G308 PolarHBondContact O-N 2.9Å; Y306-I310 HydrophobicContact CD2-CB 4.02Å; Y306-I310 HydrophobicContact CD2-CD1 4.09Å; Y306-I310 HydrophobicContact CD2-CG2 4.15Å; Y306-I310 HydrophobicContact CE2-CB 4.2Å; Y306-I310 HydrophobicContact CE2-CG2 3.87Å; Y306-I310 WeakPolarHBondContact O-CA 3.36Å; Y306-I310 WeakPolarHBondContact O-CB 3.14Å; Y306-I310 PolarHBondContact O-N 3.42Å; Y306-H311 HydrophobicContact CD1-CB 4.19Å; Y306-H311 HydrophobicContact CE1-CB 3.76Å; Y306-H311 PolarHBondContact O-N 3.37Å; Y306-H432 AromaticContact CE2-ND1 3.58Å; Y306-H432 AromaticContact CZ-ND1 3.76Å; Y306-H432 PolarHBondContact OH-ND1 3.18Å
307T94.6Very high96.2Very high26 Ų2659.3 Ų59.316%0.1632%0.319CS..Hα-helixtrans-73.2-24.6-177.956.90000113.4W86 F90 L303W86-T307 HydrophobicContact CZ3-CG2 4.04Å; F90-T307 WeakPolarHBondContact CE2-O 3.49Å; L303-T307 WeakPolarHBondContact O-CB 3.2Å; L303-T307 WeakPolarHBondContact O-CG2 3.47Å; L303-T307 PolarHBondContact O-N 3.43Å; L303-T307 PolarHBondContact O-OG1 3.31Å
308G93.1Very high96.1Very high44 Ų4455.8 Ų55.845%0.45430%0.301SS..Hα-helixtrans-87.8-30.9179.500000114.7A304 Y306A304-G308 WeakPolarHBondContact O-CA 3.41Å; A304-G308 PolarHBondContact O-N 2.94Å; Y306-G308 VanDerWaalsContact C-N 3.33Å; Y306-G308 PolarHBondContact O-N 2.9Å
309L94.3Very high96Very high114 Ų11451.6 Ų51.660%0.59728%0.276SS*.Hα-helixtrans-118.4-22.5-170.4-54.9177.6000114.6L305L305-L309 HydrophobicContact CB-CD1 4.5Å; L305-L309 HydrophobicContact CD2-CD1 3.75Å; L305-L309 VanDerWaalsContact O-CB 3.23Å; L305-L309 WeakPolarHBondContact O-CB 3.15Å; L305-L309 WeakPolarHBondContact O-CG 3.39Å; L305-L309 PolarHBondContact O-N 3.3Å
310I96Very high95.7Very high62 Ų6253.2 Ų53.232%0.31829%0.287SS..THydrogen-bonded Turntrans-118.3-57.3-169.7-57.5177.5000111.1Y306 Q312 R313 F429Y306-I310 HydrophobicContact CD2-CB 4.02Å; Y306-I310 HydrophobicContact CD2-CD1 4.09Å; Y306-I310 HydrophobicContact CD2-CG2 4.15Å; Y306-I310 HydrophobicContact CE2-CB 4.2Å; Y306-I310 HydrophobicContact CE2-CG2 3.87Å; Y306-I310 WeakPolarHBondContact O-CA 3.36Å; Y306-I310 WeakPolarHBondContact O-CB 3.14Å; Y306-I310 PolarHBondContact O-N 3.42Å; I310-Q312 PolarHBondContact O-N 3.47Å; I310-R313 WeakPolarHBondContact O-CG 3.46Å; I310-R313 PolarHBondContact O-N 3.34Å; I310-F429 HydrophobicContact CG2-CE1 4.02Å; I310-F429 HydrophobicContact CG2-CZ 4.48Å
311H96.1Very high95.4Very high52 Ų5257.4 Ų57.424%0.24131%0.306CS..THydrogen-bonded Turntrans-66.4129.8-174.7-175.662.1000111.5Y306 R313 T431Y306-H311 HydrophobicContact CD1-CB 4.19Å; Y306-H311 HydrophobicContact CE1-CB 3.76Å; Y306-H311 PolarHBondContact O-N 3.37Å; H311-R313 PolarHBondContact O-N 2.92Å; H311-T431 PolarHBondContact CE1-OG1 3.12Å; H311-T431 PolarHBondContact ND1-OG1 3.37Å
312Q95.1Very high95.2Very high99 Ų9953.9 Ų53.946%0.46329%0.288SS..THydrogen-bonded Turntrans58.420-179.6-62.7-175-7.300115.2I310 G314 T315 H430I310-Q312 PolarHBondContact O-N 3.47Å; Q312-G314 PolarHBondContact O-N 2.65Å; Q312-T315 PolarHBondContact O-OG1 3.11Å; Q312-H430 CarbonylContact C-O 3.56Å; Q312-H430 WeakPolarHBondContact CA-CE1 3.4Å; Q312-H430 WeakPolarHBondContact CA-O 3.29Å; Q312-H430 VanDerWaalsContact CB-CE1 3.47Å; Q312-H430 WeakPolarHBondContact CB-CE1 3.39Å; Q312-H430 PolarHBondContact N-O 2.9Å; Q312-H430 PolarHBondContact O-CE1 3.48Å; Q312-H430 PolarHBondContact O-ND1 3.41Å
313R95.5Very high94.9Very high104 Ų10451.7 Ų51.739%0.39227%0.272SS..THydrogen-bonded Turntrans-64.5-27.8-177.673.9174.2-168.1-163.8-3.6113.8I310 H311 T315 L316 D317 F429 H430I310-R313 WeakPolarHBondContact O-CG 3.46Å; I310-R313 PolarHBondContact O-N 3.34Å; H311-R313 PolarHBondContact O-N 2.92Å; R313-T315 PolarHBondContact O-N 3.34Å; R313-L316 WeakPolarHBondContact O-CB 3.33Å; R313-L316 PolarHBondContact O-N 2.89Å; R313-D317 WeakPolarHBondContact CG-OD2 3.49Å; R313-D317 IonicContact NE-OD2 3.33Å; R313-D317 PolarHBondContact NE-OD2 2.66Å; R313-D317 PolarHBondContact O-N 3.45Å; R313-F429 HydrophobicContact CG-CD1 4.31Å; R313-H430 PolarHBondContact N-O 3.05Å
314G96.5Very high94.5Very high0 Ų050 Ų500%027%0.271CS..Hα-helixtrans-57.3-28.8-17200000114Q312 L316 D317 V318 F429 I442Q312-G314 PolarHBondContact O-N 2.65Å; G314-L316 PolarHBondContact O-N 3.09Å; G314-D317 PolarHBondContact O-N 2.97Å; G314-V318 WeakPolarHBondContact O-CB 3.04Å; G314-V318 WeakPolarHBondContact O-CG2 3.21Å; G314-V318 PolarHBondContact O-N 3.39Å; G314-F429 VanDerWaalsContact CA-O 3.24Å; G314-F429 WeakPolarHBondContact CA-O 3.38Å; G314-F429 PolarHBondContact N-O 3.12Å; G314-I442 VanDerWaalsContact C-CD1 3.46Å
315T95.9Very high94Very high20 Ų2050.6 Ų50.612%0.12327%0.273CS..Hα-helixtrans-68.9-22.5178.252.80000112.9Q312 R313 M319 M343 S347 T348 P349 F406 H430 I442Q312-T315 PolarHBondContact O-OG1 3.11Å; R313-T315 PolarHBondContact O-N 3.34Å; T315-M319 WeakPolarHBondContact O-CG 3.47Å; T315-M343 HydrophobicContact CG2-CE 4.38Å; T315-S347 WeakPolarHBondContact CB-O 3.38Å; T315-S347 WeakPolarHBondContact CG2-O 3.49Å; T315-T348 HydrophobicContact CG2-CG2 4.35Å; T315-P349 WeakPolarHBondContact O-CD 3.35Å; T315-F406 HydrophobicContact CG2-CZ 4.41Å; T315-H430 VanDerWaalsContact CG2-CE1 3.45Å; T315-H430 WeakPolarHBondContact CG2-CE1 3.34Å; T315-I442 HydrophobicContact CG2-CD1 3.97Å
316L95.1Very high93.4Very high68 Ų6847.8 Ų47.836%0.35626%0.26SS..Hα-helixtrans-85.4-46170.6-57.7-177.1000110.9R313 G314 V318 M319 S320 P349R313-L316 WeakPolarHBondContact O-CB 3.33Å; R313-L316 PolarHBondContact O-N 2.89Å; G314-L316 PolarHBondContact O-N 3.09Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.44Å; L316-M319 WeakPolarHBondContact O-CB 3.45Å; L316-M319 PolarHBondContact O-N 3.49Å; L316-S320 PolarHBondContact O-N 2.61Å; L316-P349 HydrophobicContact CD2-CG 3.76Å
317D96.1Very high92.2Very high57 Ų5751.9 Ų51.931%0.30528%0.281SS..Hα-helixtrans-60.4-39.5-177-65.5-11.5000111.4R313 G314 M319 S320 H321 I428R313-D317 WeakPolarHBondContact CG-OD2 3.49Å; R313-D317 IonicContact NE-OD2 3.33Å; R313-D317 PolarHBondContact NE-OD2 2.66Å; R313-D317 PolarHBondContact O-N 3.45Å; G314-D317 PolarHBondContact O-N 2.97Å; D317-M319 VanDerWaalsContact C-N 3.28Å; D317-M319 PolarHBondContact O-N 3.43Å; D317-S320 WeakPolarHBondContact O-CB 3.38Å; D317-S320 PolarHBondContact O-N 3.24Å; D317-S320 VanDerWaalsContact O-N 3.12Å; D317-S320 PolarHBondContact O-OG 2.97Å; D317-H321 PolarHBondContact O-N 2.9Å; D317-I428 HydrophobicContact CB-CG2 3.64Å
318V96.6Very high90.6Very high0 Ų053.4 Ų53.40%029%0.29CS..Hα-helixtrans-58.3-39.6174.5171.20000111.8G314 L316 S320 H321 L322 F341 V404 I428 I442 I444G314-V318 WeakPolarHBondContact O-CB 3.04Å; G314-V318 WeakPolarHBondContact O-CG2 3.21Å; G314-V318 PolarHBondContact O-N 3.39Å; L316-V318 VanDerWaalsContact C-N 3.29Å; L316-V318 PolarHBondContact O-N 3.44Å; V318-S320 VanDerWaalsContact C-N 3.29Å; V318-S320 PolarHBondContact O-N 2.73Å; V318-H321 WeakPolarHBondContact O-CB 3.4Å; V318-H321 PolarHBondContact O-N 2.96Å; V318-L322 HydrophobicContact CG1-CD1 4.13Å; V318-L322 HydrophobicContact CG1-CG 4.39Å; V318-L322 WeakPolarHBondContact O-CG 3.36Å; V318-L322 PolarHBondContact O-N 3.44Å; V318-F341 HydrophobicContact CG1-CE1 4.43Å; V318-V404 HydrophobicContact CG1-CG1 3.77Å; V318-V404 HydrophobicContact CG1-CG2 4.45Å; V318-I428 HydrophobicContact CB-CD1 4.24Å; V318-I428 HydrophobicContact CG2-CB 4.26Å; V318-I428 HydrophobicContact CG2-CD1 3.6Å; V318-I428 HydrophobicContact CG2-CG1 4.48Å; V318-I428 HydrophobicContact CG2-CG2 4.3Å; V318-I442 HydrophobicContact CG2-CB 3.81Å; V318-I442 HydrophobicContact CG2-CD1 3.87Å; V318-I442 HydrophobicContact CG2-CG1 4.46Å; V318-I442 HydrophobicContact CG2-CG2 3.5Å; V318-I442 VanDerWaalsContact CG2-CG2 3.5Å; V318-I444 HydrophobicContact CG1-CD1 4.16Å
319M95.4Very high88.9Confident0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-64.7-37.6178.9-57.4-68.4105.800111.3T315 L316 D317 H321 L322 Q323 F341 T348 P349 H353 V354T315-M319 WeakPolarHBondContact O-CG 3.47Å; L316-M319 WeakPolarHBondContact O-CB 3.45Å; L316-M319 PolarHBondContact O-N 3.49Å; D317-M319 VanDerWaalsContact C-N 3.28Å; D317-M319 PolarHBondContact O-N 3.43Å; M319-H321 VanDerWaalsContact C-N 3.29Å; M319-H321 PolarHBondContact O-N 3.16Å; M319-L322 HydrophobicContact CE-CD1 4.02Å; M319-L322 PolarHBondContact O-N 3.44Å; M319-Q323 WeakPolarHBondContact O-CG 3.38Å; M319-Q323 PolarHBondContact O-N 3.33Å; M319-F341 HydrophobicContact CE-CE1 3.36Å; M319-F341 HydrophobicContact CE-CZ 3.52Å; M319-F341 HydrophobicContact SD-CZ 4.47Å; M319-T348 HydrophobicContact CE-CG2 3.57Å; M319-P349 HydrophobicContact CG-CG 3.77Å; M319-P349 HydrophobicContact SD-CG 4.46Å; M319-H353 HydrophobicContact CB-CB 3.71Å; M319-H353 HydrophobicContact CG-CB 3.95Å; M319-V354 HydrophobicContact CB-CG2 4.4Å; M319-V354 HydrophobicContact SD-CG2 4.14Å
320S92.6Very high87.1Confident70 Ų7052.3 Ų52.349%0.4929%0.286SS..Hα-helixtrans-64.1-35.5176.1750000112.3L316 D317 V318 Q323L316-S320 PolarHBondContact O-N 2.61Å; D317-S320 WeakPolarHBondContact O-CB 3.38Å; D317-S320 PolarHBondContact O-N 3.24Å; D317-S320 VanDerWaalsContact O-N 3.12Å; D317-S320 PolarHBondContact O-OG 2.97Å; V318-S320 VanDerWaalsContact C-N 3.29Å; V318-S320 PolarHBondContact O-N 2.73Å; S320-Q323 WeakPolarHBondContact O-CB 3.44Å; S320-Q323 PolarHBondContact O-N 2.9Å
321H91.8Very high85.3Confident87 Ų8754.9 Ų54.940%0.40330%0.3SS..Hα-helixtrans-65.8-44.1173-171.886000111.5D317 V318 M319 Q323 G324 I428 I444D317-H321 PolarHBondContact O-N 2.9Å; V318-H321 WeakPolarHBondContact O-CB 3.4Å; V318-H321 PolarHBondContact O-N 2.96Å; M319-H321 VanDerWaalsContact C-N 3.29Å; M319-H321 PolarHBondContact O-N 3.16Å; H321-Q323 VanDerWaalsContact C-N 3.29Å; H321-Q323 PolarHBondContact O-N 3.16Å; H321-G324 PolarHBondContact O-N 2.96Å; H321-I428 HydrophobicContact CB-CD1 4.4Å; H321-I444 HydrophobicContact CB-CD1 4.13Å; H321-I444 WeakPolarHBondContact CD2-CD1 3.32Å
322L93Very high83.4Confident0 Ų058.7 Ų58.70%033%0.333CS..Hα-helixtrans-68.4-24.6179.6-63176.6000113.5V318 M319 G324 L325 I339 F341 V404V318-L322 HydrophobicContact CG1-CD1 4.13Å; V318-L322 HydrophobicContact CG1-CG 4.39Å; V318-L322 WeakPolarHBondContact O-CG 3.36Å; V318-L322 PolarHBondContact O-N 3.44Å; M319-L322 HydrophobicContact CE-CD1 4.02Å; M319-L322 PolarHBondContact O-N 3.44Å; L322-G324 PolarHBondContact O-N 2.95Å; L322-L325 HydrophobicContact CD2-CD1 3.78Å; L322-L325 WeakPolarHBondContact O-CB 3.41Å; L322-L325 PolarHBondContact O-N 3.25Å; L322-I339 HydrophobicContact CD1-CD1 4.34Å; L322-I339 HydrophobicContact CD1-CG2 4.21Å; L322-I339 HydrophobicContact CD2-CD1 4.01Å; L322-I339 HydrophobicContact CD2-CG1 4.44Å; L322-I339 HydrophobicContact CD2-CG2 4.41Å; L322-F341 HydrophobicContact CD1-CE1 3.91Å; L322-F341 HydrophobicContact CD1-CE2 4.44Å; L322-F341 HydrophobicContact CD1-CZ 3.42Å; L322-F341 VanDerWaalsContact CD1-CZ 3.42Å; L322-V404 HydrophobicContact CD1-CG2 4.46Å
323Q90.7Very high81.6Confident46 Ų4658.6 Ų58.622%0.21535%0.348CS..Hα-helixtrans-57.5-33.9172.2-74.116840.100112.1M319 S320 H321 L325 C326 H353M319-Q323 WeakPolarHBondContact O-CG 3.38Å; M319-Q323 PolarHBondContact O-N 3.33Å; S320-Q323 WeakPolarHBondContact O-CB 3.44Å; S320-Q323 PolarHBondContact O-N 2.9Å; H321-Q323 VanDerWaalsContact C-N 3.29Å; H321-Q323 PolarHBondContact O-N 3.16Å; Q323-L325 PolarHBondContact O-N 3.46Å; Q323-C326 WeakPolarHBondContact O-CB 3.38Å; Q323-C326 PolarHBondContact O-N 2.71Å; Q323-C326 PolarHBondContact O-SG 3.45Å; Q323-H353 WeakPolarHBondContact CG-O 3.31Å; Q323-H353 PolarHBondContact NE2-O 3.01Å
324G86.4Confident80Confident36 Ų3662 Ų6237%0.37136%0.361SS..Hα-helixtrans-61.2-25176.500000113.5H321 L322 C326 E327H321-G324 PolarHBondContact O-N 2.96Å; L322-G324 PolarHBondContact O-N 2.95Å; G324-C326 VanDerWaalsContact C-N 3.26Å; G324-C326 PolarHBondContact O-N 2.98Å; G324-E327 PolarHBondContact O-N 3.4Å
325L87.3Confident78.6Confident26 Ų2667.4 Ų67.414%0.13640%0.396CS..Hα-helixtrans-73.8-18.5176-56.8176.3000112.6L322 Q323 S329 I339 L358L322-L325 HydrophobicContact CD2-CD1 3.78Å; L322-L325 WeakPolarHBondContact O-CB 3.41Å; L322-L325 PolarHBondContact O-N 3.25Å; Q323-L325 PolarHBondContact O-N 3.46Å; L325-S329 PolarHBondContact O-N 2.81Å; L325-S329 PolarHBondContact O-OG 3.09Å; L325-I339 HydrophobicContact CD1-CD1 4.04Å; L325-I339 HydrophobicContact CD1-CG1 4.4Å; L325-L358 HydrophobicContact CB-CD1 4.17Å
326C82.7Confident77.7Confident25 Ų2571.5 Ų71.517%0.16941%0.414CS..Hα-helixtrans-67.4-37.1175-56.80000111.4Q323 G324 S329 S330 C356Q323-C326 WeakPolarHBondContact O-CB 3.38Å; Q323-C326 PolarHBondContact O-N 2.71Å; Q323-C326 PolarHBondContact O-SG 3.45Å; G324-C326 VanDerWaalsContact C-N 3.26Å; G324-C326 PolarHBondContact O-N 2.98Å; C326-S329 WeakPolarHBondContact CA-OG 3.35Å; C326-S329 PolarHBondContact O-OG 2.7Å; C326-S330 PolarHBondContact O-OG 3.03Å; C326-C356 HydrophobicContact CB-CB 3.7Å; C326-C356 WeakPolarHBondContact CB-SG 3.4Å; C326-C356 WeakPolarHBondContact SG-CB 3.41Å; C326-C356 CovalentContact SG-SG 2.04Å; C326-C356 PolarHBondContact SG-SG 3.34Å
327E70.4Confident77.4Confident154 Ų15469.1 Ų69.172%0.7240%0.403SS*.Hα-helixtrans-71.8-37.9-178.9-63.9-176.6172.200111.8G324 S329 S330G324-E327 PolarHBondContact O-N 3.4Å; E327-S329 VanDerWaalsContact C-N 3.29Å; E327-S329 PolarHBondContact O-N 3.3Å; E327-S330 PolarHBondContact O-N 3.22Å; E327-S330 PolarHBondContact O-OG 3.43Å
328V62.4Low77.3Confident57 Ų5767.9 Ų67.935%0.34540%0.396SS..Hα-helixtrans-69.8-27.3179.1-178.90000112.1S330 D331V328-S330 VanDerWaalsContact C-N 3.34Å; V328-D331 PolarHBondContact O-N 2.97Å
329S56.6Low77.2Confident43 Ų4367.9 Ų67.930%0.30140%0.396SS..THydrogen-bonded Turntrans-81.8-9.5179.941.40000114L325 C326 E327 D331L325-S329 PolarHBondContact O-N 2.81Å; L325-S329 PolarHBondContact O-OG 3.09Å; C326-S329 WeakPolarHBondContact CA-OG 3.35Å; C326-S329 PolarHBondContact O-OG 2.7Å; E327-S329 VanDerWaalsContact C-N 3.29Å; E327-S329 PolarHBondContact O-N 3.3Å; S329-D331 VanDerWaalsContact C-N 3.3Å
330S55.9Low77.3Confident93 Ų9368 Ų6865%0.6540%0.397SS*.THydrogen-bonded Turntrans-72.4-22.6167.9-0.20000113.2C326 E327 V328 S332C326-S330 PolarHBondContact O-OG 3.03Å; E327-S330 PolarHBondContact O-N 3.22Å; E327-S330 PolarHBondContact O-OG 3.43Å; V328-S330 VanDerWaalsContact C-N 3.34Å; S330-S332 PolarHBondContact O-N 2.79Å
331D59.8Low77.5Confident115 Ų11564.8 Ų64.862%0.61537%0.374SS*.SBendtrans-80.1105.6174.2-83.8-21.4000109.5V328 S329 A333 R334V328-D331 PolarHBondContact O-N 2.97Å; S329-D331 VanDerWaalsContact C-N 3.3Å; D331-A333 PolarHBondContact O-N 3.32Å; D331-R334 PolarHBondContact O-N 3.05Å
332S55.5Low77.8Confident133 Ų13360.7 Ų60.793%0.9336%0.355SS*.THydrogen-bonded Turntrans-58.72.5-175.343.20000116.4S330S330-S332 PolarHBondContact O-N 2.79Å
333A58.1Low78Confident96 Ų9660.9 Ų60.979%0.79336%0.356SS*.THydrogen-bonded Turntrans-92.2-17.1178.600000113.9D331D331-A333 PolarHBondContact O-N 3.32Å
334R61.8Low78.2Confident176 Ų17660 Ų6066%0.66436%0.355SS*.SBendtrans-108.8140.1-178.8-70.9-175.7179.9-176.61.5112D331D331-R334 PolarHBondContact O-N 3.05Å
335P67Low78.4Confident114 Ų11460 Ų6074%0.7435%0.349SS*.PPolyproline II helixtrans-61.2141.5172.324.9-31000110.1S337P335-S337 PolarHBondContact O-N 3.47Å
336Q77.6Confident78.6Confident106 Ų10662.9 Ų62.950%0.49536%0.361SS..PPolyproline II helixtrans-60.2133.6-178.6-169.5179.514.200110.9D338 P357Q336-D338 PolarHBondContact O-N 3.18Å; Q336-P357 PolarHBondContact NE2-O 3.37Å
337S88.5Confident79.1Confident17 Ų1763.1 Ų63.112%0.11936%0.363CS..PPolyproline II helixtrans-62132.9176.7-61.70000111.5P335 T401P335-S337 PolarHBondContact O-N 3.47Å; S337-T401 WeakPolarHBondContact CA-OG1 3.3Å
338D92.4Very high80.3Confident31 Ų3156.6 Ų56.617%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-115.2110.5175.6-169.3-3.6000108.2Q336 K359 P400 T401 H402Q336-D338 PolarHBondContact O-N 3.18Å; D338-K359 HydrophobicContact CB-CD 4.37Å; D338-K359 IonicContact OD1-NZ 2.82Å; D338-K359 WeakPolarHBondContact OD2-CE 3.39Å; D338-K359 IonicContact OD2-NZ 3.53Å; D338-K359 PolarHBondContact OD2-NZ 3.4Å; D338-P400 VanDerWaalsContact O-CB 3.31Å; D338-P400 WeakPolarHBondContact O-CB 3.43Å; D338-T401 PolarHBondContact N-OG1 2.99Å; D338-T401 PolarHBondContact O-N 3.38Å; D338-T401 PolarHBondContact O-OG1 3.29Å; D338-H402 PolarHBondContact O-N 2.91Å
339I95.8Very high81.8Confident0 Ų055.6 Ų55.60%033%0.329CS..EExtended strand (participates in β ladder)trans-107.2125.5-171.7-57.5155000109.2L322 L325 F341 L358 K359 M360 R361 H402 V404L322-I339 HydrophobicContact CD1-CD1 4.34Å; L322-I339 HydrophobicContact CD1-CG2 4.21Å; L322-I339 HydrophobicContact CD2-CD1 4.01Å; L322-I339 HydrophobicContact CD2-CG1 4.44Å; L322-I339 HydrophobicContact CD2-CG2 4.41Å; L325-I339 HydrophobicContact CD1-CD1 4.04Å; L325-I339 HydrophobicContact CD1-CG1 4.4Å; I339-F341 HydrophobicContact CG2-CD2 4.23Å; I339-F341 HydrophobicContact CG2-CE2 3.73Å; I339-F341 HydrophobicContact CG2-CZ 3.99Å; I339-L358 HydrophobicContact CD1-CD1 4.13Å; I339-K359 PolarHBondContact N-O 2.93Å; I339-M360 HydrophobicContact CB-CG 4.2Å; I339-M360 HydrophobicContact CD1-CG 4.01Å; I339-M360 HydrophobicContact CD1-SD 4.27Å; I339-M360 CarbonylContact O-C 3.56Å; I339-M360 WeakPolarHBondContact O-CA 3.48Å; I339-R361 PolarHBondContact O-N 3.42Å; I339-H402 HydrophobicContact CB-CB 4.48Å; I339-H402 HydrophobicContact CG1-CB 4.07Å; I339-H402 HydrophobicContact CG2-CB 4.41Å; I339-V404 HydrophobicContact CG2-CG2 4.02Å
340F97.1Very high83.6Confident3 Ų354.3 Ų54.31%0.01332%0.318CS..EExtended strand (participates in β ladder)trans-117.2121175-171.4-151.5000111.8L342 R361 L363 W388 F393 P400 H402 L403 V404F340-L342 HydrophobicContact CD1-CD2 3.67Å; F340-L342 HydrophobicContact CD1-CG 4.23Å; F340-L342 HydrophobicContact CE1-CD2 3.31Å; F340-L342 HydrophobicContact CE1-CG 4.33Å; F340-L342 HydrophobicContact CE2-CD2 4.44Å; F340-L342 HydrophobicContact CG-CD2 4.39Å; F340-L342 HydrophobicContact CZ-CD2 3.74Å; F340-L342 PolarHBondContact O-N 3.41Å; F340-R361 HydrophobicContact CD2-CB 3.82Å; F340-R361 HydrophobicContact CD2-CG 3.81Å; F340-R361 WeakPolarHBondContact CD2-O 3.28Å; F340-R361 HydrophobicContact CE2-CB 4.31Å; F340-R361 HydrophobicContact CE2-CG 3.77Å; F340-L363 HydrophobicContact CE2-CD2 4.34Å; F340-L363 HydrophobicContact CE2-CG 4.44Å; F340-L363 HydrophobicContact CZ-CD2 3.85Å; F340-L363 HydrophobicContact CZ-CG 4.35Å; F340-W388 HydrophobicContact CE1-CH2 4.2Å; F340-W388 AromaticContact CE1-CZ3 3.96Å; F340-W388 HydrophobicContact CE1-CZ3 3.96Å; F340-W388 AromaticContact CZ-CH2 3.92Å; F340-W388 HydrophobicContact CZ-CH2 3.92Å; F340-W388 HydrophobicContact CZ-CZ3 4.1Å; F340-F393 AromaticContact CD1-CE2 3.98Å; F340-F393 HydrophobicContact CD1-CE2 3.98Å; F340-F393 AromaticContact CD1-CZ 3.71Å; F340-F393 HydrophobicContact CD1-CZ 3.71Å; F340-F393 AromaticContact CE1-CE2 3.8Å; F340-F393 HydrophobicContact CE1-CE2 3.8Å; F340-F393 AromaticContact CE1-CZ 3.74Å; F340-F393 HydrophobicContact CE1-CZ 3.74Å; F340-P400 HydrophobicContact CB-CB 3.96Å; F340-P400 HydrophobicContact CB-CG 3.91Å; F340-H402 PolarHBondContact N-O 3.23Å; F340-L403 HydrophobicContact CB-CD2 3.99Å; F340-L403 HydrophobicContact CD1-CD2 4.21Å; F340-L403 WeakPolarHBondContact O-CA 3.37Å; F340-V404 PolarHBondContact O-N 3.2Å
341F97.7Very high85.3Confident3 Ų351.9 Ų51.91%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-88.4104176.9-64.6-92.3000110.2V318 M319 L322 I339 M343 T348 F350 M360 R361 I362 L363 V404V318-F341 HydrophobicContact CG1-CE1 4.43Å; M319-F341 HydrophobicContact CE-CE1 3.36Å; M319-F341 HydrophobicContact CE-CZ 3.52Å; M319-F341 HydrophobicContact SD-CZ 4.47Å; L322-F341 HydrophobicContact CD1-CE1 3.91Å; L322-F341 HydrophobicContact CD1-CE2 4.44Å; L322-F341 HydrophobicContact CD1-CZ 3.42Å; L322-F341 VanDerWaalsContact CD1-CZ 3.42Å; I339-F341 HydrophobicContact CG2-CD2 4.23Å; I339-F341 HydrophobicContact CG2-CE2 3.73Å; I339-F341 HydrophobicContact CG2-CZ 3.99Å; F341-M343 HydrophobicContact CD1-SD 4.02Å; F341-M343 PolarHBondContact O-N 3.03Å; F341-M343 VanDerWaalsContact O-N 3.16Å; F341-T348 HydrophobicContact CD1-CG2 4.14Å; F341-T348 HydrophobicContact CE1-CG2 4.1Å; F341-F350 HydrophobicContact CD2-CD2 4.32Å; F341-F350 AromaticContact CD2-CE2 3.82Å; F341-F350 HydrophobicContact CD2-CE2 3.82Å; F341-F350 AromaticContact CE2-CD2 3.92Å; F341-F350 HydrophobicContact CE2-CD2 3.92Å; F341-F350 AromaticContact CE2-CE2 3.61Å; F341-F350 HydrophobicContact CE2-CE2 3.61Å; F341-M360 HydrophobicContact CE2-CB 4.3Å; F341-M360 HydrophobicContact CE2-SD 4.1Å; F341-M360 HydrophobicContact CZ-SD 4.44Å; F341-R361 WeakPolarHBondContact CD2-O 3.44Å; F341-R361 PolarHBondContact N-O 3.44Å; F341-I362 HydrophobicContact CB-CG2 4.04Å; F341-I362 HydrophobicContact CD2-CG2 3.97Å; F341-I362 HydrophobicContact CG-CG2 4.22Å; F341-L363 PolarHBondContact O-N 3.45Å; F341-V404 CarbonylContact C-O 3.5Å; F341-V404 WeakPolarHBondContact CA-O 3.46Å; F341-V404 HydrophobicContact CD1-CB 3.61Å; F341-V404 HydrophobicContact CD1-CG1 3.73Å; F341-V404 HydrophobicContact CD1-CG2 4.07Å; F341-V404 HydrophobicContact CE1-CB 3.91Å; F341-V404 HydrophobicContact CE1-CG1 3.9Å; F341-V404 HydrophobicContact CE1-CG2 3.89Å; F341-V404 HydrophobicContact CG-CB 4.34Å; F341-V404 HydrophobicContact CZ-CG2 4.49Å
342L97.4Very high86.8Confident1 Ų149.2 Ų49.21%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-87.658.6171.7-62.5178.1000109.8F340 F381 L389 L403 V404 L405 L409 I413F340-L342 HydrophobicContact CD1-CD2 3.67Å; F340-L342 HydrophobicContact CD1-CG 4.23Å; F340-L342 HydrophobicContact CE1-CD2 3.31Å; F340-L342 HydrophobicContact CE1-CG 4.33Å; F340-L342 HydrophobicContact CE2-CD2 4.44Å; F340-L342 HydrophobicContact CG-CD2 4.39Å; F340-L342 HydrophobicContact CZ-CD2 3.74Å; F340-L342 PolarHBondContact O-N 3.41Å; L342-F381 HydrophobicContact CB-CZ 4.17Å; L342-F381 HydrophobicContact CD1-CZ 4.47Å; L342-F381 HydrophobicContact CD2-CE2 3.81Å; L342-F381 HydrophobicContact CD2-CZ 3.85Å; L342-F381 HydrophobicContact CG-CZ 4.4Å; L342-L389 HydrophobicContact CD1-CD1 4.45Å; L342-L389 HydrophobicContact CD1-CD2 4.12Å; L342-L389 HydrophobicContact CD2-CD2 4.12Å; L342-L403 HydrophobicContact CD1-CD1 4.26Å; L342-L403 HydrophobicContact CD1-CD2 3.99Å; L342-L403 HydrophobicContact CG-CD2 4.33Å; L342-V404 PolarHBondContact N-O 3.12Å; L342-L405 HydrophobicContact CB-CB 4.17Å; L342-L409 HydrophobicContact CB-CD2 3.79Å; L342-L409 WeakPolarHBondContact O-CD2 3.33Å; L342-I413 HydrophobicContact CD1-CD1 3.96Å
343M96.4Very high88.6Confident4 Ų444 Ų442%0.0225%0.245CC..SBendtrans-128.5161.4-177.3-57.5177.774.900108.8T315 F341 C345 T348 Y382 V404 F406 I442T315-M343 HydrophobicContact CG2-CE 4.38Å; F341-M343 HydrophobicContact CD1-SD 4.02Å; F341-M343 PolarHBondContact O-N 3.03Å; F341-M343 VanDerWaalsContact O-N 3.16Å; M343-C345 PolarHBondContact O-N 3.35Å; M343-T348 HydrophobicContact CE-CG2 4.34Å; M343-T348 HydrophobicContact SD-CG2 4Å; M343-Y382 WeakPolarHBondContact CA-OH 3.31Å; M343-V404 HydrophobicContact SD-CG1 3.76Å; M343-F406 HydrophobicContact CB-CD2 4.38Å; M343-F406 HydrophobicContact CB-CE2 4.35Å; M343-F406 HydrophobicContact CE-CD1 4.08Å; M343-F406 HydrophobicContact CE-CD2 3.76Å; M343-F406 HydrophobicContact CE-CE1 3.64Å; M343-F406 HydrophobicContact CE-CE2 3.3Å; M343-F406 HydrophobicContact CE-CG 4.13Å; M343-F406 HydrophobicContact CE-CZ 3.22Å; M343-F406 HydrophobicContact CG-CD2 4.38Å; M343-I442 HydrophobicContact CE-CD1 3.77Å; M343-I442 HydrophobicContact CE-CG1 3.95Å; M343-I442 HydrophobicContact CE-CG2 4.4Å
344P94.6Very high90.2Very high28 Ų2839.5 Ų39.518%0.18221%0.208CC..SBendtrans-49.9142.4168.2-25.836.1000110.5S347 Y382 F406 R437 V438P344-S347 WeakPolarHBondContact O-CB 3.39Å; P344-S347 PolarHBondContact O-N 3.02Å; P344-S347 PolarHBondContact O-OG 2.62Å; P344-Y382 WeakPolarHBondContact CD-OH 3.38Å; P344-Y382 VanDerWaalsContact N-OH 3.1Å; P344-F406 HydrophobicContact CG-CE2 4.44Å; P344-R437 HydrophobicContact CG-CB 3.8Å; P344-V438 HydrophobicContact CG-CG2 4.33Å
345C91.6Very high91.6Very high36 Ų3632.5 Ų32.524%0.24318%0.183CC..THydrogen-bonded Turntrans-53.6144-17656.60000111.7M343 S347 L363 C365M343-C345 PolarHBondContact O-N 3.35Å; C345-S347 PolarHBondContact O-N 3.45Å; C345-S347 VanDerWaalsContact O-N 3.16Å; C345-L363 VanDerWaalsContact CB-O 3.23Å; C345-L363 WeakPolarHBondContact CB-O 3.31Å; C345-C365 HydrophobicContact CB-CB 3.7Å; C345-C365 WeakPolarHBondContact CB-SG 3.3Å; C345-C365 WeakPolarHBondContact SG-CB 3.42Å; C345-C365 CovalentContact SG-SG 2.02Å; C345-C365 PolarHBondContact SG-SG 2.92Å
346H91.1Very high92.5Very high85 Ų8527.8 Ų27.839%0.39415%0.153SC..THydrogen-bonded Turntrans59.321.1-179.9-50.8-66.3000116.1T348H346-T348 VanDerWaalsContact C-N 3.28Å; H346-T348 PolarHBondContact O-N 3.32Å
347S94.4Very high92.9Very high31 Ų3127.1 Ų27.122%0.21716%0.157CC..  trans-64.1-29.1177.6-68.70000114.1T315 P344 C345T315-S347 WeakPolarHBondContact CB-O 3.38Å; T315-S347 WeakPolarHBondContact CG2-O 3.49Å; P344-S347 WeakPolarHBondContact O-CB 3.39Å; P344-S347 PolarHBondContact O-N 3.02Å; P344-S347 PolarHBondContact O-OG 2.62Å; C345-S347 PolarHBondContact O-N 3.45Å; C345-S347 VanDerWaalsContact O-N 3.16Å
348T95.3Very high93Very high16 Ų1626.4 Ų26.410%0.09815%0.152CC..SBendtrans-119.3153.9-175.867.20000111.1T315 M319 F341 M343 H346 F350T315-T348 HydrophobicContact CG2-CG2 4.35Å; M319-T348 HydrophobicContact CE-CG2 3.57Å; F341-T348 HydrophobicContact CD1-CG2 4.14Å; F341-T348 HydrophobicContact CE1-CG2 4.1Å; M343-T348 HydrophobicContact CE-CG2 4.34Å; M343-T348 HydrophobicContact SD-CG2 4Å; H346-T348 VanDerWaalsContact C-N 3.28Å; H346-T348 PolarHBondContact O-N 3.32Å; T348-F350 PolarHBondContact O-N 3.34Å
349P93.5Very high93Very high37 Ų3730.7 Ų30.724%0.2417%0.17CC..  trans-78.80.8-178.337.8-41.8000113.3T315 L316 M319 S352 H353T315-P349 WeakPolarHBondContact O-CD 3.35Å; L316-P349 HydrophobicContact CD2-CG 3.76Å; M319-P349 HydrophobicContact CG-CG 3.77Å; M319-P349 HydrophobicContact SD-CG 4.46Å; P349-S352 PolarHBondContact O-N 2.9Å; P349-S352 PolarHBondContact O-OG 3.49Å; P349-H353 VanDerWaalsContact CB-ND1 3.34Å; P349-H353 WeakPolarHBondContact CB-ND1 3.23Å; P349-H353 HydrophobicContact CG-CB 3.87Å; P349-H353 VanDerWaalsContact CG-CG 3.45Å; P349-H353 WeakPolarHBondContact CG-ND1 3.47Å
350F93.6Very high92.9Very high16 Ų1631.5 Ų31.57%0.0717%0.173CC..G310 helixtrans55.7-136.5166.7-148.7-130.7000113.2Y7 F341 T348 S352 H353 V354 M360 I362Y7-F350 HydrophobicContact CD1-CD1 4.5Å; Y7-F350 HydrophobicContact CD1-CE1 4.49Å; Y7-F350 HydrophobicContact CD2-CE1 4.43Å; Y7-F350 HydrophobicContact CG-CD1 4.26Å; Y7-F350 AromaticContact CG-CE1 3.95Å; Y7-F350 HydrophobicContact CG-CE1 3.95Å; F341-F350 HydrophobicContact CD2-CD2 4.32Å; F341-F350 AromaticContact CD2-CE2 3.82Å; F341-F350 HydrophobicContact CD2-CE2 3.82Å; F341-F350 AromaticContact CE2-CD2 3.92Å; F341-F350 HydrophobicContact CE2-CD2 3.92Å; F341-F350 AromaticContact CE2-CE2 3.61Å; F341-F350 HydrophobicContact CE2-CE2 3.61Å; T348-F350 PolarHBondContact O-N 3.34Å; F350-S352 PolarHBondContact O-N 3.31Å; F350-H353 PolarHBondContact O-N 2.93Å; F350-V354 PolarHBondContact O-N 2.9Å; F350-M360 HydrophobicContact CD2-CB 4.38Å; F350-M360 HydrophobicContact CD2-CE 4.13Å; F350-M360 HydrophobicContact CD2-SD 4.36Å; F350-M360 HydrophobicContact CE1-CB 4.34Å; F350-M360 HydrophobicContact CE2-CB 3.39Å; F350-M360 HydrophobicContact CE2-CE 4.18Å; F350-M360 HydrophobicContact CE2-CG 4.38Å; F350-M360 HydrophobicContact CE2-SD 4.2Å; F350-M360 HydrophobicContact CG-CE 4.32Å; F350-M360 HydrophobicContact CZ-CB 3.36Å; F350-M360 HydrophobicContact CZ-CE 4.43Å; F350-M360 WeakPolarHBondContact CZ-O 3.48Å; F350-I362 HydrophobicContact CD2-CG2 3.95Å; F350-I362 HydrophobicContact CE2-CG2 3.55Å; F350-I362 HydrophobicContact CZ-CG2 4.04Å
351Y92.3Very high92.8Very high41 Ų4136.6 Ų36.616%0.16119%0.193CC..G310 helixtrans-53.6-23.8-177.1-74.4-72.6000115.2Y5 H353 V354 H355 L358 M360Y5-Y351 HydrophobicContact CD2-CD1 4.02Å; Y5-Y351 HydrophobicContact CD2-CE1 4.4Å; Y5-Y351 HydrophobicContact CE2-CD1 4.3Å; Y351-H353 PolarHBondContact O-N 3.37Å; Y351-V354 PolarHBondContact O-N 2.89Å; Y351-H355 PolarHBondContact O-N 3Å; Y351-L358 WeakPolarHBondContact CE1-O 3.38Å; Y351-L358 PolarHBondContact OH-O 3.4Å; Y351-M360 HydrophobicContact CD1-CE 3.43Å; Y351-M360 VanDerWaalsContact CD1-CE 3.43Å; Y351-M360 HydrophobicContact CD2-CE 4.03Å; Y351-M360 HydrophobicContact CE1-CE 3.36Å; Y351-M360 HydrophobicContact CE2-CE 3.97Å; Y351-M360 HydrophobicContact CG-CE 3.75Å
352S90.8Very high92.7Very high59 Ų5937.2 Ų37.241%0.41320%0.196SC..G310 helixtrans-66.8-19.117869.80000113.8P349 F350P349-S352 PolarHBondContact O-N 2.9Å; P349-S352 PolarHBondContact O-OG 3.49Å; F350-S352 PolarHBondContact O-N 3.31Å
353H93.1Very high92.5Very high23 Ų2337.1 Ų37.111%0.10620%0.195CC..G310 helixtrans-121.410.1179.1-68.256.2000112.6I44 M319 Q323 P349 F350 Y351I44-H353 HydrophobicContact CD1-CB 4.14Å; I44-H353 VanDerWaalsContact CD1-CD2 3.48Å; I44-H353 WeakPolarHBondContact CD1-CD2 3.26Å; M319-H353 HydrophobicContact CB-CB 3.71Å; M319-H353 HydrophobicContact CG-CB 3.95Å; Q323-H353 WeakPolarHBondContact CG-O 3.31Å; Q323-H353 PolarHBondContact NE2-O 3.01Å; P349-H353 VanDerWaalsContact CB-ND1 3.34Å; P349-H353 WeakPolarHBondContact CB-ND1 3.23Å; P349-H353 HydrophobicContact CG-CB 3.87Å; P349-H353 VanDerWaalsContact CG-CG 3.45Å; P349-H353 WeakPolarHBondContact CG-ND1 3.47Å; F350-H353 PolarHBondContact O-N 2.93Å; Y351-H353 PolarHBondContact O-N 3.37Å
354V92.4Very high92.3Very high2 Ų240.3 Ų40.31%0.01221%0.21CC..THydrogen-bonded Turntrans-115.8-39.6173.7175.50000110.4M319 F350 Y351 C356 L358 M360M319-V354 HydrophobicContact CB-CG2 4.4Å; M319-V354 HydrophobicContact SD-CG2 4.14Å; F350-V354 PolarHBondContact O-N 2.9Å; Y351-V354 PolarHBondContact O-N 2.89Å; V354-C356 VanDerWaalsContact C-N 3.28Å; V354-C356 VanDerWaalsContact CG1-SG 3.6Å; V354-C356 PolarHBondContact O-N 3.48Å; V354-L358 HydrophobicContact CG1-CD1 4.03Å; V354-M360 HydrophobicContact CB-CE 4.15Å; V354-M360 HydrophobicContact CG1-CE 4.3Å; V354-M360 HydrophobicContact CG2-CE 4.13Å; V354-M360 HydrophobicContact CG2-SD 4.18Å
355H90.9Very high92.1Very high29 Ų2939.1 Ų39.113%0.13420%0.203CC..  trans43.547.8178.8-165.160.6000114.8F3 Y5 D38 V40 L43 Y351F3-H355 AromaticContact CD1-CE1 3.65Å; F3-H355 AromaticContact CD2-CE1 3.71Å; F3-H355 AromaticContact CE1-CE1 3.63Å; F3-H355 AromaticContact CE2-CE1 3.72Å; F3-H355 AromaticContact CG-CE1 3.69Å; F3-H355 AromaticContact CZ-CE1 3.68Å; Y5-H355 AromaticContact CZ-ND1 3.86Å; Y5-H355 PolarHBondContact OH-CE1 3.27Å; Y5-H355 PolarHBondContact OH-ND1 3.49Å; Y5-H355 PolarHBondContact OH-O 2.96Å; D38-H355 PolarHBondContact O-CD2 2.96Å; D38-H355 PolarHBondContact O-NE2 2.91Å; D38-H355 IonicContact OD2-CE1 3.02Å; D38-H355 IonicContact OD2-NE2 2.66Å; D38-H355 PolarHBondContact OD2-NE2 3.48Å; V40-H355 HydrophobicContact CG2-CB 3.77Å; L43-H355 HydrophobicContact CD1-CB 3.95Å; L43-H355 WeakPolarHBondContact CD1-CD2 3.11Å; L43-H355 WeakPolarHBondContact CD1-CE1 3.39Å; L43-H355 WeakPolarHBondContact CD1-ND1 3.37Å; L43-H355 WeakPolarHBondContact CD1-NE2 3.49Å; Y351-H355 PolarHBondContact O-N 3Å
356C87.2Confident91.9Very high16 Ų1639.2 Ų39.211%0.10820%0.203CC..SBendtrans-150.2158.8169.879.50000109.2C326 V354 L358C326-C356 HydrophobicContact CB-CB 3.7Å; C326-C356 WeakPolarHBondContact CB-SG 3.4Å; C326-C356 WeakPolarHBondContact SG-CB 3.41Å; C326-C356 CovalentContact SG-SG 2.04Å; C326-C356 PolarHBondContact SG-SG 3.34Å; V354-C356 VanDerWaalsContact C-N 3.28Å; V354-C356 VanDerWaalsContact CG1-SG 3.6Å; V354-C356 PolarHBondContact O-N 3.48Å; C356-L358 PolarHBondContact O-N 2.93Å; C356-L358 WeakPolarHBondContact SG-CD1 3.12Å; C356-L358 WeakPolarHBondContact SG-CG 3.34Å
357P86.1Confident91.7Very high91 Ų9135.4 Ų35.459%0.59119%0.186SC*.  trans-79.339.8-172.834.5-37.3000112.9Q336Q336-P357 PolarHBondContact NE2-O 3.37Å
358L89.2Confident91.2Very high2 Ų238 Ų381%0.0120%0.197CC..  trans-64.7141.8173.5-80.3171.3000110.7L325 I339 Y351 V354 C356 M360L325-L358 HydrophobicContact CB-CD1 4.17Å; I339-L358 HydrophobicContact CD1-CD1 4.13Å; Y351-L358 WeakPolarHBondContact CE1-O 3.38Å; Y351-L358 PolarHBondContact OH-O 3.4Å; V354-L358 HydrophobicContact CG1-CD1 4.03Å; C356-L358 PolarHBondContact O-N 2.93Å; C356-L358 WeakPolarHBondContact SG-CD1 3.12Å; C356-L358 WeakPolarHBondContact SG-CG 3.34Å; L358-M360 HydrophobicContact CB-CG 4.17Å; L358-M360 PolarHBondContact O-N 3.05Å
359K92Very high90.4Very high122 Ų12240.8 Ų40.853%0.5321%0.211SC..EExtended strand (participates in β ladder)trans-75.1112.7172-171.8-179.2172.6-154.80108.1D338 I339D338-K359 HydrophobicContact CB-CD 4.37Å; D338-K359 IonicContact OD1-NZ 2.82Å; D338-K359 WeakPolarHBondContact OD2-CE 3.39Å; D338-K359 IonicContact OD2-NZ 3.53Å; D338-K359 PolarHBondContact OD2-NZ 3.4Å; I339-K359 PolarHBondContact N-O 2.93Å
360M94.1Very high89.4Confident16 Ų1642.2 Ų42.28%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-130.5139.8179.7-60-167.3-7200109.8I339 F341 F350 Y351 V354 L358I339-M360 HydrophobicContact CB-CG 4.2Å; I339-M360 HydrophobicContact CD1-CG 4.01Å; I339-M360 HydrophobicContact CD1-SD 4.27Å; I339-M360 CarbonylContact O-C 3.56Å; I339-M360 WeakPolarHBondContact O-CA 3.48Å; F341-M360 HydrophobicContact CE2-CB 4.3Å; F341-M360 HydrophobicContact CE2-SD 4.1Å; F341-M360 HydrophobicContact CZ-SD 4.44Å; F350-M360 HydrophobicContact CD2-CB 4.38Å; F350-M360 HydrophobicContact CD2-CE 4.13Å; F350-M360 HydrophobicContact CD2-SD 4.36Å; F350-M360 HydrophobicContact CE1-CB 4.34Å; F350-M360 HydrophobicContact CE2-CB 3.39Å; F350-M360 HydrophobicContact CE2-CE 4.18Å; F350-M360 HydrophobicContact CE2-CG 4.38Å; F350-M360 HydrophobicContact CE2-SD 4.2Å; F350-M360 HydrophobicContact CG-CE 4.32Å; F350-M360 HydrophobicContact CZ-CB 3.36Å; F350-M360 HydrophobicContact CZ-CE 4.43Å; F350-M360 WeakPolarHBondContact CZ-O 3.48Å; Y351-M360 HydrophobicContact CD1-CE 3.43Å; Y351-M360 VanDerWaalsContact CD1-CE 3.43Å; Y351-M360 HydrophobicContact CD2-CE 4.03Å; Y351-M360 HydrophobicContact CE1-CE 3.36Å; Y351-M360 HydrophobicContact CE2-CE 3.97Å; Y351-M360 HydrophobicContact CG-CE 3.75Å; V354-M360 HydrophobicContact CB-CE 4.15Å; V354-M360 HydrophobicContact CG1-CE 4.3Å; V354-M360 HydrophobicContact CG2-CE 4.13Å; V354-M360 HydrophobicContact CG2-SD 4.18Å; L358-M360 HydrophobicContact CB-CG 4.17Å; L358-M360 PolarHBondContact O-N 3.05Å
361R94.6Very high88.4Confident111 Ų11148.1 Ų48.142%0.41926%0.26SS..EExtended strand (participates in β ladder)trans-131.1143.6175.7-178.1-179.7173.5178.5-0.9110.2I339 F340 F341 E377I339-R361 PolarHBondContact O-N 3.42Å; F340-R361 HydrophobicContact CD2-CB 3.82Å; F340-R361 HydrophobicContact CD2-CG 3.81Å; F340-R361 WeakPolarHBondContact CD2-O 3.28Å; F340-R361 HydrophobicContact CE2-CB 4.31Å; F340-R361 HydrophobicContact CE2-CG 3.77Å; F341-R361 WeakPolarHBondContact CD2-O 3.44Å; F341-R361 PolarHBondContact N-O 3.44Å; R361-E377 IonicContact CZ-OE1 3.59Å; R361-E377 IonicContact NE-OE1 3.9Å; R361-E377 IonicContact NH2-OE1 2.96Å; R361-E377 PolarHBondContact NH2-OE1 2.77Å
362I95.4Very high87.2Confident15 Ų1554.6 Ų54.68%0.07730%0.298CS..EExtended strand (participates in β ladder)trans-115.3160.3170.263.1175.8000109Y7 F341 F350 E364Y7-I362 HydrophobicContact CE1-CD1 3.89Å; F341-I362 HydrophobicContact CB-CG2 4.04Å; F341-I362 HydrophobicContact CD2-CG2 3.97Å; F341-I362 HydrophobicContact CG-CG2 4.22Å; F350-I362 HydrophobicContact CD2-CG2 3.95Å; F350-I362 HydrophobicContact CE2-CG2 3.55Å; F350-I362 HydrophobicContact CZ-CG2 4.04Å; I362-E364 PolarHBondContact O-N 3.42Å
363L94.8Very high86.2Confident0 Ų055.7 Ų55.70%032%0.318CS..  trans-65.1122162.5-68.3167.9000108.8F340 F341 C345 E377 A378 F381 Y382 W388F340-L363 HydrophobicContact CE2-CD2 4.34Å; F340-L363 HydrophobicContact CE2-CG 4.44Å; F340-L363 HydrophobicContact CZ-CD2 3.85Å; F340-L363 HydrophobicContact CZ-CG 4.35Å; F341-L363 PolarHBondContact O-N 3.45Å; C345-L363 VanDerWaalsContact CB-O 3.23Å; C345-L363 WeakPolarHBondContact CB-O 3.31Å; L363-E377 HydrophobicContact CD2-CG 4.26Å; L363-A378 HydrophobicContact CB-CB 4.16Å; L363-F381 HydrophobicContact CD1-CB 4.36Å; L363-F381 HydrophobicContact CD1-CD1 3.33Å; L363-F381 HydrophobicContact CD1-CE1 3.68Å; L363-F381 HydrophobicContact CD1-CG 3.83Å; L363-F381 HydrophobicContact CD1-CZ 4.43Å; L363-F381 HydrophobicContact CD2-CB 3.98Å; L363-F381 HydrophobicContact CD2-CD1 4.33Å; L363-F381 HydrophobicContact CD2-CD2 4.36Å; L363-F381 HydrophobicContact CD2-CG 3.95Å; L363-F381 HydrophobicContact CG-CD1 4.49Å; L363-Y382 HydrophobicContact CD1-CE2 4.24Å; L363-W388 HydrophobicContact CD2-CH2 4.21Å; L363-W388 HydrophobicContact CD2-CZ2 4.46Å
364E92.1Very high85.4Confident70 Ų7057.7 Ų57.733%0.32733%0.325SS..  trans-84.3147.9178.7-60.5-167171.800111.2Y7 I362 E377 A378Y7-E364 PolarHBondContact OH-OE1 3.45Å; Y7-E364 VanDerWaalsContact OH-OE1 3.1Å; I362-E364 PolarHBondContact O-N 3.42Å; E364-E377 WeakPolarHBondContact CB-OE2 3.47Å; E364-E377 PolarHBondContact N-OE2 3.03Å; E364-A378 PolarHBondContact O-N 3.39Å; E364-A378 VanDerWaalsContact O-N 3.11Å
365C89.8Confident84.8Confident4 Ų459.9 Ų59.93%0.02734%0.344CS..  trans-138.556.6177.367.10000110.9F206 C345 E376 A378F206-C365 WeakPolarHBondContact CE1-O 3.44Å; C345-C365 HydrophobicContact CB-CB 3.7Å; C345-C365 WeakPolarHBondContact CB-SG 3.3Å; C345-C365 WeakPolarHBondContact SG-CB 3.42Å; C345-C365 CovalentContact SG-SG 2.02Å; C345-C365 PolarHBondContact SG-SG 2.92Å; C365-E376 HydrophobicContact CB-CG 4.1Å; C365-A378 HydrophobicContact CB-CB 4.27Å
366P88.2Confident84.6Confident38 Ų3860.5 Ų60.525%0.24735%0.347CS..PPolyproline II helixtrans-64.9142.8175.430.7-33.5000108.9W10 Y374W10-P366 HydrophobicContact CB-CB 4.14Å; W10-P366 HydrophobicContact CG-CB 4.18Å; P366-Y374 VanDerWaalsContact O-CE2 3.27Å; P366-Y374 WeakPolarHBondContact O-CE2 3.44Å; P366-Y374 VanDerWaalsContact O-CZ 3.29Å; P366-Y374 PolarHBondContact O-OH 2.68Å
367P85.9Confident84.8Confident5 Ų561.1 Ų61.13%0.03235%0.348CS..PPolyproline II helixtrans-70.4161172.532.3-36.3000110.7W10 V203 F206 L369W10-P367 VanDerWaalsContact CD2-CD 3.42Å; W10-P367 HydrophobicContact CD2-CG 3.99Å; W10-P367 HydrophobicContact CE3-CG 3.98Å; W10-P367 HydrophobicContact CH2-CG 3.46Å; W10-P367 VanDerWaalsContact CH2-CG 3.46Å; W10-P367 VanDerWaalsContact CZ2-CD 3.47Å; W10-P367 HydrophobicContact CZ2-CG 3.43Å; W10-P367 VanDerWaalsContact CZ2-CG 3.43Å; W10-P367 HydrophobicContact CZ3-CG 3.74Å; V203-P367 HydrophobicContact CG1-CB 3.68Å; V203-P367 HydrophobicContact CG1-CG 3.59Å; F206-P367 HydrophobicContact CD1-CB 4.12Å; F206-P367 HydrophobicContact CG-CB 4.17Å; P367-L369 HydrophobicContact CG-CD2 4.02Å; P367-L369 PolarHBondContact O-N 2.77Å
368D83.3Confident85.1Confident86 Ų8656.9 Ų56.946%0.4632%0.321SS..PPolyproline II helixtrans-67.2118172.4-168.2-6.8000110G370 Y374D368-G370 WeakPolarHBondContact OD1-CA 3.32Å; D368-G370 PolarHBondContact OD1-N 3.13Å; D368-Y374 HydrophobicContact CB-CD1 3.59Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.62Å; D368-Y374 HydrophobicContact CB-CE2 4.17Å; D368-Y374 HydrophobicContact CB-CG 3.86Å; D368-Y374 VanDerWaalsContact N-CZ 3.32Å; D368-Y374 PolarHBondContact N-OH 2.81Å
369L79.8Confident85.3Confident73 Ų7358.6 Ų58.638%0.38234%0.335SS..  trans-103.712.8177.4-58.3-176.9000112.3W10 A14 F197 V203 P367W10-L369 HydrophobicContact CE3-CD1 4.28Å; W10-L369 HydrophobicContact CZ3-CD2 4.25Å; A14-L369 HydrophobicContact CB-CD1 4.44Å; F197-L369 HydrophobicContact CD1-CD2 3.99Å; F197-L369 HydrophobicContact CE1-CD2 3.92Å; V203-L369 HydrophobicContact CG2-CD2 4.45Å; P367-L369 HydrophobicContact CG-CD2 4.02Å; P367-L369 PolarHBondContact O-N 2.77Å
370G72.7Confident85.3Confident68 Ų6857.2 Ų57.270%0.70133%0.331SS*.SBendtrans8932.8-177.200000113.3D368D368-G370 WeakPolarHBondContact OD1-CA 3.32Å; D368-G370 PolarHBondContact OD1-N 3.13Å
371E72.1Confident85.4Confident139 Ų13956.5 Ų56.565%0.6533%0.327SS*.  trans-90.7132.5177.4-66.3-174.6178.300110.8G373 Y374E371-G373 PolarHBondContact O-N 3.03Å; E371-Y374 WeakPolarHBondContact O-CB 3.19Å; E371-Y374 PolarHBondContact O-N 3.44Å
372D67.3Low85.5Confident178 Ų17853 Ų5395%0.95231%0.314SS*.THydrogen-bonded Turntrans-62.8123.2177.5-72.8-37000110.8
373G68.8Low85.5Confident81 Ų8156.9 Ų56.984%0.83534%0.343SS*.THydrogen-bonded Turntrans81.419.3-178.600000114.6E371 A375E371-G373 PolarHBondContact O-N 3.03Å; G373-A375 PolarHBondContact O-N 3.4Å
374Y77.9Confident85.5Confident65 Ų6560.5 Ų60.526%0.25536%0.362SS..  trans-49.8128.1174.1170.9-96000111.9P366 D368 E371P366-Y374 VanDerWaalsContact O-CE2 3.27Å; P366-Y374 WeakPolarHBondContact O-CE2 3.44Å; P366-Y374 VanDerWaalsContact O-CZ 3.29Å; P366-Y374 PolarHBondContact O-OH 2.68Å; D368-Y374 HydrophobicContact CB-CD1 3.59Å; D368-Y374 HydrophobicContact CB-CD2 4.15Å; D368-Y374 HydrophobicContact CB-CE1 3.62Å; D368-Y374 HydrophobicContact CB-CE2 4.17Å; D368-Y374 HydrophobicContact CB-CG 3.86Å; D368-Y374 VanDerWaalsContact N-CZ 3.32Å; D368-Y374 PolarHBondContact N-OH 2.81Å; E371-Y374 WeakPolarHBondContact O-CB 3.19Å; E371-Y374 PolarHBondContact O-N 3.44Å
375A78.6Confident85.8Confident49 Ų4957.5 Ų57.541%0.40535%0.348SS..  trans-145.3131168.100000110.6G373 E377 Q380G373-A375 PolarHBondContact O-N 3.4Å; A375-E377 PolarHBondContact O-N 3.21Å; A375-Q380 HydrophobicContact CB-CG 4.28Å
376E86.7Confident86.1Confident42 Ų4259 Ų5920%0.19636%0.356CS..  trans-72.6115.7178.1-174-165.1154.800110F206 C365 A378 A379 Q380F206-E376 HydrophobicContact CZ-CG 4.15Å; F206-E376 WeakPolarHBondContact CZ-OE2 3.42Å; C365-E376 HydrophobicContact CB-CG 4.1Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 HydrophobicContact CG-CB 4.43Å; E376-A378 PolarHBondContact O-N 3.3Å; E376-A379 HydrophobicContact CB-CB 3.83Å; E376-A379 HydrophobicContact CG-CB 4.07Å; E376-A379 PolarHBondContact O-N 2.64Å; E376-A379 VanDerWaalsContact O-N 3.12Å; E376-Q380 WeakPolarHBondContact O-CG 3.19Å; E376-Q380 PolarHBondContact O-N 3.06Å
377E92.2Very high86.5Confident29 Ų2962 Ų6214%0.13637%0.369CS..Hα-helixtrans-53-49179.6-179.3-170.4-158.300111.4R361 L363 E364 A375 A379 Q380 F381 W388R361-E377 IonicContact CZ-OE1 3.59Å; R361-E377 IonicContact NE-OE1 3.9Å; R361-E377 IonicContact NH2-OE1 2.96Å; R361-E377 PolarHBondContact NH2-OE1 2.77Å; L363-E377 HydrophobicContact CD2-CG 4.26Å; E364-E377 WeakPolarHBondContact CB-OE2 3.47Å; E364-E377 PolarHBondContact N-OE2 3.03Å; A375-E377 PolarHBondContact O-N 3.21Å; E377-A379 PolarHBondContact O-N 2.96Å; E377-Q380 PolarHBondContact O-N 2.93Å; E377-F381 WeakPolarHBondContact O-CB 3.38Å; E377-F381 PolarHBondContact O-N 3.28Å; E377-W388 HydrophobicContact CG-CZ2 3.73Å; E377-W388 WeakPolarHBondContact OE1-CZ2 3.44Å
378A92.8Very high87Confident2 Ų263.5 Ų63.52%0.01737%0.374CS..Hα-helixtrans-60.9-42.4178.400000112.5L363 E364 C365 E376 F381 Y382L363-A378 HydrophobicContact CB-CB 4.16Å; E364-A378 PolarHBondContact O-N 3.39Å; E364-A378 VanDerWaalsContact O-N 3.11Å; C365-A378 HydrophobicContact CB-CB 4.27Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 HydrophobicContact CG-CB 4.43Å; E376-A378 PolarHBondContact O-N 3.3Å; A378-F381 PolarHBondContact O-N 3.49Å; A378-Y382 WeakPolarHBondContact O-CD2 3.43Å; A378-Y382 PolarHBondContact O-N 3.36Å
379A91.8Very high87.6Confident37 Ų3759.4 Ų59.431%0.30635%0.353SS..Hα-helixtrans-66-42.4177.500000112.1E376 E377 F381 Y382 S383E376-A379 HydrophobicContact CB-CB 3.83Å; E376-A379 HydrophobicContact CG-CB 4.07Å; E376-A379 PolarHBondContact O-N 2.64Å; E376-A379 VanDerWaalsContact O-N 3.12Å; E377-A379 PolarHBondContact O-N 2.96Å; A379-F381 VanDerWaalsContact C-N 3.34Å; A379-F381 PolarHBondContact O-N 3.45Å; A379-Y382 PolarHBondContact O-N 3.15Å; A379-S383 PolarHBondContact O-N 3.42Å
380Q93.6Very high88.4Confident94 Ų9462.8 Ų62.844%0.43936%0.36SS..Hα-helixtrans-59.7-46174.5-72-174.3-16.800111.3A375 E376 E377 S383A375-Q380 HydrophobicContact CB-CG 4.28Å; E376-Q380 WeakPolarHBondContact O-CG 3.19Å; E376-Q380 PolarHBondContact O-N 3.06Å; E377-Q380 PolarHBondContact O-N 2.93Å; Q380-S383 PolarHBondContact O-N 2.79Å; Q380-S383 PolarHBondContact O-OG 3.09Å
381F96.1Very high89.4Confident0 Ų064.3 Ų64.30%036%0.356CS..Hα-helixtrans-56.8-53.7176.1171.9-101.1000111.6L342 L363 E377 A378 A379 S383 N384 P385 W388 L389 L409L342-F381 HydrophobicContact CB-CZ 4.17Å; L342-F381 HydrophobicContact CD1-CZ 4.47Å; L342-F381 HydrophobicContact CD2-CE2 3.81Å; L342-F381 HydrophobicContact CD2-CZ 3.85Å; L342-F381 HydrophobicContact CG-CZ 4.4Å; L363-F381 HydrophobicContact CD1-CB 4.36Å; L363-F381 HydrophobicContact CD1-CD1 3.33Å; L363-F381 HydrophobicContact CD1-CE1 3.68Å; L363-F381 HydrophobicContact CD1-CG 3.83Å; L363-F381 HydrophobicContact CD1-CZ 4.43Å; L363-F381 HydrophobicContact CD2-CB 3.98Å; L363-F381 HydrophobicContact CD2-CD1 4.33Å; L363-F381 HydrophobicContact CD2-CD2 4.36Å; L363-F381 HydrophobicContact CD2-CG 3.95Å; L363-F381 HydrophobicContact CG-CD1 4.49Å; E377-F381 WeakPolarHBondContact O-CB 3.38Å; E377-F381 PolarHBondContact O-N 3.28Å; A378-F381 PolarHBondContact O-N 3.49Å; A379-F381 VanDerWaalsContact C-N 3.34Å; A379-F381 PolarHBondContact O-N 3.45Å; F381-S383 PolarHBondContact O-N 3.48Å; F381-N384 CarbonylContact O-C 3.57Å; F381-N384 VanDerWaalsContact O-C 3.27Å; F381-N384 PolarHBondContact O-N 2.97Å; F381-P385 HydrophobicContact CD2-CB 4.45Å; F381-P385 HydrophobicContact CE1-CB 4.47Å; F381-P385 HydrophobicContact CE2-CB 3.91Å; F381-P385 HydrophobicContact CZ-CB 3.92Å; F381-P385 HydrophobicContact CZ-CG 4.49Å; F381-P385 WeakPolarHBondContact O-CA 3.47Å; F381-P385 VanDerWaalsContact O-CD 3.3Å; F381-P385 WeakPolarHBondContact O-CD 3.18Å; F381-P385 WeakPolarHBondContact O-CG 3.47Å; F381-W388 HydrophobicContact CB-CD2 4.14Å; F381-W388 HydrophobicContact CB-CG 4.17Å; F381-W388 HydrophobicContact CD2-CB 4.28Å; F381-W388 AromaticContact CD2-CD2 3.82Å; F381-W388 HydrophobicContact CD2-CD2 3.82Å; F381-W388 AromaticContact CD2-CE3 3.55Å; F381-W388 HydrophobicContact CD2-CE3 3.55Å; F381-W388 HydrophobicContact CD2-CG 4.14Å; F381-W388 HydrophobicContact CD2-CZ3 4.18Å; F381-W388 HydrophobicContact CE2-CE3 4.23Å; F381-W388 HydrophobicContact CG-CD2 4.49Å; F381-L389 HydrophobicContact CE2-CD1 4.32Å; F381-L389 HydrophobicContact CE2-CD2 4.19Å; F381-L389 HydrophobicContact CE2-CG 4.01Å; F381-L409 HydrophobicContact CE1-CD1 4.2Å; F381-L409 HydrophobicContact CE1-CD2 3.93Å; F381-L409 HydrophobicContact CZ-CD1 4.13Å; F381-L409 HydrophobicContact CZ-CD2 3.72Å
382Y95.3Very high90.4Very high37 Ų3759.5 Ų59.515%0.14534%0.34CS..Hα-helixtrans-70.9-11.3-177.7-76.9-66.5000114.5M343 P344 L363 A378 A379 R437M343-Y382 WeakPolarHBondContact CA-OH 3.31Å; P344-Y382 WeakPolarHBondContact CD-OH 3.38Å; P344-Y382 VanDerWaalsContact N-OH 3.1Å; L363-Y382 HydrophobicContact CD1-CE2 4.24Å; A378-Y382 WeakPolarHBondContact O-CD2 3.43Å; A378-Y382 PolarHBondContact O-N 3.36Å; A379-Y382 PolarHBondContact O-N 3.15Å; Y382-R437 HydrophobicContact CD1-CG 4.09Å; Y382-R437 HydrophobicContact CE1-CB 4.23Å; Y382-R437 HydrophobicContact CE1-CG 4.06Å; Y382-R437 HydrophobicContact CG-CG 4.44Å
383S95.5Very high91.8Very high98 Ų9852.2 Ų52.269%0.68530%0.3SS*.Hα-helixtrans-74.6-36.7173.575.70000112.7A379 Q380 F381A379-S383 PolarHBondContact O-N 3.42Å; Q380-S383 PolarHBondContact O-N 2.79Å; Q380-S383 PolarHBondContact O-OG 3.09Å; F381-S383 PolarHBondContact O-N 3.48Å
384N96.3Very high92.8Very high75 Ų7552.4 Ų52.440%0.40129%0.286SS..  trans-157.383.4175.1-170-29.8000109.8F381 L386 L387 W388F381-N384 CarbonylContact O-C 3.57Å; F381-N384 VanDerWaalsContact O-C 3.27Å; F381-N384 PolarHBondContact O-N 2.97Å; N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 3.05Å; N384-L387 HydrophobicContact CB-CB 4.13Å; N384-L387 VanDerWaalsContact CG-CB 3.44Å; N384-L387 PolarHBondContact O-N 3.08Å; N384-L387 VanDerWaalsContact OD1-CB 3.32Å; N384-L387 WeakPolarHBondContact OD1-CB 3.2Å; N384-L387 PolarHBondContact OD1-N 3.24Å; N384-L387 VanDerWaalsContact OD1-N 3.08Å; N384-W388 WeakPolarHBondContact O-CB 3.31Å; N384-W388 PolarHBondContact O-N 2.93Å
385P97.1Very high93.4Very high7 Ų757.3 Ų57.35%0.04531%0.306CS..Hα-helixtrans-58.5-38.6-172.6-30.438000113.3F381 W388 L389 L409 E412 I413F381-P385 HydrophobicContact CD2-CB 4.45Å; F381-P385 HydrophobicContact CE1-CB 4.47Å; F381-P385 HydrophobicContact CE2-CB 3.91Å; F381-P385 HydrophobicContact CZ-CB 3.92Å; F381-P385 HydrophobicContact CZ-CG 4.49Å; F381-P385 WeakPolarHBondContact O-CA 3.47Å; F381-P385 VanDerWaalsContact O-CD 3.3Å; F381-P385 WeakPolarHBondContact O-CD 3.18Å; F381-P385 WeakPolarHBondContact O-CG 3.47Å; P385-W388 PolarHBondContact O-N 3.07Å; P385-L389 WeakPolarHBondContact O-CB 3.41Å; P385-L389 WeakPolarHBondContact O-CG 3.35Å; P385-L389 PolarHBondContact O-N 3.47Å; P385-L409 HydrophobicContact CB-CD1 4.07Å; P385-L409 HydrophobicContact CG-CD1 3.96Å; P385-E412 WeakPolarHBondContact CG-OE2 3.37Å; P385-I413 HydrophobicContact CB-CG2 3.59Å
386L96.4Very high93.8Very high36 Ų3662.1 Ų62.119%0.18832%0.317CS..Hα-helixtrans-68.5-45.6-177.1-173.962.5000112.3N384 R390 T415 F416N384-L386 VanDerWaalsContact C-N 3.27Å; N384-L386 PolarHBondContact O-N 3.05Å; L386-R390 WeakPolarHBondContact O-CG 3.39Å; L386-R390 PolarHBondContact O-N 2.86Å; L386-R390 VanDerWaalsContact O-N 3.16Å; L386-T415 VanDerWaalsContact CD1-OG1 3.28Å; L386-T415 WeakPolarHBondContact CD1-OG1 3Å; L386-T415 WeakPolarHBondContact CD2-OG1 3.39Å; L386-F416 HydrophobicContact CD1-CB 3.7Å
387L96.3Very high93.8Very high101 Ų10165.5 Ų65.553%0.52935%0.346SS..Hα-helixtrans-64.7-43.5176.4178.462000110.8N384 R390 T391N384-L387 HydrophobicContact CB-CB 4.13Å; N384-L387 VanDerWaalsContact CG-CB 3.44Å; N384-L387 PolarHBondContact O-N 3.08Å; N384-L387 VanDerWaalsContact OD1-CB 3.32Å; N384-L387 WeakPolarHBondContact OD1-CB 3.2Å; N384-L387 PolarHBondContact OD1-N 3.24Å; N384-L387 VanDerWaalsContact OD1-N 3.08Å; L387-R390 PolarHBondContact O-N 3Å; L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 PolarHBondContact O-N 3.32Å; L387-T391 PolarHBondContact O-OG1 3.04Å
388W96.7Very high93.6Very high36 Ų3666.2 Ų66.214%0.13635%0.354CS..Hα-helixtrans-60.4-48.2179-169.999.1000111F340 L363 E377 F381 N384 P385 R390 T391 A392 F393F340-W388 HydrophobicContact CE1-CH2 4.2Å; F340-W388 AromaticContact CE1-CZ3 3.96Å; F340-W388 HydrophobicContact CE1-CZ3 3.96Å; F340-W388 AromaticContact CZ-CH2 3.92Å; F340-W388 HydrophobicContact CZ-CH2 3.92Å; F340-W388 HydrophobicContact CZ-CZ3 4.1Å; L363-W388 HydrophobicContact CD2-CH2 4.21Å; L363-W388 HydrophobicContact CD2-CZ2 4.46Å; E377-W388 HydrophobicContact CG-CZ2 3.73Å; E377-W388 WeakPolarHBondContact OE1-CZ2 3.44Å; F381-W388 HydrophobicContact CB-CD2 4.14Å; F381-W388 HydrophobicContact CB-CG 4.17Å; F381-W388 HydrophobicContact CD2-CB 4.28Å; F381-W388 AromaticContact CD2-CD2 3.82Å; F381-W388 HydrophobicContact CD2-CD2 3.82Å; F381-W388 AromaticContact CD2-CE3 3.55Å; F381-W388 HydrophobicContact CD2-CE3 3.55Å; F381-W388 HydrophobicContact CD2-CG 4.14Å; F381-W388 HydrophobicContact CD2-CZ3 4.18Å; F381-W388 HydrophobicContact CE2-CE3 4.23Å; F381-W388 HydrophobicContact CG-CD2 4.49Å; N384-W388 WeakPolarHBondContact O-CB 3.31Å; N384-W388 PolarHBondContact O-N 2.93Å; P385-W388 PolarHBondContact O-N 3.07Å; W388-R390 PolarHBondContact O-N 3.38Å; W388-T391 PolarHBondContact O-N 3.09Å; W388-T391 VanDerWaalsContact O-N 3.13Å; W388-A392 HydrophobicContact CD2-CB 4.29Å; W388-A392 HydrophobicContact CE3-CB 3.81Å; W388-A392 HydrophobicContact CH2-CB 3.83Å; W388-A392 HydrophobicContact CZ2-CB 4.29Å; W388-A392 HydrophobicContact CZ3-CB 3.56Å; W388-A392 VanDerWaalsContact O-CB 3.31Å; W388-A392 WeakPolarHBondContact O-CB 3.45Å; W388-A392 PolarHBondContact O-N 2.92Å; W388-F393 HydrophobicContact CZ3-CE2 4.39Å
389L96.6Very high93.7Very high0 Ų066.5 Ų66.50%036%0.355CS..Hα-helixtrans-60.9-42179-75.1170.1000112.7L342 F381 P385 T391 F393 I413 F416L342-L389 HydrophobicContact CD1-CD1 4.45Å; L342-L389 HydrophobicContact CD1-CD2 4.12Å; L342-L389 HydrophobicContact CD2-CD2 4.12Å; F381-L389 HydrophobicContact CE2-CD1 4.32Å; F381-L389 HydrophobicContact CE2-CD2 4.19Å; F381-L389 HydrophobicContact CE2-CG 4.01Å; P385-L389 WeakPolarHBondContact O-CB 3.41Å; P385-L389 WeakPolarHBondContact O-CG 3.35Å; P385-L389 PolarHBondContact O-N 3.47Å; L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 PolarHBondContact O-N 2.88Å; L389-F393 HydrophobicContact CD2-CD2 4.13Å; L389-F393 HydrophobicContact CD2-CE2 3.94Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 WeakPolarHBondContact O-CD2 3.44Å; L389-F393 PolarHBondContact O-N 3.04Å; L389-I413 HydrophobicContact CD1-CB 3.91Å; L389-I413 HydrophobicContact CD1-CD1 4.41Å; L389-I413 HydrophobicContact CD1-CG2 3.57Å; L389-F416 HydrophobicContact CB-CD1 4.44Å; L389-F416 HydrophobicContact CB-CD2 3.82Å; L389-F416 HydrophobicContact CB-CE1 4.41Å; L389-F416 HydrophobicContact CB-CE2 3.78Å; L389-F416 HydrophobicContact CB-CG 4.16Å; L389-F416 HydrophobicContact CB-CZ 4.07Å; L389-F416 HydrophobicContact CD1-CB 4.42Å; L389-F416 HydrophobicContact CD1-CD1 3.87Å; L389-F416 HydrophobicContact CD1-CE1 4.23Å; L389-F416 HydrophobicContact CD1-CG 4.04Å; L389-F416 HydrophobicContact CD2-CE1 4.32Å; L389-F416 HydrophobicContact CD2-CZ 4.39Å
390R94.9Very high93.8Very high144 Ų14464.8 Ų64.854%0.54334%0.341SS..Hα-helixtrans-65.1-34.3176.7-71.7174.2-178.4178.51.5112.5L386 L387 W388L386-R390 WeakPolarHBondContact O-CG 3.39Å; L386-R390 PolarHBondContact O-N 2.86Å; L386-R390 VanDerWaalsContact O-N 3.16Å; L387-R390 PolarHBondContact O-N 3Å; W388-R390 PolarHBondContact O-N 3.38Å
391T94.6Very high93.9Very high100 Ų10061.9 Ų61.961%0.61333%0.33SS*.Hα-helixtrans-77.7-41179.6-52.20000111.3L387 W388 L389L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 PolarHBondContact O-N 3.32Å; L387-T391 PolarHBondContact O-OG1 3.04Å; W388-T391 PolarHBondContact O-N 3.09Å; W388-T391 VanDerWaalsContact O-N 3.13Å; L389-T391 VanDerWaalsContact C-N 3.29Å; L389-T391 PolarHBondContact O-N 2.88Å
392A94.1Very high93.9Very high38 Ų3862.3 Ų62.331%0.31433%0.332SS..Hα-helixtrans-70.6-31.2178.900000112.5W388 P394W388-A392 HydrophobicContact CD2-CB 4.29Å; W388-A392 HydrophobicContact CE3-CB 3.81Å; W388-A392 HydrophobicContact CH2-CB 3.83Å; W388-A392 HydrophobicContact CZ2-CB 4.29Å; W388-A392 HydrophobicContact CZ3-CB 3.56Å; W388-A392 VanDerWaalsContact O-CB 3.31Å; W388-A392 WeakPolarHBondContact O-CB 3.45Å; W388-A392 PolarHBondContact O-N 2.92Å; A392-P394 VanDerWaalsContact C-CD 3.44Å; A392-P394 WeakPolarHBondContact O-CD 3.08Å
393F94.8Very high94Very high26 Ų2660.6 Ų60.611%0.11433%0.325CS..  trans-123.769.7-178.7-56.1-70000112.2F340 W388 L389 Y395 S398 L399 F416F340-F393 AromaticContact CD1-CE2 3.98Å; F340-F393 HydrophobicContact CD1-CE2 3.98Å; F340-F393 AromaticContact CD1-CZ 3.71Å; F340-F393 HydrophobicContact CD1-CZ 3.71Å; F340-F393 AromaticContact CE1-CE2 3.8Å; F340-F393 HydrophobicContact CE1-CE2 3.8Å; F340-F393 AromaticContact CE1-CZ 3.74Å; F340-F393 HydrophobicContact CE1-CZ 3.74Å; W388-F393 HydrophobicContact CZ3-CE2 4.39Å; L389-F393 HydrophobicContact CD2-CD2 4.13Å; L389-F393 HydrophobicContact CD2-CE2 3.94Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 WeakPolarHBondContact O-CD2 3.44Å; L389-F393 PolarHBondContact O-N 3.04Å; F393-Y395 VanDerWaalsContact C-N 3.25Å; F393-Y395 PolarHBondContact O-N 2.96Å; F393-S398 WeakPolarHBondContact CA-OG 3.42Å; F393-S398 WeakPolarHBondContact CD1-O 3.08Å; F393-S398 VanDerWaalsContact CE1-O 3.31Å; F393-S398 WeakPolarHBondContact CE1-O 3.24Å; F393-L399 HydrophobicContact CB-CD2 3.63Å; F393-L399 HydrophobicContact CB-CG 4.38Å; F393-L399 HydrophobicContact CD1-CD2 4.43Å; F393-L399 HydrophobicContact CD2-CD2 4.43Å; F393-L399 HydrophobicContact CG-CD2 3.93Å; F393-F416 HydrophobicContact CD2-CZ 4.16Å
394P90.6Very high94.2Very high84 Ų8455.9 Ų55.955%0.54529%0.292SS..  trans-71.1-21.1-178.628.1-33.2000112.9A392A392-P394 VanDerWaalsContact C-CD 3.44Å; A392-P394 WeakPolarHBondContact O-CD 3.08Å
395Y90.9Very high94.3Very high169 Ų16952.3 Ų52.366%0.66327%0.273SS*.SBendtrans-123.1143.8-177.3-51.9-70.5000111.6F393 S397 S398F393-Y395 VanDerWaalsContact C-N 3.25Å; F393-Y395 PolarHBondContact O-N 2.96Å; Y395-S397 PolarHBondContact O-N 3.34Å; Y395-S397 VanDerWaalsContact O-N 3.15Å; Y395-S398 PolarHBondContact O-N 2.84Å; Y395-S398 PolarHBondContact O-OG 3.19Å
396K86.4Confident94.3Very high149 Ų14952.2 Ų52.265%0.64827%0.272SS*.G310 helixtrans-58.7-28.5177-70.2-170.1175.1-171.90113.9S398 L399K396-S398 VanDerWaalsContact C-N 3.26Å; K396-S398 PolarHBondContact O-N 3.43Å; K396-L399 HydrophobicContact CB-CD1 4.42Å; K396-L399 HydrophobicContact CG-CD1 4.44Å; K396-L399 PolarHBondContact O-N 3.33Å
397S86.8Confident94.4Very high113 Ų11352.9 Ų52.979%0.7928%0.276SS*.G310 helixtrans-69.6-22.1176.552.20000113.6Y395Y395-S397 PolarHBondContact O-N 3.34Å; Y395-S397 VanDerWaalsContact O-N 3.15Å
398S88.9Confident94.4Very high44 Ų4451 Ų5131%0.30827%0.269SS..G310 helixtrans-85.6-11.9178.567.10000113.5F393 Y395 K396F393-S398 WeakPolarHBondContact CA-OG 3.42Å; F393-S398 WeakPolarHBondContact CD1-O 3.08Å; F393-S398 VanDerWaalsContact CE1-O 3.31Å; F393-S398 WeakPolarHBondContact CE1-O 3.24Å; Y395-S398 PolarHBondContact O-N 2.84Å; Y395-S398 PolarHBondContact O-OG 3.19Å; K396-S398 VanDerWaalsContact C-N 3.26Å; K396-S398 PolarHBondContact O-N 3.43Å
399L93.6Very high94.4Very high8 Ų849.6 Ų49.64%0.04226%0.264CS..SBendtrans-71.6136.3-175.5-71.1167.5000111.7F393 K396 F416 N420 F422 R447F393-L399 HydrophobicContact CB-CD2 3.63Å; F393-L399 HydrophobicContact CB-CG 4.38Å; F393-L399 HydrophobicContact CD1-CD2 4.43Å; F393-L399 HydrophobicContact CD2-CD2 4.43Å; F393-L399 HydrophobicContact CG-CD2 3.93Å; K396-L399 HydrophobicContact CB-CD1 4.42Å; K396-L399 HydrophobicContact CG-CD1 4.44Å; K396-L399 PolarHBondContact O-N 3.33Å; L399-F416 HydrophobicContact CD2-CE1 4.34Å; L399-F416 HydrophobicContact CD2-CE2 4.27Å; L399-F416 HydrophobicContact CD2-CZ 3.53Å; L399-N420 HydrophobicContact CD1-CB 4Å; L399-N420 WeakPolarHBondContact CD1-OD1 3.43Å; L399-F422 HydrophobicContact CD2-CE2 4.5Å; L399-R447 PolarHBondContact O-NH2 3.36Å; L399-R447 VanDerWaalsContact O-NH2 3.09Å
400P95.3Very high94.4Very high2 Ų252.3 Ų52.31%0.01328%0.276CS..  trans-62160.1171.728.6-34.4000110.7D338 F340 L403 F422 R447D338-P400 VanDerWaalsContact O-CB 3.31Å; D338-P400 WeakPolarHBondContact O-CB 3.43Å; F340-P400 HydrophobicContact CB-CB 3.96Å; F340-P400 HydrophobicContact CB-CG 3.91Å; P400-L403 HydrophobicContact CB-CD2 4.46Å; P400-L403 HydrophobicContact CG-CD2 3.45Å; P400-L403 VanDerWaalsContact CG-CD2 3.45Å; P400-L403 HydrophobicContact CG-CG 4.29Å; P400-F422 HydrophobicContact CG-CZ 4.44Å; P400-R447 PolarHBondContact O-NE 3.18Å; P400-R447 VanDerWaalsContact O-NE 3.08Å
401T94.7Very high94.4Very high32 Ų3254.1 Ų54.120%0.19629%0.288CS..SBendtrans-81.3-31.5172.863.50000111S337 D338 E446 R447S337-T401 WeakPolarHBondContact CA-OG1 3.3Å; D338-T401 PolarHBondContact N-OG1 2.99Å; D338-T401 PolarHBondContact O-N 3.38Å; D338-T401 PolarHBondContact O-OG1 3.29Å; T401-E446 WeakPolarHBondContact O-CA 3.45Å; T401-R447 PolarHBondContact O-N 3.4Å
402H96.4Very high94.5Very high9 Ų954.5 Ų54.54%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-128.6141.8179.8-6469.6000112.3D338 I339 F340 Y445D338-H402 PolarHBondContact O-N 2.91Å; I339-H402 HydrophobicContact CB-CB 4.48Å; I339-H402 HydrophobicContact CG1-CB 4.07Å; I339-H402 HydrophobicContact CG2-CB 4.41Å; F340-H402 PolarHBondContact N-O 3.23Å; H402-Y445 CarbonylContact C-O 3.57Å; H402-Y445 WeakPolarHBondContact CA-O 3.5Å
403L97.9Very high94.6Very high1 Ų152.7 Ų52.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-117.2135169.3-62.8175.7000109.9F340 L342 P400 L405 F416 L417 F422 I444 Y445F340-L403 HydrophobicContact CB-CD2 3.99Å; F340-L403 HydrophobicContact CD1-CD2 4.21Å; F340-L403 WeakPolarHBondContact O-CA 3.37Å; L342-L403 HydrophobicContact CD1-CD1 4.26Å; L342-L403 HydrophobicContact CD1-CD2 3.99Å; L342-L403 HydrophobicContact CG-CD2 4.33Å; P400-L403 HydrophobicContact CB-CD2 4.46Å; P400-L403 HydrophobicContact CG-CD2 3.45Å; P400-L403 VanDerWaalsContact CG-CD2 3.45Å; P400-L403 HydrophobicContact CG-CG 4.29Å; L403-L405 HydrophobicContact CB-CD2 4.17Å; L403-F416 HydrophobicContact CD1-CE1 4.37Å; L403-L417 HydrophobicContact CD1-CD2 3.62Å; L403-F422 HydrophobicContact CD1-CD1 4.01Å; L403-F422 HydrophobicContact CD1-CD2 4.11Å; L403-F422 HydrophobicContact CD1-CE1 3.8Å; L403-F422 HydrophobicContact CD1-CE2 3.92Å; L403-F422 HydrophobicContact CD1-CG 4.15Å; L403-F422 HydrophobicContact CD1-CZ 3.76Å; L403-F422 HydrophobicContact CG-CD1 4.16Å; L403-F422 HydrophobicContact CG-CE1 3.68Å; L403-F422 HydrophobicContact CG-CZ 3.92Å; L403-I444 WeakPolarHBondContact O-CA 3.43Å; L403-Y445 PolarHBondContact N-O 3.02Å; L403-Y445 PolarHBondContact O-N 3.2Å
404V98.3Very high94.7Very high0 Ų053.5 Ų53.50%028%0.277CS..EExtended strand (participates in β ladder)trans-119.6122.7174.1-177.10000108.4V318 L322 I339 F340 F341 L342 M343 I442 F443 I444V318-V404 HydrophobicContact CG1-CG1 3.77Å; V318-V404 HydrophobicContact CG1-CG2 4.45Å; L322-V404 HydrophobicContact CD1-CG2 4.46Å; I339-V404 HydrophobicContact CG2-CG2 4.02Å; F340-V404 PolarHBondContact O-N 3.2Å; F341-V404 CarbonylContact C-O 3.5Å; F341-V404 WeakPolarHBondContact CA-O 3.46Å; F341-V404 HydrophobicContact CD1-CB 3.61Å; F341-V404 HydrophobicContact CD1-CG1 3.73Å; F341-V404 HydrophobicContact CD1-CG2 4.07Å; F341-V404 HydrophobicContact CE1-CB 3.91Å; F341-V404 HydrophobicContact CE1-CG1 3.9Å; F341-V404 HydrophobicContact CE1-CG2 3.89Å; F341-V404 HydrophobicContact CG-CB 4.34Å; F341-V404 HydrophobicContact CZ-CG2 4.49Å; L342-V404 PolarHBondContact N-O 3.12Å; M343-V404 HydrophobicContact SD-CG1 3.76Å; V404-I442 HydrophobicContact CG1-CG2 3.58Å; V404-F443 WeakPolarHBondContact CA-O 3.49Å; V404-I444 HydrophobicContact CG2-CG1 4.46Å
405L98.3Very high95Very high0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-146156.9-178.654.7141.5000112.6L342 L403 L409 E410 I413 I442 F443 Y445L342-L405 HydrophobicContact CB-CB 4.17Å; L403-L405 HydrophobicContact CB-CD2 4.17Å; L405-L409 HydrophobicContact CB-CD2 3.94Å; L405-L409 HydrophobicContact CD1-CB 3.95Å; L405-L409 HydrophobicContact CD1-CD2 4.22Å; L405-L409 HydrophobicContact CD1-CG 4.2Å; L405-E410 HydrophobicContact CD1-CB 4.36Å; L405-I413 HydrophobicContact CD1-CD1 3.95Å; L405-I413 HydrophobicContact CD2-CD1 4.26Å; L405-I442 CarbonylContact O-C 3.57Å; L405-I442 WeakPolarHBondContact O-CA 3.36Å; L405-F443 PolarHBondContact N-O 3.19Å; L405-F443 VanDerWaalsContact N-O 3.07Å; L405-F443 PolarHBondContact O-N 3.14Å; L405-Y445 HydrophobicContact CD2-CD2 3.74Å; L405-Y445 HydrophobicContact CD2-CE2 3.94Å; L405-Y445 HydrophobicContact CG-CE2 4.45Å
406F98.3Very high95.3Very high4 Ų444.8 Ų44.82%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-70.6147.4165.2-74-62.6000111.1T315 M343 P344 V408 L409 H430 R437 V438 S441 I442T315-F406 HydrophobicContact CG2-CZ 4.41Å; M343-F406 HydrophobicContact CB-CD2 4.38Å; M343-F406 HydrophobicContact CB-CE2 4.35Å; M343-F406 HydrophobicContact CE-CD1 4.08Å; M343-F406 HydrophobicContact CE-CD2 3.76Å; M343-F406 HydrophobicContact CE-CE1 3.64Å; M343-F406 HydrophobicContact CE-CE2 3.3Å; M343-F406 HydrophobicContact CE-CG 4.13Å; M343-F406 HydrophobicContact CE-CZ 3.22Å; M343-F406 HydrophobicContact CG-CD2 4.38Å; P344-F406 HydrophobicContact CG-CE2 4.44Å; F406-V408 HydrophobicContact CB-CG2 3.95Å; F406-V408 PolarHBondContact O-N 3.37Å; F406-V408 VanDerWaalsContact O-N 3.14Å; F406-L409 PolarHBondContact O-N 3.16Å; F406-H430 HydrophobicContact CE1-CB 4.3Å; F406-H430 AromaticContact CE1-CD2 3.41Å; F406-H430 VanDerWaalsContact CE1-CD2 3.41Å; F406-H430 WeakPolarHBondContact CE1-CD2 3.33Å; F406-H430 AromaticContact CE1-CG 3.7Å; F406-H430 AromaticContact CE1-NE2 3.7Å; F406-H430 AromaticContact CZ-NE2 3.81Å; F406-R437 WeakPolarHBondContact CD2-O 3.44Å; F406-V438 HydrophobicContact CE1-CG1 4.06Å; F406-V438 HydrophobicContact CE2-CB 4.31Å; F406-V438 HydrophobicContact CE2-CG1 4.12Å; F406-V438 HydrophobicContact CE2-CG2 4.11Å; F406-V438 HydrophobicContact CZ-CB 4.47Å; F406-V438 HydrophobicContact CZ-CG1 3.78Å; F406-S441 WeakPolarHBondContact CA-O 3.4Å; F406-I442 HydrophobicContact CD1-CD1 4.36Å; F406-I442 HydrophobicContact CD1-CG1 3.51Å; F406-I442 HydrophobicContact CE1-CD1 3.76Å; F406-I442 HydrophobicContact CE1-CG1 3.42Å; F406-I442 VanDerWaalsContact CE1-CG1 3.42Å; F406-I442 HydrophobicContact CZ-CD1 4.43Å; F406-I442 HydrophobicContact CZ-CG1 4.4Å
407D97.3Very high95.8Very high50 Ų5038 Ų3827%0.26721%0.21SC..Hα-helixtrans-54.5-32.7-17963.3-48.4000113.7L409 E410 G439 G440 S441 F443D407-L409 PolarHBondContact O-N 3Å; D407-L409 VanDerWaalsContact O-N 3.16Å; D407-E410 WeakPolarHBondContact O-CB 3.32Å; D407-E410 PolarHBondContact O-N 3.49Å; D407-E410 VanDerWaalsContact O-N 3.14Å; D407-G439 WeakPolarHBondContact OD1-CA 3.28Å; D407-G440 PolarHBondContact OD1-N 3.03Å; D407-S441 PolarHBondContact N-O 3.03Å; D407-S441 PolarHBondContact OD1-N 3.39Å; D407-S441 VanDerWaalsContact OD1-N 3.12Å; D407-S441 VanDerWaalsContact OD1-O 3.06Å; D407-F443 HydrophobicContact CB-CD2 4.2Å; D407-F443 HydrophobicContact CB-CE1 3.93Å; D407-F443 HydrophobicContact CB-CE2 3.47Å; D407-F443 VanDerWaalsContact CB-CE2 3.47Å; D407-F443 HydrophobicContact CB-CZ 3.31Å
408V96.7Very high96.2Very high63 Ų6339.7 Ų39.738%0.38221%0.205SC..Hα-helixtrans-58.5-28177.6-640000113.8F406F406-V408 HydrophobicContact CB-CG2 3.95Å; F406-V408 PolarHBondContact O-N 3.37Å; F406-V408 VanDerWaalsContact O-N 3.14Å
409L97.3Very high96.5Very high6 Ų641 Ų413%0.03122%0.218CC..Hα-helixtrans-83.5-20.8-178.7-178.965.8000112.9L342 F381 P385 L405 F406 D407 K411 E412 I413L342-L409 HydrophobicContact CB-CD2 3.79Å; L342-L409 WeakPolarHBondContact O-CD2 3.33Å; F381-L409 HydrophobicContact CE1-CD1 4.2Å; F381-L409 HydrophobicContact CE1-CD2 3.93Å; F381-L409 HydrophobicContact CZ-CD1 4.13Å; F381-L409 HydrophobicContact CZ-CD2 3.72Å; P385-L409 HydrophobicContact CB-CD1 4.07Å; P385-L409 HydrophobicContact CG-CD1 3.96Å; L405-L409 HydrophobicContact CB-CD2 3.94Å; L405-L409 HydrophobicContact CD1-CB 3.95Å; L405-L409 HydrophobicContact CD1-CD2 4.22Å; L405-L409 HydrophobicContact CD1-CG 4.2Å; F406-L409 PolarHBondContact O-N 3.16Å; D407-L409 PolarHBondContact O-N 3Å; D407-L409 VanDerWaalsContact O-N 3.16Å; L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.08Å; L409-E412 HydrophobicContact CD1-CB 4.42Å; L409-E412 PolarHBondContact O-N 3.23Å; L409-E412 VanDerWaalsContact O-N 3.12Å; L409-I413 HydrophobicContact CD1-CG2 4.08Å; L409-I413 HydrophobicContact CD2-CD1 4.19Å; L409-I413 HydrophobicContact CG-CD1 4.19Å; L409-I413 HydrophobicContact CG-CG1 4.36Å; L409-I413 HydrophobicContact CG-CG2 4.25Å; L409-I413 PolarHBondContact O-N 2.88Å
410E96.3Very high96.6Very high57 Ų5742 Ų4227%0.26622%0.224SC..Hα-helixtrans-54-45.2-170.3-178.8-175.6-153.300112.2L405 D407 E412 I413 S414 R424 F443 Y445L405-E410 HydrophobicContact CD1-CB 4.36Å; D407-E410 WeakPolarHBondContact O-CB 3.32Å; D407-E410 PolarHBondContact O-N 3.49Å; D407-E410 VanDerWaalsContact O-N 3.14Å; E410-E412 VanDerWaalsContact C-N 3.32Å; E410-E412 PolarHBondContact O-N 2.93Å; E410-I413 PolarHBondContact O-N 3.05Å; E410-S414 WeakPolarHBondContact O-CA 3.21Å; E410-S414 WeakPolarHBondContact O-CB 3.41Å; E410-S414 PolarHBondContact O-N 3.14Å; E410-R424 IonicContact OE1-NH1 2.98Å; E410-R424 PolarHBondContact OE1-NH1 2.86Å; E410-R424 IonicContact OE2-NH1 3.47Å; E410-F443 HydrophobicContact CB-CD2 4.25Å; E410-F443 HydrophobicContact CB-CE2 4.15Å; E410-F443 HydrophobicContact CG-CD2 4.47Å; E410-F443 HydrophobicContact CG-CE2 4.41Å; E410-F443 VanDerWaalsContact OE2-CE2 3.25Å; E410-F443 WeakPolarHBondContact OE2-CE2 3.4Å; E410-Y445 VanDerWaalsContact CD-OH 3.23Å; E410-Y445 WeakPolarHBondContact CG-OH 3.41Å; E410-Y445 PolarHBondContact OE1-OH 3.33Å
411K94.9Very high96.6Very high181 Ų18146.4 Ų46.479%0.78725%0.248SC*.Hα-helixtrans-61.2-41.1-176.8-68.7-176.8-179.21760112.1L409 I413 S414L409-K411 VanDerWaalsContact C-N 3.3Å; L409-K411 PolarHBondContact O-N 3.08Å; K411-I413 VanDerWaalsContact C-N 3.35Å; K411-I413 PolarHBondContact O-N 3.16Å; K411-S414 PolarHBondContact O-OG 3.32Å
412E96.1Very high96.7Very high109 Ų10945.5 Ų45.551%0.50924%0.241SC..Hα-helixtrans-70.4-30.4-175.6-64.2-176.6-150.900112.8P385 L409 E410P385-E412 WeakPolarHBondContact CG-OE2 3.37Å; L409-E412 HydrophobicContact CD1-CB 4.42Å; L409-E412 PolarHBondContact O-N 3.23Å; L409-E412 VanDerWaalsContact O-N 3.12Å; E410-E412 VanDerWaalsContact C-N 3.32Å; E410-E412 PolarHBondContact O-N 2.93Å
413I97.1Very high96.7Very high0 Ų047.9 Ų47.90%026%0.256CS..Hα-helixtrans-109.13.6-177.169.4168.9000113.7L342 P385 L389 L405 L409 E410 K411 T415 F416 L417L342-I413 HydrophobicContact CD1-CD1 3.96Å; P385-I413 HydrophobicContact CB-CG2 3.59Å; L389-I413 HydrophobicContact CD1-CB 3.91Å; L389-I413 HydrophobicContact CD1-CD1 4.41Å; L389-I413 HydrophobicContact CD1-CG2 3.57Å; L405-I413 HydrophobicContact CD1-CD1 3.95Å; L405-I413 HydrophobicContact CD2-CD1 4.26Å; L409-I413 HydrophobicContact CD1-CG2 4.08Å; L409-I413 HydrophobicContact CD2-CD1 4.19Å; L409-I413 HydrophobicContact CG-CD1 4.19Å; L409-I413 HydrophobicContact CG-CG1 4.36Å; L409-I413 HydrophobicContact CG-CG2 4.25Å; L409-I413 PolarHBondContact O-N 2.88Å; E410-I413 PolarHBondContact O-N 3.05Å; K411-I413 VanDerWaalsContact C-N 3.35Å; K411-I413 PolarHBondContact O-N 3.16Å; I413-T415 VanDerWaalsContact C-N 3.28Å; I413-T415 PolarHBondContact O-N 2.98Å; I413-T415 VanDerWaalsContact O-N 3.16Å; I413-F416 WeakPolarHBondContact O-CA 3.26Å; I413-F416 WeakPolarHBondContact O-CB 3.43Å; I413-F416 PolarHBondContact O-N 2.86Å; I413-L417 HydrophobicContact CD1-CD1 4.2Å; I413-L417 HydrophobicContact CD1-CD2 4.21Å; I413-L417 HydrophobicContact CD1-CG 4.23Å; I413-L417 HydrophobicContact CG1-CD1 3.97Å; I413-L417 HydrophobicContact CG1-CG 4.13Å; I413-L417 PolarHBondContact O-N 2.78Å
414S96.8Very high96.7Very high42 Ų4253.5 Ų53.529%0.29428%0.277SS..Hα-helixtrans-49.4-43.6-176.956.20000114E410 K411 F416 L417 Q418E410-S414 WeakPolarHBondContact O-CA 3.21Å; E410-S414 WeakPolarHBondContact O-CB 3.41Å; E410-S414 PolarHBondContact O-N 3.14Å; K411-S414 PolarHBondContact O-OG 3.32Å; S414-F416 VanDerWaalsContact C-N 3.32Å; S414-F416 PolarHBondContact O-N 2.8Å; S414-L417 PolarHBondContact O-N 2.95Å; S414-Q418 WeakPolarHBondContact O-CG 3.33Å; S414-Q418 PolarHBondContact O-N 3.08Å
415T96.8Very high96.6Very high63 Ų6356.5 Ų56.539%0.38730%0.295SS..Hα-helixtrans-65.3-33.717861.50000112.8L386 I413 A419L386-T415 VanDerWaalsContact CD1-OG1 3.28Å; L386-T415 WeakPolarHBondContact CD1-OG1 3Å; L386-T415 WeakPolarHBondContact CD2-OG1 3.39Å; I413-T415 VanDerWaalsContact C-N 3.28Å; I413-T415 PolarHBondContact O-N 2.98Å; I413-T415 VanDerWaalsContact O-N 3.16Å; T415-A419 WeakPolarHBondContact O-CB 3.33Å; T415-A419 PolarHBondContact O-N 3.23Å
416F96.9Very high96.5Very high8 Ų857.3 Ų57.34%0.03530%0.302CS..Hα-helixtrans-71.3-40.8174.6176.5-90.5000111.5L386 L389 F393 L399 L403 I413 S414 N420 F422L386-F416 HydrophobicContact CD1-CB 3.7Å; L389-F416 HydrophobicContact CB-CD1 4.44Å; L389-F416 HydrophobicContact CB-CD2 3.82Å; L389-F416 HydrophobicContact CB-CE1 4.41Å; L389-F416 HydrophobicContact CB-CE2 3.78Å; L389-F416 HydrophobicContact CB-CG 4.16Å; L389-F416 HydrophobicContact CB-CZ 4.07Å; L389-F416 HydrophobicContact CD1-CB 4.42Å; L389-F416 HydrophobicContact CD1-CD1 3.87Å; L389-F416 HydrophobicContact CD1-CE1 4.23Å; L389-F416 HydrophobicContact CD1-CG 4.04Å; L389-F416 HydrophobicContact CD2-CE1 4.32Å; L389-F416 HydrophobicContact CD2-CZ 4.39Å; F393-F416 HydrophobicContact CD2-CZ 4.16Å; L399-F416 HydrophobicContact CD2-CE1 4.34Å; L399-F416 HydrophobicContact CD2-CE2 4.27Å; L399-F416 HydrophobicContact CD2-CZ 3.53Å; L403-F416 HydrophobicContact CD1-CE1 4.37Å; I413-F416 WeakPolarHBondContact O-CA 3.26Å; I413-F416 WeakPolarHBondContact O-CB 3.43Å; I413-F416 PolarHBondContact O-N 2.86Å; S414-F416 VanDerWaalsContact C-N 3.32Å; S414-F416 PolarHBondContact O-N 2.8Å; F416-N420 WeakPolarHBondContact CD2-ND2 3.42Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.38Å; F416-N420 WeakPolarHBondContact O-CB 3.48Å; F416-N420 PolarHBondContact O-N 3.37Å; F416-N420 PolarHBondContact O-ND2 2.88Å; F416-F422 HydrophobicContact CE1-CE2 4.16Å
417L97.2Very high96.5Very high6 Ų662.5 Ų62.53%0.03133%0.327CS..Hα-helixtrans-60.9-48.6177-63.6173.5000110.9L403 I413 S414 N420 N421 F422 Y445L403-L417 HydrophobicContact CD1-CD2 3.62Å; I413-L417 HydrophobicContact CD1-CD1 4.2Å; I413-L417 HydrophobicContact CD1-CD2 4.21Å; I413-L417 HydrophobicContact CD1-CG 4.23Å; I413-L417 HydrophobicContact CG1-CD1 3.97Å; I413-L417 HydrophobicContact CG1-CG 4.13Å; I413-L417 PolarHBondContact O-N 2.78Å; S414-L417 PolarHBondContact O-N 2.95Å; L417-N420 PolarHBondContact O-N 2.86Å; L417-N421 PolarHBondContact O-N 3.12Å; L417-F422 HydrophobicContact CB-CB 4.13Å; L417-F422 HydrophobicContact CD2-CB 3.82Å; L417-F422 HydrophobicContact CD2-CD2 4.26Å; L417-F422 HydrophobicContact CD2-CG 4.1Å; L417-F422 PolarHBondContact O-N 2.82Å; L417-Y445 HydrophobicContact CD1-CD1 4.24Å; L417-Y445 HydrophobicContact CD1-CE1 3.78Å; L417-Y445 HydrophobicContact CD1-CE2 4.18Å; L417-Y445 HydrophobicContact CD2-CD1 4.27Å; L417-Y445 HydrophobicContact CD2-CG 4.29Å
418Q95.8Very high96.5Very high148 Ų14861.3 Ų61.369%0.69232%0.32SS*.Hα-helixtrans-64.6-45.6178.8-70174.81.800112.6S414 N420 N421S414-Q418 WeakPolarHBondContact O-CG 3.33Å; S414-Q418 PolarHBondContact O-N 3.08Å; Q418-N420 PolarHBondContact O-N 2.91Å; Q418-N421 PolarHBondContact O-N 2.81Å
419A94.8Very high96.6Very high71 Ų7161 Ų6159%0.58731%0.314SS*.Hα-helixtrans-63.9-22.5-178.800000113.6T415T415-A419 WeakPolarHBondContact O-CB 3.33Å; T415-A419 PolarHBondContact O-N 3.23Å
420N95.4Very high96.6Very high31 Ų3161 Ų6117%0.16631%0.313CS..THydrogen-bonded Turntrans-112.817.3-176.8-65.8-68.9000113.7L399 F416 L417 Q418 F422 R447L399-N420 HydrophobicContact CD1-CB 4Å; L399-N420 WeakPolarHBondContact CD1-OD1 3.43Å; F416-N420 WeakPolarHBondContact CD2-ND2 3.42Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.38Å; F416-N420 WeakPolarHBondContact O-CB 3.48Å; F416-N420 PolarHBondContact O-N 3.37Å; F416-N420 PolarHBondContact O-ND2 2.88Å; L417-N420 PolarHBondContact O-N 2.86Å; Q418-N420 PolarHBondContact O-N 2.91Å; N420-F422 VanDerWaalsContact C-N 3.29Å; N420-F422 HydrophobicContact CB-CD2 3.78Å; N420-F422 HydrophobicContact CB-CE2 3.8Å; N420-F422 PolarHBondContact O-N 3.27Å; N420-R447 WeakPolarHBondContact O-CG 3.25Å
421N95.3Very high96.6Very high94 Ų9458.4 Ų58.450%0.50330%0.302SS..THydrogen-bonded Turntrans5636.8177.3-58.7-20.9000114.5L417 Q418 H448L417-N421 PolarHBondContact O-N 3.12Å; Q418-N421 PolarHBondContact O-N 2.81Å; N421-H448 WeakPolarHBondContact CB-O 3.46Å; N421-H448 PolarHBondContact ND2-O 3.01Å; N421-H448 PolarHBondContact O-N 3.39Å; N421-H448 VanDerWaalsContact O-N 3.13Å
422F97.1Very high96.7Very high13 Ų1355.4 Ų55.46%0.05729%0.29CS..EExtended strand (participates in β ladder)trans-80.7123.3170.4-77.9-79.5000110.3L399 P400 L403 F416 L417 N420 Y445 E446 R447L399-F422 HydrophobicContact CD2-CE2 4.5Å; P400-F422 HydrophobicContact CG-CZ 4.44Å; L403-F422 HydrophobicContact CD1-CD1 4.01Å; L403-F422 HydrophobicContact CD1-CD2 4.11Å; L403-F422 HydrophobicContact CD1-CE1 3.8Å; L403-F422 HydrophobicContact CD1-CE2 3.92Å; L403-F422 HydrophobicContact CD1-CG 4.15Å; L403-F422 HydrophobicContact CD1-CZ 3.76Å; L403-F422 HydrophobicContact CG-CD1 4.16Å; L403-F422 HydrophobicContact CG-CE1 3.68Å; L403-F422 HydrophobicContact CG-CZ 3.92Å; F416-F422 HydrophobicContact CE1-CE2 4.16Å; L417-F422 HydrophobicContact CB-CB 4.13Å; L417-F422 HydrophobicContact CD2-CB 3.82Å; L417-F422 HydrophobicContact CD2-CD2 4.26Å; L417-F422 HydrophobicContact CD2-CG 4.1Å; L417-F422 PolarHBondContact O-N 2.82Å; N420-F422 VanDerWaalsContact C-N 3.29Å; N420-F422 HydrophobicContact CB-CD2 3.78Å; N420-F422 HydrophobicContact CB-CE2 3.8Å; N420-F422 PolarHBondContact O-N 3.27Å; F422-Y445 HydrophobicContact CB-CD1 4.07Å; F422-Y445 HydrophobicContact CB-CG 4.44Å; F422-E446 CarbonylContact C-O 3.58Å; F422-E446 WeakPolarHBondContact CA-O 3.41Å; F422-R447 HydrophobicContact CD1-CB 3.89Å; F422-R447 HydrophobicContact CE1-CB 3.61Å; F422-R447 HydrophobicContact CE1-CG 4.39Å; F422-R447 HydrophobicContact CZ-CB 4.02Å; F422-R447 HydrophobicContact CZ-CG 4.35Å
423T97.1Very high96.7Very high59 Ų5955.7 Ų55.736%0.36229%0.294SS..EExtended strand (participates in β ladder)trans-110.2139.7175.156.90000109.7T425 Y445 E446 H448T423-T425 PolarHBondContact O-N 3.39Å; T423-Y445 CarbonylContact O-C 3.53Å; T423-Y445 WeakPolarHBondContact O-CA 3.35Å; T423-E446 PolarHBondContact N-O 3.15Å; T423-E446 PolarHBondContact O-N 2.98Å; T423-E446 PolarHBondContact OG1-O 3.35Å; T423-H448 PolarHBondContact OG1-CD2 3.16Å; T423-H448 PolarHBondContact OG1-NE2 3.33Å
424R97.2Very high96.6Very high119 Ų11959 Ų5945%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-75.2118.4177.8-171.3171.266.4-162.79.7109.3E410 F443 Y445E410-R424 IonicContact OE1-NH1 2.98Å; E410-R424 PolarHBondContact OE1-NH1 2.86Å; E410-R424 IonicContact OE2-NH1 3.47Å; R424-F443 HydrophobicContact CG-CB 4.46Å; R424-Y445 HydrophobicContact CB-CD1 4.05Å; R424-Y445 HydrophobicContact CB-CE1 3.66Å; R424-Y445 HydrophobicContact CB-CE2 4.48Å; R424-Y445 HydrophobicContact CG-CE1 4.4Å; R424-Y445 HydrophobicContact CG-CE2 4.36Å
425T95.9Very high96.4Very high62 Ų6264.7 Ų64.738%0.3834%0.338SS..EExtended strand (participates in β ladder)trans-101.5-27.1-178.354.30000112.8T423 I444 E446T423-T425 PolarHBondContact O-N 3.39Å; T425-I444 PolarHBondContact N-O 3.32Å; T425-I444 PolarHBondContact OG1-O 3.13Å; T425-E446 HydrophobicContact CG2-CB 3.58Å
426A97Very high96.2Very high18 Ų1865.2 Ų65.215%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-145.4150.417700000112.9F443 I444A426-F443 WeakPolarHBondContact O-CA 3.48Å; A426-I444 HydrophobicContact CB-CB 4.12Å; A426-I444 HydrophobicContact CB-CD1 4.13Å; A426-I444 HydrophobicContact CB-CG1 4.26Å; A426-I444 PolarHBondContact N-O 2.65Å; A426-I444 PolarHBondContact O-N 3.4Å
427E97.8Very high96Very high113 Ų11370.5 Ų70.553%0.52838%0.375SS..EExtended strand (participates in β ladder)trans-128.3122.8168.7168.2169-171.100108.5S441 F443E427-S441 PolarHBondContact OE1-OG 3.03Å; E427-F443 HydrophobicContact CB-CD1 3.99Å; E427-F443 HydrophobicContact CB-CE1 4.09Å; E427-F443 HydrophobicContact CG-CD1 3.93Å; E427-F443 HydrophobicContact CG-CE1 3.62Å
428I98Very high95.9Very high25 Ų2572 Ų7213%0.12838%0.384CS..EExtended strand (participates in β ladder)trans-123.1122.6-173.4-64.1174000109D317 V318 H321 H430 S441 I442 I444D317-I428 HydrophobicContact CB-CG2 3.64Å; V318-I428 HydrophobicContact CB-CD1 4.24Å; V318-I428 HydrophobicContact CG2-CB 4.26Å; V318-I428 HydrophobicContact CG2-CD1 3.6Å; V318-I428 HydrophobicContact CG2-CG1 4.48Å; V318-I428 HydrophobicContact CG2-CG2 4.3Å; H321-I428 HydrophobicContact CB-CD1 4.4Å; I428-H430 PolarHBondContact O-N 3.42Å; I428-S441 CarbonylContact O-C 3.49Å; I428-S441 VanDerWaalsContact O-CA 3.29Å; I428-S441 WeakPolarHBondContact O-CA 3.48Å; I428-I442 PolarHBondContact N-O 3.19Å; I428-I442 PolarHBondContact O-N 2.95Å; I428-I444 HydrophobicContact CD1-CD1 4.05Å
429F97.9Very high95.9Very high57 Ų5764.9 Ų64.925%0.2535%0.351CS..EExtended strand (participates in β ladder)trans-59.1131.2175.2173.2-94.8000111.7I310 R313 G314 H432I310-F429 HydrophobicContact CG2-CE1 4.02Å; I310-F429 HydrophobicContact CG2-CZ 4.48Å; R313-F429 HydrophobicContact CG-CD1 4.31Å; G314-F429 VanDerWaalsContact CA-O 3.24Å; G314-F429 WeakPolarHBondContact CA-O 3.38Å; G314-F429 PolarHBondContact N-O 3.12Å; F429-H432 AromaticContact CE2-CD2 3.74Å; F429-H432 AromaticContact CE2-NE2 3.75Å; F429-H432 AromaticContact CZ-CD2 3.68Å; F429-H432 AromaticContact CZ-CE1 3.48Å; F429-H432 VanDerWaalsContact CZ-CE1 3.48Å; F429-H432 WeakPolarHBondContact CZ-CE1 3.38Å; F429-H432 AromaticContact CZ-CG 3.84Å; F429-H432 AromaticContact CZ-ND1 3.71Å; F429-H432 AromaticContact CZ-NE2 3.46Å; F429-H432 WeakPolarHBondContact CZ-NE2 3.44Å
430H97.4Very high96Very high4 Ų462.1 Ų62.12%0.01933%0.329CS..  trans-110.6-57.1177.4-177.462000112.9Q312 R313 T315 F406 I428 G439 G440 I442Q312-H430 CarbonylContact C-O 3.56Å; Q312-H430 WeakPolarHBondContact CA-CE1 3.4Å; Q312-H430 WeakPolarHBondContact CA-O 3.29Å; Q312-H430 VanDerWaalsContact CB-CE1 3.47Å; Q312-H430 WeakPolarHBondContact CB-CE1 3.39Å; Q312-H430 PolarHBondContact N-O 2.9Å; Q312-H430 PolarHBondContact O-CE1 3.48Å; Q312-H430 PolarHBondContact O-ND1 3.41Å; R313-H430 PolarHBondContact N-O 3.05Å; T315-H430 VanDerWaalsContact CG2-CE1 3.45Å; T315-H430 WeakPolarHBondContact CG2-CE1 3.34Å; F406-H430 HydrophobicContact CE1-CB 4.3Å; F406-H430 AromaticContact CE1-CD2 3.41Å; F406-H430 VanDerWaalsContact CE1-CD2 3.41Å; F406-H430 WeakPolarHBondContact CE1-CD2 3.33Å; F406-H430 AromaticContact CE1-CG 3.7Å; F406-H430 AromaticContact CE1-NE2 3.7Å; F406-H430 AromaticContact CZ-NE2 3.81Å; I428-H430 PolarHBondContact O-N 3.42Å; H430-G439 PolarHBondContact CD2-O 3.36Å; H430-G440 WeakPolarHBondContact CA-O 3.4Å; H430-G440 WeakPolarHBondContact CB-O 3.47Å; H430-G440 PolarHBondContact N-O 3.27Å; H430-I442 HydrophobicContact CB-CD1 4.28Å; H430-I442 HydrophobicContact CB-CG1 4.2Å
431T97.1Very high96.2Very high4 Ų461.5 Ų61.53%0.02533%0.327CS..  trans-157.1149.9-172.9-177.70000112.1H311 I433 P434 G439 G440H311-T431 PolarHBondContact CE1-OG1 3.12Å; H311-T431 PolarHBondContact ND1-OG1 3.37Å; T431-I433 VanDerWaalsContact C-N 3.3Å; T431-I433 WeakPolarHBondContact CG2-O 3.19Å; T431-I433 PolarHBondContact OG1-N 2.94Å; T431-I433 PolarHBondContact OG1-O 3.39Å; T431-P434 HydrophobicContact CG2-CB 4.48Å; T431-G439 WeakPolarHBondContact CG2-O 3.21Å; T431-G440 PolarHBondContact N-O 3.27Å; T431-G440 VanDerWaalsContact N-O 3.08Å; T431-G440 WeakPolarHBondContact O-CA 3.45Å
432H96.9Very high96.3Very high118 Ų11857 Ų5755%0.54630%0.303SS..SBendtrans-78.8-15.5168.5-55.6108.1000113.2Y306 F429 P434Y306-H432 AromaticContact CE2-ND1 3.58Å; Y306-H432 AromaticContact CZ-ND1 3.76Å; Y306-H432 PolarHBondContact OH-ND1 3.18Å; F429-H432 AromaticContact CE2-CD2 3.74Å; F429-H432 AromaticContact CE2-NE2 3.75Å; F429-H432 AromaticContact CZ-CD2 3.68Å; F429-H432 AromaticContact CZ-CE1 3.48Å; F429-H432 VanDerWaalsContact CZ-CE1 3.48Å; F429-H432 WeakPolarHBondContact CZ-CE1 3.38Å; F429-H432 AromaticContact CZ-CG 3.84Å; F429-H432 AromaticContact CZ-ND1 3.71Å; F429-H432 AromaticContact CZ-NE2 3.46Å; F429-H432 WeakPolarHBondContact CZ-NE2 3.44Å; H432-P434 WeakPolarHBondContact O-CD 3.46Å
433I95.4Very high96.4Very high114 Ų11456.8 Ų56.859%0.58530%0.302SS*.SBendtrans-123.682.4-174.7-49.9174.2000107.3T431T431-I433 VanDerWaalsContact C-N 3.3Å; T431-I433 WeakPolarHBondContact CG2-O 3.19Å; T431-I433 PolarHBondContact OG1-N 2.94Å; T431-I433 PolarHBondContact OG1-O 3.39Å
434P94.7Very high96.4Very high71 Ų7154 Ų5446%0.46129%0.285SS..  trans-73.7152.1173.330.8-34.1000110.9T431 H432 V438T431-P434 HydrophobicContact CG2-CB 4.48Å; H432-P434 WeakPolarHBondContact O-CD 3.46Å; P434-V438 WeakPolarHBondContact CA-O 3.34Å; P434-V438 VanDerWaalsContact CB-O 3.26Å; P434-V438 WeakPolarHBondContact CB-O 3.44Å
435E92.6Very high96.4Very high161 Ų16148.8 Ų48.875%0.75227%0.266SS*.BIsolated β-bridgetrans-146.8124.3-180-172.9176.8-17100111.1R437 V438E435-R437 PolarHBondContact O-N 3Å; E435-V438 PolarHBondContact N-O 2.95Å; E435-V438 WeakPolarHBondContact O-CB 3.48Å; E435-V438 PolarHBondContact O-N 3.24Å
436G92.6Very high96.4Very high73 Ų7349.3 Ų49.375%0.75326%0.264SS*.THydrogen-bonded Turntrans56-112.4176.600000112.7V438G436-V438 VanDerWaalsContact C-N 3.33Å
437R93.8Very high96.3Very high119 Ų11952.1 Ų52.145%0.44927%0.271SS..THydrogen-bonded Turntrans-84.8-4.8-179-60.3173.4-177.5169.31.8113.5P344 Y382 F406 E435P344-R437 HydrophobicContact CG-CB 3.8Å; Y382-R437 HydrophobicContact CD1-CG 4.09Å; Y382-R437 HydrophobicContact CE1-CB 4.23Å; Y382-R437 HydrophobicContact CE1-CG 4.06Å; Y382-R437 HydrophobicContact CG-CG 4.44Å; F406-R437 WeakPolarHBondContact CD2-O 3.44Å; E435-R437 PolarHBondContact O-N 3Å
438V94.9Very high95.5Very high37 Ų3754.2 Ų54.222%0.22428%0.28CS..BIsolated β-bridgetrans-99.6118.3179.2178.80000108.9P344 F406 P434 E435 G436P344-V438 HydrophobicContact CG-CG2 4.33Å; F406-V438 HydrophobicContact CE1-CG1 4.06Å; F406-V438 HydrophobicContact CE2-CB 4.31Å; F406-V438 HydrophobicContact CE2-CG1 4.12Å; F406-V438 HydrophobicContact CE2-CG2 4.11Å; F406-V438 HydrophobicContact CZ-CB 4.47Å; F406-V438 HydrophobicContact CZ-CG1 3.78Å; P434-V438 WeakPolarHBondContact CA-O 3.34Å; P434-V438 VanDerWaalsContact CB-O 3.26Å; P434-V438 WeakPolarHBondContact CB-O 3.44Å; E435-V438 PolarHBondContact N-O 2.95Å; E435-V438 WeakPolarHBondContact O-CB 3.48Å; E435-V438 PolarHBondContact O-N 3.24Å; G436-V438 VanDerWaalsContact C-N 3.33Å
439G95.1Very high95.4Very high0 Ų055.7 Ų55.70%029%0.288CS..  trans-96.1172.1-174.900000114.8D407 H430 T431D407-G439 WeakPolarHBondContact OD1-CA 3.28Å; H430-G439 PolarHBondContact CD2-O 3.36Å; T431-G439 WeakPolarHBondContact CG2-O 3.21Å
440G97.3Very high95.3Very high13 Ų1355.6 Ų55.613%0.13429%0.29CS..SBendtrans-75.3-26.6-179.300000113.1D407 H430 T431D407-G440 PolarHBondContact OD1-N 3.03Å; H430-G440 WeakPolarHBondContact CA-O 3.4Å; H430-G440 WeakPolarHBondContact CB-O 3.47Å; H430-G440 PolarHBondContact N-O 3.27Å; T431-G440 PolarHBondContact N-O 3.27Å; T431-G440 VanDerWaalsContact N-O 3.08Å; T431-G440 WeakPolarHBondContact O-CA 3.45Å
441S98.2Very high95.2Very high17 Ų1758.5 Ų58.512%0.11931%0.305CS..EExtended strand (participates in β ladder)trans-132.2156.3178.6-69.60000110.7F406 D407 E427 I428F406-S441 WeakPolarHBondContact CA-O 3.4Å; D407-S441 PolarHBondContact N-O 3.03Å; D407-S441 PolarHBondContact OD1-N 3.39Å; D407-S441 VanDerWaalsContact OD1-N 3.12Å; D407-S441 VanDerWaalsContact OD1-O 3.06Å; E427-S441 PolarHBondContact OE1-OG 3.03Å; I428-S441 CarbonylContact O-C 3.49Å; I428-S441 VanDerWaalsContact O-CA 3.29Å; I428-S441 WeakPolarHBondContact O-CA 3.48Å
442I98.5Very high95.1Very high0 Ų061.7 Ų61.70%032%0.321CS..EExtended strand (participates in β ladder)trans-110.6128.9169.9-61.4163.8000108G314 T315 V318 M343 V404 L405 F406 I428 H430G314-I442 VanDerWaalsContact C-CD1 3.46Å; T315-I442 HydrophobicContact CG2-CD1 3.97Å; V318-I442 HydrophobicContact CG2-CB 3.81Å; V318-I442 HydrophobicContact CG2-CD1 3.87Å; V318-I442 HydrophobicContact CG2-CG1 4.46Å; V318-I442 HydrophobicContact CG2-CG2 3.5Å; V318-I442 VanDerWaalsContact CG2-CG2 3.5Å; M343-I442 HydrophobicContact CE-CD1 3.77Å; M343-I442 HydrophobicContact CE-CG1 3.95Å; M343-I442 HydrophobicContact CE-CG2 4.4Å; V404-I442 HydrophobicContact CG1-CG2 3.58Å; L405-I442 CarbonylContact O-C 3.57Å; L405-I442 WeakPolarHBondContact O-CA 3.36Å; F406-I442 HydrophobicContact CD1-CD1 4.36Å; F406-I442 HydrophobicContact CD1-CG1 3.51Å; F406-I442 HydrophobicContact CE1-CD1 3.76Å; F406-I442 HydrophobicContact CE1-CG1 3.42Å; F406-I442 VanDerWaalsContact CE1-CG1 3.42Å; F406-I442 HydrophobicContact CZ-CD1 4.43Å; F406-I442 HydrophobicContact CZ-CG1 4.4Å; I428-I442 PolarHBondContact N-O 3.19Å; I428-I442 PolarHBondContact O-N 2.95Å; H430-I442 HydrophobicContact CB-CD1 4.28Å; H430-I442 HydrophobicContact CB-CG1 4.2Å
443F98.4Very high94.9Very high9 Ų958.2 Ų58.24%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-102.2142.7176.5-58.8-23.4000110.7V404 L405 D407 E410 R424 A426 E427 Y445V404-F443 WeakPolarHBondContact CA-O 3.49Å; L405-F443 PolarHBondContact N-O 3.19Å; L405-F443 VanDerWaalsContact N-O 3.07Å; L405-F443 PolarHBondContact O-N 3.14Å; D407-F443 HydrophobicContact CB-CD2 4.2Å; D407-F443 HydrophobicContact CB-CE1 3.93Å; D407-F443 HydrophobicContact CB-CE2 3.47Å; D407-F443 VanDerWaalsContact CB-CE2 3.47Å; D407-F443 HydrophobicContact CB-CZ 3.31Å; E410-F443 HydrophobicContact CB-CD2 4.25Å; E410-F443 HydrophobicContact CB-CE2 4.15Å; E410-F443 HydrophobicContact CG-CD2 4.47Å; E410-F443 HydrophobicContact CG-CE2 4.41Å; E410-F443 VanDerWaalsContact OE2-CE2 3.25Å; E410-F443 WeakPolarHBondContact OE2-CE2 3.4Å; R424-F443 HydrophobicContact CG-CB 4.46Å; A426-F443 WeakPolarHBondContact O-CA 3.48Å; E427-F443 HydrophobicContact CB-CD1 3.99Å; E427-F443 HydrophobicContact CB-CE1 4.09Å; E427-F443 HydrophobicContact CG-CD1 3.93Å; E427-F443 HydrophobicContact CG-CE1 3.62Å; F443-Y445 HydrophobicContact CB-CD2 4.25Å; F443-Y445 HydrophobicContact CB-CE2 3.67Å; F443-Y445 HydrophobicContact CD2-CE2 4.28Å; F443-Y445 HydrophobicContact CG-CE2 4.43Å
444I98.1Very high94.9Very high0 Ų054.5 Ų54.50%029%0.289CS..EExtended strand (participates in β ladder)trans-114.2126170.5-53.2179.9000107.2V318 H321 L403 V404 T425 A426 I428V318-I444 HydrophobicContact CG1-CD1 4.16Å; H321-I444 HydrophobicContact CB-CD1 4.13Å; H321-I444 WeakPolarHBondContact CD2-CD1 3.32Å; L403-I444 WeakPolarHBondContact O-CA 3.43Å; V404-I444 HydrophobicContact CG2-CG1 4.46Å; T425-I444 PolarHBondContact N-O 3.32Å; T425-I444 PolarHBondContact OG1-O 3.13Å; A426-I444 HydrophobicContact CB-CB 4.12Å; A426-I444 HydrophobicContact CB-CD1 4.13Å; A426-I444 HydrophobicContact CB-CG1 4.26Å; A426-I444 PolarHBondContact N-O 2.65Å; A426-I444 PolarHBondContact O-N 3.4Å; I428-I444 HydrophobicContact CD1-CD1 4.05Å
445Y97.8Very high94.9Very high10 Ų1053.3 Ų53.34%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-111.6141.7172.4-70.1-103.4000110.4H402 L403 L405 E410 L417 F422 T423 R424 F443H402-Y445 CarbonylContact C-O 3.57Å; H402-Y445 WeakPolarHBondContact CA-O 3.5Å; L403-Y445 PolarHBondContact N-O 3.02Å; L403-Y445 PolarHBondContact O-N 3.2Å; L405-Y445 HydrophobicContact CD2-CD2 3.74Å; L405-Y445 HydrophobicContact CD2-CE2 3.94Å; L405-Y445 HydrophobicContact CG-CE2 4.45Å; E410-Y445 VanDerWaalsContact CD-OH 3.23Å; E410-Y445 WeakPolarHBondContact CG-OH 3.41Å; E410-Y445 PolarHBondContact OE1-OH 3.33Å; L417-Y445 HydrophobicContact CD1-CD1 4.24Å; L417-Y445 HydrophobicContact CD1-CE1 3.78Å; L417-Y445 HydrophobicContact CD1-CE2 4.18Å; L417-Y445 HydrophobicContact CD2-CD1 4.27Å; L417-Y445 HydrophobicContact CD2-CG 4.29Å; F422-Y445 HydrophobicContact CB-CD1 4.07Å; F422-Y445 HydrophobicContact CB-CG 4.44Å; T423-Y445 CarbonylContact O-C 3.53Å; T423-Y445 WeakPolarHBondContact O-CA 3.35Å; R424-Y445 HydrophobicContact CB-CD1 4.05Å; R424-Y445 HydrophobicContact CB-CE1 3.66Å; R424-Y445 HydrophobicContact CB-CE2 4.48Å; R424-Y445 HydrophobicContact CG-CE1 4.4Å; R424-Y445 HydrophobicContact CG-CE2 4.36Å; F443-Y445 HydrophobicContact CB-CD2 4.25Å; F443-Y445 HydrophobicContact CB-CE2 3.67Å; F443-Y445 HydrophobicContact CD2-CE2 4.28Å; F443-Y445 HydrophobicContact CG-CE2 4.43Å
446E95.9Very high95.1Very high72 Ų7245 Ų4534%0.33624%0.24SC..EExtended strand (participates in β ladder)trans-116.1143.3172.4-174.4176.5-172.400109.7T401 F422 T423 T425T401-E446 WeakPolarHBondContact O-CA 3.45Å; F422-E446 CarbonylContact C-O 3.58Å; F422-E446 WeakPolarHBondContact CA-O 3.41Å; T423-E446 PolarHBondContact N-O 3.15Å; T423-E446 PolarHBondContact O-N 2.98Å; T423-E446 PolarHBondContact OG1-O 3.35Å; T425-E446 HydrophobicContact CG2-CB 3.58Å
447R93.4Very high95.3Very high78 Ų7842.7 Ų42.729%0.29420%0.197SC..EExtended strand (participates in β ladder)trans-92.5129.1178.2-173.2163.663.992.8-8111.2L399 P400 T401 N420 F422L399-R447 PolarHBondContact O-NH2 3.36Å; L399-R447 VanDerWaalsContact O-NH2 3.09Å; P400-R447 PolarHBondContact O-NE 3.18Å; P400-R447 VanDerWaalsContact O-NE 3.08Å; T401-R447 PolarHBondContact O-N 3.4Å; N420-R447 WeakPolarHBondContact O-CG 3.25Å; F422-R447 HydrophobicContact CD1-CB 3.89Å; F422-R447 HydrophobicContact CE1-CB 3.61Å; F422-R447 HydrophobicContact CE1-CG 4.39Å; F422-R447 HydrophobicContact CZ-CB 4.02Å; F422-R447 HydrophobicContact CZ-CG 4.35Å
448H82.4Confident95.5Very high157 Ų15735.7 Ų35.773%0.72717%0.174SC*.  trans-105.20173.9-63.8-54.6000113.9N421 T423N421-H448 WeakPolarHBondContact CB-O 3.46Å; N421-H448 PolarHBondContact ND2-O 3.01Å; N421-H448 PolarHBondContact O-N 3.39Å; N421-H448 VanDerWaalsContact O-N 3.13Å; T423-H448 PolarHBondContact OG1-CD2 3.16Å; T423-H448 PolarHBondContact OG1-NE2 3.33Å

Retrieved 448 of 448 residues in 223.5 ms (Link to these results)

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