A0A096M1P0_POEFO Loading...

Fucosyltransferase

Protein O-fucosyltransferase that specifically catalyzes O-fucosylation of serine or threonine residues in EMI domains of target proteins. Attaches fucose through an O-glycosidic linkage. O-fucosylation of EMI domain-containing proteins may be required for facilitating protein folding and secretion.

AlphaFold DB , UniProt , Accession A0A096M1P0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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
1M58.5Low88.2Confident32 Ų3230.3 Ų30.316%0.15817%0.168CC..  01060-173.6-171.1-4200107.3F21 C135 Y138 C277M1-F21 HydrophobicContact CE-CE1 3.49Å; M1-F21 VanDerWaalsContact CE-CE1 3.49Å; M1-F21 HydrophobicContact CE-CE2 4.29Å; M1-F21 HydrophobicContact CE-CZ 3.35Å; M1-F21 HydrophobicContact SD-CZ 4.36Å; M1-C135 HydrophobicContact CE-CB 3.92Å; M1-C135 WeakPolarHBondContact CE-SG 3.36Å; M1-C135 PolarHBondContact SD-SG 3.33Å; M1-Y138 HydrophobicContact CB-CE1 4.47Å; M1-Y138 HydrophobicContact CB-CE2 4.33Å; M1-Y138 HydrophobicContact CE-CD1 3.86Å; M1-Y138 HydrophobicContact CE-CD2 3.48Å; M1-Y138 VanDerWaalsContact CE-CD2 3.48Å; M1-Y138 HydrophobicContact CE-CE1 4.16Å; M1-Y138 HydrophobicContact CE-CE2 3.79Å; M1-Y138 HydrophobicContact CE-CG 3.51Å; M1-Y138 PolarHBondContact N-OH 3.27Å; M1-C277 WeakPolarHBondContact CE-SG 3.32Å; M1-C277 HydrophobicContact SD-CB 4.03Å; M1-C277 PolarHBondContact SD-SG 3.31Å
2N63.7Low88.8Confident71 Ų7128.1 Ų28.138%0.3816%0.156SC..  trans-126.614.1-169-67.228000111.9H68N2-H68 PolarHBondContact ND2-CE1 3.14Å; N2-H68 PolarHBondContact ND2-NE2 2.94Å
3N84.1Confident89.3Confident93 Ų9336.2 Ų36.250%0.49718%0.183SC..  trans-149.6129.7-178.3-177.8-39.1000107.7V5N3-V5 VanDerWaalsContact OD1-CB 3.26Å; N3-V5 WeakPolarHBondContact OD1-CB 3.44Å; N3-V5 WeakPolarHBondContact OD1-CG2 3.5Å; N3-V5 PolarHBondContact OD1-N 3.13Å
4Y94.5Very high89.6Confident3 Ų337.3 Ų37.31%0.01219%0.189CC..  trans-102.21.4-174.7-70.7-82.7000114L6 S7 H8 P72 C277 P280 W300 Y304 S307Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 3.05Å; Y4-S7 WeakPolarHBondContact O-CA 3.5Å; Y4-S7 VanDerWaalsContact O-CB 3.28Å; Y4-S7 WeakPolarHBondContact O-CB 3.35Å; Y4-S7 PolarHBondContact O-N 3.25Å; Y4-H8 PolarHBondContact O-CD2 3.33Å; Y4-H8 PolarHBondContact O-N 2.93Å; Y4-P72 HydrophobicContact CE2-CB 4.48Å; Y4-P72 HydrophobicContact CE2-CG 4.26Å; Y4-P72 WeakPolarHBondContact OH-CB 3.45Å; Y4-P72 WeakPolarHBondContact OH-CG 3.23Å; Y4-C277 HydrophobicContact CD1-CB 4.2Å; Y4-C277 HydrophobicContact CE1-CB 3.97Å; Y4-P280 HydrophobicContact CE1-CG 4.47Å; Y4-P280 HydrophobicContact CE2-CG 4.04Å; Y4-P280 WeakPolarHBondContact OH-CG 3.49Å; Y4-W300 HydrophobicContact CE2-CE3 4.46Å; Y4-Y304 AromaticContact CD1-CD2 3.41Å; Y4-Y304 HydrophobicContact CD1-CD2 3.41Å; Y4-Y304 VanDerWaalsContact CD1-CD2 3.41Å; Y4-Y304 AromaticContact CD1-CE2 3.58Å; Y4-Y304 HydrophobicContact CD1-CE2 3.58Å; Y4-Y304 AromaticContact CD2-CD2 3.98Å; Y4-Y304 HydrophobicContact CD2-CD2 3.98Å; Y4-Y304 AromaticContact CE1-CD2 3.85Å; Y4-Y304 HydrophobicContact CE1-CD2 3.85Å; Y4-Y304 HydrophobicContact CE1-CE2 4.09Å; Y4-Y304 HydrophobicContact CE2-CD2 4.39Å; Y4-Y304 AromaticContact CG-CD2 3.48Å; Y4-Y304 HydrophobicContact CG-CD2 3.48Å; Y4-Y304 VanDerWaalsContact CG-CD2 3.48Å; Y4-Y304 HydrophobicContact CG-CE2 4.05Å; Y4-Y304 HydrophobicContact CG-CG 4.43Å; Y4-S307 PolarHBondContact N-OG 2.7Å
5V95.5Very high90Very high14 Ų1441.4 Ų41.49%0.08521%0.205CC..G310 helixtrans-53-45.3-176.9170.50000111.1N3 S7 H8 G11 Q310 A311 L314N3-V5 VanDerWaalsContact OD1-CB 3.26Å; N3-V5 WeakPolarHBondContact OD1-CB 3.44Å; N3-V5 WeakPolarHBondContact OD1-CG2 3.5Å; N3-V5 PolarHBondContact OD1-N 3.13Å; V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 2.66Å; V5-H8 PolarHBondContact O-N 3.15Å; V5-G11 WeakPolarHBondContact O-CA 3.41Å; V5-Q310 HydrophobicContact CG2-CB 4.01Å; V5-A311 HydrophobicContact CG1-CB 4.1Å; V5-L314 HydrophobicContact CG1-CD1 3.93Å
6L95.3Very high90.3Very high67 Ų6743.4 Ų43.435%0.35122%0.217SC..G310 helixtrans-81-7.4177.9-58.4-175.1000114Y4 H8 I12 F15 M275Y4-L6 VanDerWaalsContact C-N 3.26Å; Y4-L6 PolarHBondContact O-N 3.05Å; L6-H8 VanDerWaalsContact C-N 3.28Å; L6-I12 HydrophobicContact CB-CD1 4.36Å; L6-I12 WeakPolarHBondContact O-CB 3.44Å; L6-F15 HydrophobicContact CD2-CD2 4.44Å; L6-F15 HydrophobicContact CD2-CE2 3.66Å; L6-F15 HydrophobicContact CD2-CZ 4.49Å; L6-M275 HydrophobicContact CB-CG 4.4Å; L6-M275 WeakPolarHBondContact O-CB 3.41Å
7S95.3Very high90.7Very high2 Ų242.5 Ų42.51%0.01421%0.211CC..G310 helixtrans-81.7-13172-620000112.5Y4 V5 N272 C277Y4-S7 WeakPolarHBondContact O-CA 3.5Å; Y4-S7 VanDerWaalsContact O-CB 3.28Å; Y4-S7 WeakPolarHBondContact O-CB 3.35Å; Y4-S7 PolarHBondContact O-N 3.25Å; V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 2.66Å; S7-N272 PolarHBondContact O-OD1 2.71Å; S7-C277 WeakPolarHBondContact OG-CB 3.47Å
8H96.4Very high91.1Very high13 Ų1340.6 Ų40.66%0.0620%0.202CC..SBendtrans-95.7143.6177-66.3-64.5000111.5Y4 V5 L6 G11 I12 Y304 L308 A311Y4-H8 PolarHBondContact O-CD2 3.33Å; Y4-H8 PolarHBondContact O-N 2.93Å; V5-H8 PolarHBondContact O-N 3.15Å; L6-H8 VanDerWaalsContact C-N 3.28Å; H8-G11 PolarHBondContact O-N 3.14Å; H8-I12 PolarHBondContact O-N 3.49Å; H8-Y304 AromaticContact CE1-CD1 3.9Å; H8-Y304 AromaticContact CE1-CE1 3.41Å; H8-Y304 VanDerWaalsContact CE1-CE1 3.41Å; H8-Y304 WeakPolarHBondContact CE1-CE1 3.36Å; H8-Y304 AromaticContact CE1-CZ 3.48Å; H8-Y304 VanDerWaalsContact CE1-CZ 3.48Å; H8-Y304 PolarHBondContact NE2-O 3.24Å; H8-L308 HydrophobicContact CB-CD1 3.82Å; H8-L308 VanDerWaalsContact CD2-CA 3.48Å; H8-L308 WeakPolarHBondContact CD2-CA 3.4Å; H8-L308 PolarHBondContact CD2-N 3.42Å; H8-L308 PolarHBondContact NE2-N 2.93Å; H8-A311 HydrophobicContact CB-CB 4.22Å
9G95.4Very high91.4Very high13 Ų1339.9 Ų39.913%0.13420%0.203CC..Hα-helixtrans-50.9-50.3-179.500000113.8G11 R13 N272G9-G11 PolarHBondContact O-N 3.23Å; G9-R13 VanDerWaalsContact O-CB 3.23Å; G9-R13 WeakPolarHBondContact O-CB 3.36Å; G9-R13 WeakPolarHBondContact O-CD 3.38Å; G9-R13 WeakPolarHBondContact O-CG 3.36Å; G9-R13 PolarHBondContact O-N 3.07Å; G9-R13 VanDerWaalsContact O-N 3.12Å; G9-N272 WeakPolarHBondContact CA-OD1 3.23Å; G9-N272 PolarHBondContact N-OD1 3.49Å
10P95.8Very high91.6Very high25 Ų2538.7 Ų38.716%0.16220%0.198CC..Hα-helixtrans-56.7-34.8177.1-27.336000113.8L14 L308 A311 E312P10-L14 WeakPolarHBondContact O-CD2 3.36Å; P10-L14 WeakPolarHBondContact O-CG 3.35Å; P10-L308 HydrophobicContact CG-CD1 4.22Å; P10-A311 HydrophobicContact CB-CB 4.11Å; P10-E312 HydrophobicContact CB-CG 3.99Å; P10-E312 HydrophobicContact CG-CG 3.74Å
11G95.6Very high91.8Very high0 Ų038.1 Ų38.10%019%0.194CC..Hα-helixtrans-79.4-47.6-176.200000112.6V5 H8 G9 R13 L14V5-G11 WeakPolarHBondContact O-CA 3.41Å; H8-G11 PolarHBondContact O-N 3.14Å; G9-G11 PolarHBondContact O-N 3.23Å; G11-R13 VanDerWaalsContact C-N 3.31Å; G11-R13 PolarHBondContact O-N 3.35Å; G11-L14 WeakPolarHBondContact O-CB 3.31Å; G11-L14 VanDerWaalsContact O-CG 3.29Å; G11-L14 WeakPolarHBondContact O-CG 3.45Å; G11-L14 PolarHBondContact O-N 3.23Å
12I95.9Very high93.6Very high4 Ų437.7 Ų37.72%0.02119%0.191CC..Hα-helixtrans-68.8-31.9-179.7-161.160000112.1L6 H8 L14 F15 T18 A270 S271 H274 M275L6-I12 HydrophobicContact CB-CD1 4.36Å; L6-I12 WeakPolarHBondContact O-CB 3.44Å; H8-I12 PolarHBondContact O-N 3.49Å; I12-L14 PolarHBondContact O-N 2.93Å; I12-L14 VanDerWaalsContact O-N 3.16Å; I12-F15 PolarHBondContact O-N 3.28Å; I12-F15 VanDerWaalsContact O-N 3.14Å; I12-T18 HydrophobicContact CD1-CG2 3.84Å; I12-T18 HydrophobicContact CG1-CG2 4.24Å; I12-A270 HydrophobicContact CG1-CB 3.95Å; I12-A270 WeakPolarHBondContact O-CB 3.45Å; I12-S271 WeakPolarHBondContact CG2-O 3.24Å; I12-H274 HydrophobicContact CG1-CB 4.31Å; I12-M275 HydrophobicContact CD1-CB 4.37Å; I12-M275 HydrophobicContact CD1-CG 3.61Å; I12-M275 HydrophobicContact CG1-CG 4.29Å
13R94.5Very high95.2Very high133 Ų13336.7 Ų36.750%0.50218%0.182SC..THydrogen-bonded Turntrans-69.8-7.2179.5-74.9172.6-177.6179.62.5114.3G9 G11 F15 A270G9-R13 VanDerWaalsContact O-CB 3.23Å; G9-R13 WeakPolarHBondContact O-CB 3.36Å; G9-R13 WeakPolarHBondContact O-CD 3.38Å; G9-R13 WeakPolarHBondContact O-CG 3.36Å; G9-R13 PolarHBondContact O-N 3.07Å; G9-R13 VanDerWaalsContact O-N 3.12Å; G11-R13 VanDerWaalsContact C-N 3.31Å; G11-R13 PolarHBondContact O-N 3.35Å; R13-F15 PolarHBondContact O-N 3.34Å; R13-A270 VanDerWaalsContact CG-O 3.23Å; R13-A270 WeakPolarHBondContact CG-O 3.36Å
14L93.9Very high95.7Very high52 Ų5236 Ų3627%0.27218%0.175SC..THydrogen-bonded Turntrans-66.8-15.2170.1-56.1-175.5000112.2P10 G11 I12 L314 E315 I318P10-L14 WeakPolarHBondContact O-CD2 3.36Å; P10-L14 WeakPolarHBondContact O-CG 3.35Å; G11-L14 WeakPolarHBondContact O-CB 3.31Å; G11-L14 VanDerWaalsContact O-CG 3.29Å; G11-L14 WeakPolarHBondContact O-CG 3.45Å; G11-L14 PolarHBondContact O-N 3.23Å; I12-L14 PolarHBondContact O-N 2.93Å; I12-L14 VanDerWaalsContact O-N 3.16Å; L14-L314 HydrophobicContact CD1-CB 3.84Å; L14-E315 HydrophobicContact CD2-CB 4.05Å; L14-E315 HydrophobicContact CD2-CG 4.27Å; L14-I318 HydrophobicContact CB-CD1 4.42Å; L14-I318 HydrophobicContact CD1-CD1 3.95Å; L14-I318 HydrophobicContact CD2-CD1 3.64Å; L14-I318 HydrophobicContact CG-CD1 4.19Å
15F95.3Very high95.8Very high99 Ų9936.1 Ų36.143%0.43418%0.177SC..  trans-110142.7-179.7-55.6-88.1000111.1L6 I12 R13 T18 A270L6-F15 HydrophobicContact CD2-CD2 4.44Å; L6-F15 HydrophobicContact CD2-CE2 3.66Å; L6-F15 HydrophobicContact CD2-CZ 4.49Å; I12-F15 PolarHBondContact O-N 3.28Å; I12-F15 VanDerWaalsContact O-N 3.14Å; R13-F15 PolarHBondContact O-N 3.34Å; F15-T18 HydrophobicContact CB-CG2 4.31Å; F15-A270 WeakPolarHBondContact O-CB 3.27Å; F15-A270 PolarHBondContact O-N 2.94Å
16N95.6Very high95.9Very high74 Ų7436.9 Ų36.940%0.39618%0.181SC..SBendtrans-77.5-47.2173.8-6826.1000111.1K268N16-K268 WeakPolarHBondContact CB-O 3.49Å; N16-K268 VanDerWaalsContact CG-O 3.26Å; N16-K268 WeakPolarHBondContact O-CG 2.97Å
17Y96.9Very high95.9Very high27 Ų2734.2 Ų34.211%0.10617%0.166CC..SBendtrans-123.4153-179.2-51.7-75.2000110.3D26 Y240 V241 Q244 E245 K268Y17-D26 WeakPolarHBondContact CA-OD2 3.43Å; Y17-Y240 HydrophobicContact CD1-CE1 4.03Å; Y17-Y240 HydrophobicContact CG-CE1 4.34Å; Y17-V241 HydrophobicContact CD2-CG1 4.34Å; Y17-V241 HydrophobicContact CD2-CG2 4.32Å; Y17-Q244 HydrophobicContact CD1-CB 4.39Å; Y17-Q244 HydrophobicContact CD1-CG 4.15Å; Y17-Q244 HydrophobicContact CE1-CB 3.67Å; Y17-Q244 HydrophobicContact CE1-CG 3.71Å; Y17-Q244 HydrophobicContact CE2-CB 3.87Å; Y17-Q244 WeakPolarHBondContact OH-CB 3.04Å; Y17-E245 WeakPolarHBondContact CE2-OE1 3.38Å; Y17-K268 HydrophobicContact CD1-CG 4.17Å; Y17-K268 HydrophobicContact CE1-CB 4.47Å; Y17-K268 HydrophobicContact CE1-CG 3.68Å
18T97.3Very high96Very high8 Ų836.6 Ų36.65%0.04918%0.181CC..  trans-140.1142.8-174.152.70000111.4I12 F15 D26 Y27 A270 H274I12-T18 HydrophobicContact CD1-CG2 3.84Å; I12-T18 HydrophobicContact CG1-CG2 4.24Å; F15-T18 HydrophobicContact CB-CG2 4.31Å; T18-D26 PolarHBondContact N-OD2 3.03Å; T18-D26 PolarHBondContact O-N 3.45Å; T18-D26 PolarHBondContact OG1-OD2 2.93Å; T18-Y27 PolarHBondContact O-N 3.33Å; T18-A270 HydrophobicContact CG2-CB 3.48Å; T18-A270 VanDerWaalsContact CG2-CB 3.48Å; T18-H274 HydrophobicContact CG2-CB 4.41Å; T18-H274 PolarHBondContact OG1-ND1 3.28Å
19A96.8Very high96Very high28 Ų2836.7 Ų36.723%0.23118%0.182CC..  trans-124.4108.7167.100000108.5Y27 L29 F237A19-Y27 VanDerWaalsContact CA-O 3.24Å; A19-Y27 WeakPolarHBondContact CA-O 3.3Å; A19-Y27 HydrophobicContact CB-CD1 4.27Å; A19-Y27 WeakPolarHBondContact CB-O 3.38Å; A19-L29 HydrophobicContact CB-CD1 3.99Å; A19-L29 HydrophobicContact CB-CG 4.14Å; A19-F237 HydrophobicContact CB-CB 4.15Å; A19-F237 HydrophobicContact CB-CD1 3.93Å; A19-F237 HydrophobicContact CB-CD2 3.55Å; A19-F237 HydrophobicContact CB-CE1 4.17Å; A19-F237 HydrophobicContact CB-CE2 3.8Å; A19-F237 HydrophobicContact CB-CG 3.6Å; A19-F237 HydrophobicContact CB-CZ 4.11Å
20T95.9Very high96Very high16 Ų1636.3 Ų36.310%0.09818%0.177CC..  trans-141.5173.1-172.276.50000110.2R22 S25 L29 H274 M275T20-R22 PolarHBondContact O-N 3.15Å; T20-R22 WeakPolarHBondContact OG1-CB 3.36Å; T20-R22 PolarHBondContact OG1-N 3.36Å; T20-S25 PolarHBondContact N-OG 2.86Å; T20-S25 PolarHBondContact O-OG 3.15Å; T20-S25 VanDerWaalsContact OG1-CB 3.24Å; T20-S25 WeakPolarHBondContact OG1-CB 3.39Å; T20-S25 PolarHBondContact OG1-OG 3.45Å; T20-L29 WeakPolarHBondContact O-CA 3.38Å; T20-L29 WeakPolarHBondContact O-CB 3.4Å; T20-L29 PolarHBondContact O-N 2.85Å; T20-H274 WeakPolarHBondContact CB-O 3.46Å; T20-H274 WeakPolarHBondContact CG2-O 3.29Å; T20-H274 PolarHBondContact OG1-O 3.45Å; T20-M275 WeakPolarHBondContact CB-SD 3.4Å; T20-M275 HydrophobicContact CG2-CG 3.89Å; T20-M275 HydrophobicContact CG2-SD 3.38Å; T20-M275 WeakPolarHBondContact CG2-SD 3.32Å
21F95.2Very high96Very high26 Ų2635.4 Ų35.411%0.11417%0.171CC..SBendtrans-64.9-17.4173.359.3-100.6000113.5M1 T30 C135 P136 D137 Y138 M275M1-F21 HydrophobicContact CE-CE1 3.49Å; M1-F21 VanDerWaalsContact CE-CE1 3.49Å; M1-F21 HydrophobicContact CE-CE2 4.29Å; M1-F21 HydrophobicContact CE-CZ 3.35Å; M1-F21 HydrophobicContact SD-CZ 4.36Å; F21-T30 VanDerWaalsContact O-CA 3.24Å; F21-T30 WeakPolarHBondContact O-CA 3.47Å; F21-T30 WeakPolarHBondContact O-CB 3.5Å; F21-T30 PolarHBondContact O-OG1 3.22Å; F21-C135 HydrophobicContact CE2-CB 4.19Å; F21-C135 HydrophobicContact CZ-CB 4.36Å; F21-P136 WeakPolarHBondContact CD2-O 3.39Å; F21-P136 VanDerWaalsContact CE2-O 3.31Å; F21-P136 WeakPolarHBondContact CE2-O 3.42Å; F21-D137 HydrophobicContact CD2-CB 4.44Å; F21-D137 WeakPolarHBondContact O-CB 3.49Å; F21-Y138 AromaticContact CD1-CD2 3.66Å; F21-Y138 HydrophobicContact CD1-CD2 3.66Å; F21-Y138 HydrophobicContact CD1-CE2 4.36Å; F21-Y138 HydrophobicContact CD2-CD2 4.32Å; F21-Y138 AromaticContact CE1-CD2 3.79Å; F21-Y138 HydrophobicContact CE1-CD2 3.79Å; F21-Y138 HydrophobicContact CE1-CE2 4.46Å; F21-Y138 HydrophobicContact CE2-CD2 4.44Å; F21-Y138 AromaticContact CG-CD2 3.95Å; F21-Y138 HydrophobicContact CG-CD2 3.95Å; F21-Y138 HydrophobicContact CZ-CD2 4.2Å; F21-M275 HydrophobicContact CE1-CE 3.67Å; F21-M275 HydrophobicContact CE1-SD 3.99Å; F21-M275 HydrophobicContact CZ-CE 4.06Å; F21-M275 HydrophobicContact CZ-SD 4.25Å
22R96.6Very high95.9Very high24 Ų2437.5 Ų37.59%0.09118%0.181CC..SBendtrans-71.6132.3179.4-68.9-66-62.3-97.3-0.2111.5T20 E24 S25 P136 S273 H274 M275T20-R22 PolarHBondContact O-N 3.15Å; T20-R22 WeakPolarHBondContact OG1-CB 3.36Å; T20-R22 PolarHBondContact OG1-N 3.36Å; R22-E24 IonicContact CZ-OE2 3.41Å; R22-E24 VanDerWaalsContact CZ-OE2 3.31Å; R22-E24 IonicContact NE-OE2 2.84Å; R22-E24 PolarHBondContact NE-OE2 3.3Å; R22-E24 IonicContact NH2-OE2 3.06Å; R22-E24 PolarHBondContact NH2-OE2 3.04Å; R22-E24 PolarHBondContact O-N 3.21Å; R22-E24 VanDerWaalsContact O-N 3.17Å; R22-S25 WeakPolarHBondContact O-CB 3.39Å; R22-S25 PolarHBondContact O-N 2.87Å; R22-S25 PolarHBondContact O-OG 3.45Å; R22-P136 WeakPolarHBondContact CD-O 3.33Å; R22-S273 PolarHBondContact NE-O 2.66Å; R22-S273 PolarHBondContact NH2-O 3.1Å; R22-H274 WeakPolarHBondContact CB-O 3.35Å; R22-H274 WeakPolarHBondContact CG-O 3.29Å; R22-M275 WeakPolarHBondContact CD-O 3.33Å; R22-M275 WeakPolarHBondContact CG-O 3.37Å; R22-M275 PolarHBondContact NH1-O 3.14Å
23R96.3Very high95.8Very high49 Ų4941.9 Ų41.919%0.18520%0.197CC..THydrogen-bonded Turntrans-63.8-20.7176.375.4-178.469.5175.56.6113S25 P28 T30 D137 D163 W164R23-S25 VanDerWaalsContact C-N 3.35Å; R23-P28 WeakPolarHBondContact O-CG 3.46Å; R23-T30 WeakPolarHBondContact CA-OG1 3.42Å; R23-T30 PolarHBondContact N-OG1 2.87Å; R23-D137 WeakPolarHBondContact CB-OD2 3.44Å; R23-D137 VanDerWaalsContact CG-OD2 3.25Å; R23-D137 WeakPolarHBondContact CG-OD2 3.36Å; R23-D137 IonicContact CZ-OD1 2.85Å; R23-D137 VanDerWaalsContact CZ-OD1 3.27Å; R23-D137 IonicContact CZ-OD2 2.92Å; R23-D137 PolarHBondContact N-OD2 3.45Å; R23-D137 VanDerWaalsContact N-OD2 3.12Å; R23-D137 IonicContact NE-OD1 3.35Å; R23-D137 PolarHBondContact NE-OD1 3.5Å; R23-D137 IonicContact NE-OD2 2.72Å; R23-D137 PolarHBondContact NE-OD2 3.44Å; R23-D137 IonicContact NH2-OD1 2.8Å; R23-D137 PolarHBondContact NH2-OD1 3.04Å; R23-D163 IonicContact CZ-OD2 3.2Å; R23-D163 VanDerWaalsContact CZ-OD2 3.26Å; R23-D163 IonicContact NH1-OD2 2.71Å; R23-D163 PolarHBondContact NH1-OD2 3.36Å; R23-D163 IonicContact NH2-OD2 3.32Å; R23-D163 PolarHBondContact NH2-OD2 3.27Å; R23-W164 HydrophobicContact CB-CZ2 4.03Å
24E96.5Very high95.9Very high78 Ų7835.6 Ų35.636%0.36417%0.173SC..THydrogen-bonded Turntrans-84.1-5.9176.7-60.880.5-163.100114R22 H274R22-E24 IonicContact CZ-OE2 3.41Å; R22-E24 VanDerWaalsContact CZ-OE2 3.31Å; R22-E24 IonicContact NE-OE2 2.84Å; R22-E24 PolarHBondContact NE-OE2 3.3Å; R22-E24 IonicContact NH2-OE2 3.06Å; R22-E24 PolarHBondContact NH2-OE2 3.04Å; R22-E24 PolarHBondContact O-N 3.21Å; R22-E24 VanDerWaalsContact O-N 3.17Å; E24-H274 PolarHBondContact O-CD2 2.8Å; E24-H274 PolarHBondContact O-NE2 2.77Å
25S96.4Very high95.8Very high7 Ų734.5 Ų34.55%0.04917%0.17CC..SBendtrans-67.3158.6175.260.50000111.6T20 R22 R23 Y27 P28T20-S25 PolarHBondContact N-OG 2.86Å; T20-S25 PolarHBondContact O-OG 3.15Å; T20-S25 VanDerWaalsContact OG1-CB 3.24Å; T20-S25 WeakPolarHBondContact OG1-CB 3.39Å; T20-S25 PolarHBondContact OG1-OG 3.45Å; R22-S25 WeakPolarHBondContact O-CB 3.39Å; R22-S25 PolarHBondContact O-N 2.87Å; R22-S25 PolarHBondContact O-OG 3.45Å; R23-S25 VanDerWaalsContact C-N 3.35Å; S25-Y27 PolarHBondContact O-N 3.21Å; S25-P28 WeakPolarHBondContact O-CD 3.39Å; S25-P28 WeakPolarHBondContact O-CG 3.3Å; S25-P28 WeakPolarHBondContact OG-CA 3.34Å
26D96.6Very high95.8Very high30 Ų3031.4 Ų31.416%0.1616%0.16CC..SBendtrans-64.2-32.2-174.8-52.1-80.5000111.9Y17 T18 Y240 K268 H274Y17-D26 WeakPolarHBondContact CA-OD2 3.43Å; T18-D26 PolarHBondContact N-OD2 3.03Å; T18-D26 PolarHBondContact O-N 3.45Å; T18-D26 PolarHBondContact OG1-OD2 2.93Å; D26-Y240 HydrophobicContact CB-CE1 3.82Å; D26-K268 WeakPolarHBondContact OD1-CE 3.32Å; D26-K268 IonicContact OD1-NZ 2.6Å; D26-K268 PolarHBondContact OD1-NZ 3.47Å; D26-H274 IonicContact OD1-CE1 3Å; D26-H274 PolarHBondContact OD1-CE1 3.06Å; D26-H274 IonicContact OD2-CE1 4Å; D26-H274 PolarHBondContact OD2-CE1 3.42Å; D26-H274 IonicContact OD2-ND1 3.67Å; D26-H274 PolarHBondContact OD2-ND1 3.12Å
27Y96.6Very high95.8Very high11 Ų1129.8 Ų29.84%0.04315%0.151CC..SBendtrans-130.484.7175-162.4-98000109.9T18 A19 S25 L29 W223 G236 F237 Y240T18-Y27 PolarHBondContact O-N 3.33Å; A19-Y27 VanDerWaalsContact CA-O 3.24Å; A19-Y27 WeakPolarHBondContact CA-O 3.3Å; A19-Y27 HydrophobicContact CB-CD1 4.27Å; A19-Y27 WeakPolarHBondContact CB-O 3.38Å; S25-Y27 PolarHBondContact O-N 3.21Å; Y27-L29 HydrophobicContact CD1-CD2 4.16Å; Y27-L29 HydrophobicContact CE1-CD2 4.43Å; Y27-L29 PolarHBondContact O-N 3.25Å; Y27-W223 HydrophobicContact CE1-CB 4.43Å; Y27-W223 AromaticContact CE1-CD1 3.16Å; Y27-W223 AromaticContact CE1-CG 3.98Å; Y27-W223 HydrophobicContact CE1-CG 3.98Å; Y27-W223 AromaticContact CE1-NE1 3.75Å; Y27-W223 AromaticContact CZ-CD1 3.43Å; Y27-W223 VanDerWaalsContact CZ-CD1 3.43Å; Y27-G236 WeakPolarHBondContact OH-CA 3.14Å; Y27-F237 HydrophobicContact CD1-CB 3.99Å; Y27-F237 HydrophobicContact CD1-CD2 4.24Å; Y27-F237 HydrophobicContact CE1-CB 4.25Å; Y27-F237 HydrophobicContact CG-CD2 4.02Å; Y27-Y240 HydrophobicContact CD2-CD1 4.32Å; Y27-Y240 AromaticContact CD2-CD2 3.82Å; Y27-Y240 HydrophobicContact CD2-CD2 3.82Å; Y27-Y240 AromaticContact CD2-CG 3.69Å; Y27-Y240 HydrophobicContact CD2-CG 3.69Å; Y27-Y240 HydrophobicContact CE2-CD2 4.39Å; Y27-Y240 HydrophobicContact CE2-CG 4.33Å; Y27-Y240 HydrophobicContact CG-CG 4.41Å
28P96.1Very high95.7Very high52 Ų5234.4 Ų34.434%0.33817%0.174SC..  trans-63.7133.1-170-24.934.9000114.3R23 S25 W223R23-P28 WeakPolarHBondContact O-CG 3.46Å; S25-P28 WeakPolarHBondContact O-CD 3.39Å; S25-P28 WeakPolarHBondContact O-CG 3.3Å; S25-P28 WeakPolarHBondContact OG-CA 3.34Å; P28-W223 WeakPolarHBondContact O-CZ2 2.88Å; P28-W223 PolarHBondContact O-NE1 3.4Å; P28-W223 VanDerWaalsContact O-NE1 3.17Å
29L96.1Very high95.6Very high14 Ų1434.5 Ų34.57%0.07317%0.173CC..  trans-110.921.9174.2-54.5-175.7000112.2A19 T20 Y27 L31 Q32 W223 Y233A19-L29 HydrophobicContact CB-CD1 3.99Å; A19-L29 HydrophobicContact CB-CG 4.14Å; T20-L29 WeakPolarHBondContact O-CA 3.38Å; T20-L29 WeakPolarHBondContact O-CB 3.4Å; T20-L29 PolarHBondContact O-N 2.85Å; Y27-L29 HydrophobicContact CD1-CD2 4.16Å; Y27-L29 HydrophobicContact CE1-CD2 4.43Å; Y27-L29 PolarHBondContact O-N 3.25Å; L29-L31 PolarHBondContact O-N 3.37Å; L29-L31 VanDerWaalsContact O-N 3.14Å; L29-Q32 HydrophobicContact CB-CB 4.17Å; L29-Q32 VanDerWaalsContact O-CB 3.27Å; L29-Q32 WeakPolarHBondContact O-CB 3.38Å; L29-Q32 WeakPolarHBondContact O-CG 3.23Å; L29-Q32 PolarHBondContact O-N 2.9Å; L29-W223 HydrophobicContact CD2-CD2 4.27Å; L29-W223 HydrophobicContact CD2-CZ2 3.97Å; L29-Y233 HydrophobicContact CD1-CD2 4.21Å; L29-Y233 HydrophobicContact CD2-CG 4.41Å
30T96Very high95.5Very high5 Ų533.2 Ų33.23%0.03116%0.162CC..THydrogen-bonded Turntrans-54.8-34.9-174.9-53.90000113.8F21 R23 D137 M139 W164F21-T30 VanDerWaalsContact O-CA 3.24Å; F21-T30 WeakPolarHBondContact O-CA 3.47Å; F21-T30 WeakPolarHBondContact O-CB 3.5Å; F21-T30 PolarHBondContact O-OG1 3.22Å; R23-T30 WeakPolarHBondContact CA-OG1 3.42Å; R23-T30 PolarHBondContact N-OG1 2.87Å; T30-D137 HydrophobicContact CG2-CB 3.78Å; T30-M139 HydrophobicContact CG2-CE 3.43Å; T30-M139 VanDerWaalsContact CG2-CE 3.43Å; T30-W164 HydrophobicContact CG2-CD2 4.09Å; T30-W164 VanDerWaalsContact CG2-CE2 3.41Å; T30-W164 HydrophobicContact CG2-CH2 4.11Å; T30-W164 HydrophobicContact CG2-CZ2 3.43Å; T30-W164 VanDerWaalsContact CG2-CZ2 3.43Å
31L95.9Very high95.6Very high6 Ų634.5 Ų34.53%0.03117%0.169CC..THydrogen-bonded Turntrans-103.821.7179.9-61.8179.6000112.9L29 W33 L34 W144 W164 L214 L218 R221L29-L31 PolarHBondContact O-N 3.37Å; L29-L31 VanDerWaalsContact O-N 3.14Å; L31-W33 PolarHBondContact O-N 3.2Å; L31-W33 VanDerWaalsContact O-N 3.08Å; L31-L34 HydrophobicContact CD2-CD2 4.45Å; L31-L34 PolarHBondContact O-N 3.46Å; L31-L34 VanDerWaalsContact O-O 3.12Å; L31-W144 HydrophobicContact CD2-CH2 4.07Å; L31-W144 HydrophobicContact CD2-CZ2 3.72Å; L31-W164 HydrophobicContact CD1-CE3 4.06Å; L31-W164 HydrophobicContact CD1-CZ3 3.91Å; L31-W164 HydrophobicContact CD2-CD2 4.19Å; L31-W164 HydrophobicContact CD2-CE3 3.74Å; L31-W164 HydrophobicContact CD2-CZ3 4.28Å; L31-W164 HydrophobicContact CG-CE3 4.07Å; L31-W164 HydrophobicContact CG-CZ3 4.09Å; L31-L214 HydrophobicContact CD1-CD1 4.05Å; L31-L214 HydrophobicContact CD2-CD1 4.1Å; L31-L218 HydrophobicContact CB-CD2 4.43Å; L31-L218 HydrophobicContact CD1-CD2 3.87Å; L31-L218 HydrophobicContact CD1-CG 3.91Å; L31-R221 PolarHBondContact O-NH1 3.43Å
32Q93.9Very high95.5Very high45 Ų4538 Ų3821%0.2119%0.185CC..THydrogen-bonded Turntrans-63.3-19.2-173.772.1173.745.600113.9L29 W223 V225L29-Q32 HydrophobicContact CB-CB 4.17Å; L29-Q32 VanDerWaalsContact O-CB 3.27Å; L29-Q32 WeakPolarHBondContact O-CB 3.38Å; L29-Q32 WeakPolarHBondContact O-CG 3.23Å; L29-Q32 PolarHBondContact O-N 2.9Å; Q32-W223 VanDerWaalsContact CA-CH2 3.45Å; Q32-W223 HydrophobicContact CB-CH2 3.95Å; Q32-W223 HydrophobicContact CB-CZ3 4.17Å; Q32-V225 VanDerWaalsContact O-CG2 3.23Å; Q32-V225 WeakPolarHBondContact O-CG2 3.42Å
33W94.1Very high95.4Very high96 Ų9642.3 Ų42.336%0.36422%0.216SC..THydrogen-bonded Turntrans-100.57.7178.1-64.8102.5000112.8L31 T140 E141 W144L31-W33 PolarHBondContact O-N 3.2Å; L31-W33 VanDerWaalsContact O-N 3.08Å; W33-T140 VanDerWaalsContact CD1-CA 3.43Å; W33-E141 HydrophobicContact CD2-CB 4.28Å; W33-E141 HydrophobicContact CE3-CB 3.71Å; W33-E141 HydrophobicContact CZ3-CB 4.11Å; W33-W144 WeakPolarHBondContact O-CB 3.18Å
34L95.1Very high95.1Very high0 Ų042.9 Ų42.90%023%0.225CC..  trans-118.198.6171.6-179.264.2000109.4L31 S36 Y39 L40 W144 L214 L218 R221L31-L34 HydrophobicContact CD2-CD2 4.45Å; L31-L34 PolarHBondContact O-N 3.46Å; L31-L34 VanDerWaalsContact O-O 3.12Å; L34-S36 PolarHBondContact O-N 3.06Å; L34-Y39 HydrophobicContact CD1-CD1 3.75Å; L34-Y39 HydrophobicContact CD1-CE1 4.44Å; L34-L40 HydrophobicContact CD1-CD1 3.92Å; L34-L40 HydrophobicContact CD1-CD2 3.67Å; L34-L40 HydrophobicContact CD1-CG 3.54Å; L34-L40 HydrophobicContact CD2-CD1 4.13Å; L34-W144 HydrophobicContact CB-CD2 3.88Å; L34-W144 HydrophobicContact CB-CE3 4.24Å; L34-W144 HydrophobicContact CB-CG 4.13Å; L34-W144 HydrophobicContact CB-CZ2 4.44Å; L34-W144 HydrophobicContact CD1-CD2 4.24Å; L34-W144 HydrophobicContact CD1-CE3 3.91Å; L34-W144 HydrophobicContact CD1-CZ3 4.47Å; L34-W144 HydrophobicContact CD2-CD2 4.42Å; L34-W144 HydrophobicContact CD2-CE3 3.98Å; L34-W144 HydrophobicContact CD2-CH2 4Å; L34-W144 HydrophobicContact CD2-CZ2 4.43Å; L34-W144 HydrophobicContact CD2-CZ3 3.76Å; L34-W144 HydrophobicContact CG-CD2 4.4Å; L34-W144 HydrophobicContact CG-CE3 4.26Å; L34-L214 HydrophobicContact CD2-CD1 3.69Å; L34-L218 HydrophobicContact CD2-CD1 3.98Å; L34-L218 HydrophobicContact CD2-CD2 4.04Å; L34-L218 HydrophobicContact CD2-CG 4.41Å; L34-L218 HydrophobicContact CG-CD2 4.23Å; L34-R221 PolarHBondContact O-NH1 3.08Å; L34-R221 PolarHBondContact O-NH2 3.18Å
35P93Very high94.8Very high30 Ų3041.8 Ų41.820%0.19523%0.23CC..  trans-64.6-36.7-173.2-25.635.1000114.9Y39 R221 V225P35-Y39 HydrophobicContact CG-CD2 4.22Å; P35-Y39 HydrophobicContact CG-CG 4.3Å; P35-R221 PolarHBondContact O-NH2 3.3Å; P35-V225 HydrophobicContact CB-CB 4.31Å; P35-V225 HydrophobicContact CG-CG1 4.33Å
36S94.6Very high94.8Very high34 Ų3442 Ų4224%0.23823%0.231CC..  trans-165.1179.4176.1800000111.5L34 E38 Y39L34-S36 PolarHBondContact O-N 3.06Å; S36-E38 WeakPolarHBondContact CB-OE2 3.4Å; S36-E38 WeakPolarHBondContact OG-CB 3.27Å; S36-E38 PolarHBondContact OG-N 2.66Å; S36-E38 VanDerWaalsContact OG-N 3.15Å; S36-E38 PolarHBondContact OG-OE2 3.27Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact OG-N 3.05Å; S36-Y39 VanDerWaalsContact OG-N 3.17Å
37L95.3Very high94.8Very high39 Ų3943.5 Ų43.520%0.20424%0.244CC..Hα-helixtrans-71-38.5170.7-16964.6000110.9Y39 L40 L41 I209 L215 L218L37-Y39 PolarHBondContact O-N 3.42Å; L37-L40 WeakPolarHBondContact O-CB 3.5Å; L37-L40 PolarHBondContact O-N 3.05Å; L37-L41 HydrophobicContact CD2-CD1 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 2.93Å; L37-I209 HydrophobicContact CD1-CD1 3.54Å; L37-I209 HydrophobicContact CD1-CG2 4.4Å; L37-I209 HydrophobicContact CG-CD1 4.21Å; L37-L215 HydrophobicContact CD1-CD2 4.01Å; L37-L215 HydrophobicContact CD2-CD2 3.76Å; L37-L218 HydrophobicContact CB-CD1 4.19Å; L37-L218 HydrophobicContact CD1-CD1 4.3Å
38E95.2Very high94.8Very high125 Ų12544.8 Ų44.858%0.58425%0.251SS*.Hα-helixtrans-57.7-37177.9-61.869.8-153.200111.5S36 L40 L41 E42S36-E38 WeakPolarHBondContact CB-OE2 3.4Å; S36-E38 WeakPolarHBondContact OG-CB 3.27Å; S36-E38 PolarHBondContact OG-N 2.66Å; S36-E38 VanDerWaalsContact OG-N 3.15Å; S36-E38 PolarHBondContact OG-OE2 3.27Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.21Å; E38-L41 CarbonylContact O-C 3.51Å; E38-L41 WeakPolarHBondContact O-CA 3.49Å; E38-L41 PolarHBondContact O-N 3.25Å; E38-E42 PolarHBondContact O-N 2.96Å
39Y94.8Very high94.9Very high10 Ų1049.7 Ų49.74%0.03927%0.269CS..Hα-helixtrans-53.3-44.2172.9179.6-100.8000112.2L34 P35 S36 L37 L41 E113 W144 H148L34-Y39 HydrophobicContact CD1-CD1 3.75Å; L34-Y39 HydrophobicContact CD1-CE1 4.44Å; P35-Y39 HydrophobicContact CG-CD2 4.22Å; P35-Y39 HydrophobicContact CG-CG 4.3Å; S36-Y39 WeakPolarHBondContact O-CB 3.4Å; S36-Y39 PolarHBondContact OG-N 3.05Å; S36-Y39 VanDerWaalsContact OG-N 3.17Å; L37-Y39 PolarHBondContact O-N 3.42Å; Y39-L41 VanDerWaalsContact C-N 3.3Å; Y39-L41 PolarHBondContact O-N 2.75Å; Y39-E113 WeakPolarHBondContact CE2-OE1 3.44Å; Y39-E113 PolarHBondContact OH-OE1 3.01Å; Y39-W144 HydrophobicContact CE1-CB 4.49Å; Y39-H148 HydrophobicContact CD1-CB 3.76Å; Y39-H148 AromaticContact CD2-CE1 3.85Å; Y39-H148 AromaticContact CD2-ND1 3.63Å; Y39-H148 HydrophobicContact CE1-CB 3.19Å; Y39-H148 AromaticContact CE1-CG 3.56Å; Y39-H148 HydrophobicContact CE2-CB 4.13Å; Y39-H148 AromaticContact CE2-CD2 3.57Å; Y39-H148 AromaticContact CE2-CE1 3.61Å; Y39-H148 AromaticContact CE2-CG 3.5Å; Y39-H148 AromaticContact CE2-ND1 3.53Å; Y39-H148 AromaticContact CE2-NE2 3.69Å; Y39-H148 HydrophobicContact CG-CB 4.43Å; Y39-H148 AromaticContact CG-ND1 3.95Å; Y39-H148 VanDerWaalsContact CZ-CB 3.41Å; Y39-H148 AromaticContact CZ-CD2 3.4Å; Y39-H148 VanDerWaalsContact CZ-CD2 3.4Å; Y39-H148 AromaticContact CZ-CG 3.25Å; Y39-H148 AromaticContact CZ-ND1 3.77Å; Y39-H148 PolarHBondContact O-ND1 2.89Å; Y39-H148 PolarHBondContact OH-CD2 3.16Å; Y39-H148 VanDerWaalsContact OH-CD2 3.31Å
40L95.7Very high95Very high0 Ų052.2 Ų52.20%028%0.281CS..Hα-helixtrans-70.5-28.9176.2-66.3-179.6000112.7L34 L37 E38 E42 W144 L147 P166 F203 K204L34-L40 HydrophobicContact CD1-CD1 3.92Å; L34-L40 HydrophobicContact CD1-CD2 3.67Å; L34-L40 HydrophobicContact CD1-CG 3.54Å; L34-L40 HydrophobicContact CD2-CD1 4.13Å; L37-L40 WeakPolarHBondContact O-CB 3.5Å; L37-L40 PolarHBondContact O-N 3.05Å; E38-L40 VanDerWaalsContact C-N 3.27Å; E38-L40 PolarHBondContact O-N 3.21Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-W144 HydrophobicContact CD2-CE3 4.36Å; L40-L147 HydrophobicContact CD2-CB 3.87Å; L40-P166 HydrophobicContact CD1-CG 3.83Å; L40-F203 HydrophobicContact CB-CE2 4.33Å; L40-K204 WeakPolarHBondContact O-CD 3.41Å; L40-K204 WeakPolarHBondContact O-CE 3.27Å; L40-K204 PolarHBondContact O-NZ 3.35Å
41L96.7Very high95.1Very high43 Ų4352.2 Ų52.223%0.22528%0.28CS..Hα-helixtrans-85.8-4.8-176.6-63170.5000113.4L37 E38 Y39 K204 P206 I209L37-L41 HydrophobicContact CD2-CD1 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.06Å; L37-L41 WeakPolarHBondContact O-CG 3.42Å; L37-L41 PolarHBondContact O-N 2.93Å; E38-L41 CarbonylContact O-C 3.51Å; E38-L41 WeakPolarHBondContact O-CA 3.49Å; E38-L41 PolarHBondContact O-N 3.25Å; Y39-L41 VanDerWaalsContact C-N 3.3Å; Y39-L41 PolarHBondContact O-N 2.75Å; L41-K204 WeakPolarHBondContact CD2-O 3.42Å; L41-P206 HydrophobicContact CD1-CB 4.21Å; L41-P206 HydrophobicContact CD1-CG 3.76Å; L41-P206 HydrophobicContact CD2-CB 4.26Å; L41-P206 HydrophobicContact CD2-CG 3.75Å; L41-P206 HydrophobicContact CG-CG 4.36Å; L41-I209 HydrophobicContact CD2-CD1 3.88Å; L41-I209 HydrophobicContact CG-CD1 4.46Å
42E95Very high95.2Very high99 Ų9953 Ų5346%0.46329%0.285SS..SBendtrans-55.8141.5175.4-73.6-162.5-159.400111.4E38 L40 H148 K204E38-E42 PolarHBondContact O-N 2.96Å; L40-E42 VanDerWaalsContact C-N 3.33Å; E42-H148 IonicContact OE2-CE1 2.73Å; E42-H148 PolarHBondContact OE2-CE1 3.21Å; E42-H148 VanDerWaalsContact OE2-CE1 3.26Å; E42-K204 PolarHBondContact O-NZ 3.04Å
43P93.3Very high95.5Very high115 Ų11555 Ų5575%0.74729%0.29SS*.PPolyproline II helixtrans-55.2145.2179.3-24.934000112A45P43-A45 PolarHBondContact O-N 3.13Å
44V91.4Very high95.6Very high61 Ų6151.5 Ų51.537%0.3728%0.278SS..PPolyproline II helixtrans-62.5126.1174.8-57.90000109.7V46 K204V44-V46 VanDerWaalsContact C-N 3.29Å; V44-V46 PolarHBondContact O-N 3.34Å; V44-K204 HydrophobicContact CG1-CG 4.48Å
45A89.6Confident95.8Very high56 Ų5654.6 Ų54.646%0.46329%0.29SS..SBendtrans-67.5-31.7-175.300000112.5P43 A122P43-A45 PolarHBondContact O-N 3.13Å; A45-A122 HydrophobicContact CB-CB 3.87Å
46V96Very high96Very high12 Ų1261.9 Ų61.97%0.07331%0.314CS..SBendtrans-125.2125179.1-178.90000109.4V44 E50 K51 A122 R123V44-V46 VanDerWaalsContact C-N 3.29Å; V44-V46 PolarHBondContact O-N 3.34Å; V46-E50 HydrophobicContact CG1-CB 3.78Å; V46-E50 HydrophobicContact CG1-CG 3.55Å; V46-K51 HydrophobicContact CG1-CG 3.9Å; V46-K51 VanDerWaalsContact O-CE 3.28Å; V46-K51 WeakPolarHBondContact O-CE 3.45Å; V46-A122 HydrophobicContact CB-CB 4.08Å; V46-A122 HydrophobicContact CG2-CB 3.66Å; V46-R123 HydrophobicContact CG2-CG 4.11Å
47S96.7Very high96.1Very high61 Ų6166.1 Ų66.143%0.42733%0.33SS..  trans-68.5155.4-179.671.40000111.9E49 E50 K51S47-E49 VanDerWaalsContact C-N 3.26Å; S47-E49 PolarHBondContact O-N 3.06Å; S47-E50 PolarHBondContact O-N 2.78Å; S47-E50 VanDerWaalsContact O-N 3.11Å; S47-E50 WeakPolarHBondContact OG-CB 3.44Å; S47-E50 PolarHBondContact OG-N 3.43Å; S47-K51 WeakPolarHBondContact O-CG 3.49Å; S47-K51 PolarHBondContact O-N 3.48Å
48L97.2Very high96.2Very high37 Ų3766.2 Ų66.219%0.19434%0.34CS..Hα-helixtrans-58.8-38.1176.8178.755.6000112.6E50 K51 N52 K125 D194 Y197 V198L48-E50 VanDerWaalsContact C-N 3.29Å; L48-E50 PolarHBondContact O-N 3.43Å; L48-K51 PolarHBondContact O-N 3.13Å; L48-N52 WeakPolarHBondContact O-CB 3.16Å; L48-N52 VanDerWaalsContact O-CG 3.29Å; L48-N52 PolarHBondContact O-N 2.68Å; L48-N52 PolarHBondContact O-ND2 2.68Å; L48-K125 HydrophobicContact CD1-CD 4.42Å; L48-D194 HydrophobicContact CD2-CB 3.8Å; L48-Y197 HydrophobicContact CD1-CD1 3.61Å; L48-Y197 HydrophobicContact CD1-CE1 3.68Å; L48-Y197 HydrophobicContact CD2-CD1 4.07Å; L48-Y197 HydrophobicContact CG-CD1 4.45Å; L48-V198 HydrophobicContact CD2-CG1 3.48Å; L48-V198 VanDerWaalsContact CD2-CG1 3.48Å
49E98Very high96.3Very high155 Ų15561.5 Ų61.572%0.72432%0.319SS*.Hα-helixtrans-57.6-43.8175.3-176.2179.1-177.500111.6S47 N52 R53S47-E49 VanDerWaalsContact C-N 3.26Å; S47-E49 PolarHBondContact O-N 3.06Å; E49-N52 PolarHBondContact O-N 2.71Å; E49-R53 PolarHBondContact O-N 3.41Å
50E98.1Very high96.5Very high67 Ų6761.1 Ų61.131%0.31332%0.318SS..Hα-helixtrans-70.2-41.1178.4178.761.4-178.100111.9V46 S47 L48 N52 R53 L54V46-E50 HydrophobicContact CG1-CB 3.78Å; V46-E50 HydrophobicContact CG1-CG 3.55Å; S47-E50 PolarHBondContact O-N 2.78Å; S47-E50 VanDerWaalsContact O-N 3.11Å; S47-E50 WeakPolarHBondContact OG-CB 3.44Å; S47-E50 PolarHBondContact OG-N 3.43Å; L48-E50 VanDerWaalsContact C-N 3.29Å; L48-E50 PolarHBondContact O-N 3.43Å; E50-N52 VanDerWaalsContact C-N 3.27Å; E50-N52 PolarHBondContact O-N 3.08Å; E50-R53 WeakPolarHBondContact O-CB 3.23Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-R53 IonicContact OE1-CZ 3.47Å; E50-R53 IonicContact OE1-NE 3.47Å; E50-R53 PolarHBondContact OE1-NE 3Å; E50-R53 IonicContact OE1-NH2 2.71Å; E50-R53 PolarHBondContact OE1-NH2 3.34Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.84Å; E50-R53 PolarHBondContact OE2-NE 3.12Å; E50-R53 IonicContact OE2-NH2 3.49Å; E50-L54 HydrophobicContact CG-CD1 4.33Å; E50-L54 WeakPolarHBondContact O-CG 3.24Å; E50-L54 PolarHBondContact O-N 2.89Å
51K98.2Very high96.6Very high6 Ų661.4 Ų61.43%0.02632%0.32CS..Hα-helixtrans-56.5-44171.5-62.9-175.6-170.8-148.30111.1V46 S47 L48 L54 R55 A122 Y124 K125 G150 Y197V46-K51 HydrophobicContact CG1-CG 3.9Å; V46-K51 VanDerWaalsContact O-CE 3.28Å; V46-K51 WeakPolarHBondContact O-CE 3.45Å; S47-K51 WeakPolarHBondContact O-CG 3.49Å; S47-K51 PolarHBondContact O-N 3.48Å; L48-K51 PolarHBondContact O-N 3.13Å; K51-L54 PolarHBondContact O-N 3.15Å; K51-R55 WeakPolarHBondContact O-CB 3.44Å; K51-R55 PolarHBondContact O-N 3.36Å; K51-A122 WeakPolarHBondContact CE-O 3.33Å; K51-A122 PolarHBondContact NZ-O 3.02Å; K51-A122 VanDerWaalsContact NZ-O 3.11Å; K51-Y124 PolarHBondContact NZ-O 2.81Å; K51-K125 HydrophobicContact CB-CG 4.38Å; K51-K125 HydrophobicContact CD-CG 4.3Å; K51-G150 PolarHBondContact NZ-O 3.19Å; K51-Y197 PolarHBondContact NZ-OH 2.9Å
52N98.3Very high96.7Very high22 Ų2259.4 Ų59.412%0.11831%0.309CS..Hα-helixtrans-66.4-37.3177.7-75.9-21.1000112.6L48 E49 E50 R56 K125 D194L48-N52 WeakPolarHBondContact O-CB 3.16Å; L48-N52 VanDerWaalsContact O-CG 3.29Å; L48-N52 PolarHBondContact O-N 2.68Å; L48-N52 PolarHBondContact O-ND2 2.68Å; E49-N52 PolarHBondContact O-N 2.71Å; E50-N52 VanDerWaalsContact C-N 3.27Å; E50-N52 PolarHBondContact O-N 3.08Å; N52-R56 WeakPolarHBondContact O-CG 3.21Å; N52-R56 PolarHBondContact O-N 3.18Å; N52-R56 VanDerWaalsContact O-N 3.12Å; N52-R56 PolarHBondContact O-NH1 2.89Å; N52-K125 WeakPolarHBondContact OD1-CE 3.34Å; N52-K125 PolarHBondContact OD1-NZ 3.11Å; N52-D194 VanDerWaalsContact ND2-CG 3.27Å; N52-D194 PolarHBondContact ND2-OD1 3.09Å; N52-D194 PolarHBondContact ND2-OD2 2.79Å
53R98.6Very high96.9Very high88 Ų8854.7 Ų54.733%0.33229%0.287SS..Hα-helixtrans-61.7-51173.1-172.6-169.868.279.95.1110.8E49 E50 R55 R56 E57E49-R53 PolarHBondContact O-N 3.41Å; E50-R53 WeakPolarHBondContact O-CB 3.23Å; E50-R53 PolarHBondContact O-N 3.43Å; E50-R53 IonicContact OE1-CZ 3.47Å; E50-R53 IonicContact OE1-NE 3.47Å; E50-R53 PolarHBondContact OE1-NE 3Å; E50-R53 IonicContact OE1-NH2 2.71Å; E50-R53 PolarHBondContact OE1-NH2 3.34Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.84Å; E50-R53 PolarHBondContact OE2-NE 3.12Å; E50-R53 IonicContact OE2-NH2 3.49Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.13Å; R53-R56 WeakPolarHBondContact O-CB 3.49Å; R53-R56 PolarHBondContact O-N 3.47Å; R53-R56 VanDerWaalsContact O-N 3.13Å; R53-E57 IonicContact CZ-OE1 3.6Å; R53-E57 IonicContact CZ-OE2 3.31Å; R53-E57 IonicContact NH1-OE1 2.65Å; R53-E57 PolarHBondContact NH1-OE1 2.94Å; R53-E57 IonicContact NH1-OE2 2.84Å; R53-E57 PolarHBondContact NH1-OE2 3.46Å; R53-E57 IonicContact NH2-OE2 2.93Å; R53-E57 PolarHBondContact O-N 2.81Å; R53-E57 VanDerWaalsContact O-N 3.1Å
54L98.1Very high97.1Very high21 Ų2149.2 Ų49.211%0.1125%0.251CS..Hα-helixtrans-61.3-38.4178.6-67.6171.2000112.1E50 K51 R56 E57 G58 L59 R123E50-L54 HydrophobicContact CG-CD1 4.33Å; E50-L54 WeakPolarHBondContact O-CG 3.24Å; E50-L54 PolarHBondContact O-N 2.89Å; K51-L54 PolarHBondContact O-N 3.15Å; L54-R56 PolarHBondContact O-N 3.03Å; L54-E57 CarbonylContact O-C 3.59Å; L54-E57 PolarHBondContact O-N 3.11Å; L54-E57 VanDerWaalsContact O-N 3.12Å; L54-G58 PolarHBondContact O-N 3.25Å; L54-L59 HydrophobicContact CB-CB 4.18Å; L54-L59 HydrophobicContact CB-CD2 3.87Å; L54-L59 HydrophobicContact CD1-CD2 4.37Å; L54-L59 WeakPolarHBondContact O-CB 3.47Å; L54-L59 PolarHBondContact O-N 3.45Å; L54-L59 VanDerWaalsContact O-N 3.09Å; L54-R123 HydrophobicContact CD1-CB 3.66Å; L54-R123 HydrophobicContact CD1-CG 3.62Å
55R97.6Very high97.2Very high66 Ų6647.2 Ų47.225%0.24924%0.239CC..Hα-helixtrans-59.1-44.9173.8-17866.6-159117.70.2111.8K51 R53 E57 G58 L59 E87 D191K51-R55 WeakPolarHBondContact O-CB 3.44Å; K51-R55 PolarHBondContact O-N 3.36Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.13Å; R55-E57 PolarHBondContact O-N 2.94Å; R55-G58 PolarHBondContact O-N 3.3Å; R55-G58 VanDerWaalsContact O-N 3.15Å; R55-L59 VanDerWaalsContact CD-O 3.27Å; R55-L59 WeakPolarHBondContact CD-O 3.32Å; R55-L59 PolarHBondContact NH1-O 2.92Å; R55-E87 IonicContact CZ-OE2 3.48Å; R55-E87 IonicContact NH1-OE2 3.02Å; R55-E87 PolarHBondContact NH1-OE2 2.89Å; R55-E87 VanDerWaalsContact NH1-OE2 3.08Å; R55-E87 IonicContact NH2-OE2 3.04Å; R55-E87 PolarHBondContact NH2-OE2 3.12Å; R55-D191 IonicContact NE-OD2 3.46Å; R55-D191 PolarHBondContact NE-OD2 3.09Å
56R97.7Very high97.3Very high182 Ų18245.2 Ų45.269%0.68722%0.219SC*.Hα-helixtrans-66-24.8175.7-71-175.4-65.2-92.22.6113.4N52 R53 L54 G58N52-R56 WeakPolarHBondContact O-CG 3.21Å; N52-R56 PolarHBondContact O-N 3.18Å; N52-R56 VanDerWaalsContact O-N 3.12Å; N52-R56 PolarHBondContact O-NH1 2.89Å; R53-R56 WeakPolarHBondContact O-CB 3.49Å; R53-R56 PolarHBondContact O-N 3.47Å; R53-R56 VanDerWaalsContact O-N 3.13Å; L54-R56 PolarHBondContact O-N 3.03Å; R56-G58 VanDerWaalsContact C-N 3.26Å
57E97.5Very high97Very high124 Ų12446.9 Ų46.958%0.57923%0.232SC*.THydrogen-bonded Turntrans-84.11.2176-71.5173.4-171.600113.5R53 L54 R55R53-E57 IonicContact CZ-OE1 3.6Å; R53-E57 IonicContact CZ-OE2 3.31Å; R53-E57 IonicContact NH1-OE1 2.65Å; R53-E57 PolarHBondContact NH1-OE1 2.94Å; R53-E57 IonicContact NH1-OE2 2.84Å; R53-E57 PolarHBondContact NH1-OE2 3.46Å; R53-E57 IonicContact NH2-OE2 2.93Å; R53-E57 PolarHBondContact O-N 2.81Å; R53-E57 VanDerWaalsContact O-N 3.1Å; L54-E57 CarbonylContact O-C 3.59Å; L54-E57 PolarHBondContact O-N 3.11Å; L54-E57 VanDerWaalsContact O-N 3.12Å; R55-E57 PolarHBondContact O-N 2.94Å
58G96.8Very high96.7Very high41 Ų4147.9 Ų47.942%0.42323%0.229SC..THydrogen-bonded Turntrans99.112173.500000115.2L54 R55 R56 R98L54-G58 PolarHBondContact O-N 3.25Å; R55-G58 PolarHBondContact O-N 3.3Å; R55-G58 VanDerWaalsContact O-N 3.15Å; R56-G58 VanDerWaalsContact C-N 3.26Å; G58-R98 PolarHBondContact O-NH2 3.36Å
59L97.8Very high96.5Very high25 Ų2547.9 Ų47.913%0.13123%0.232CC..  trans-67.1132.3165.4-166.674.6000109L54 R55 R123 Y124L54-L59 HydrophobicContact CB-CB 4.18Å; L54-L59 HydrophobicContact CB-CD2 3.87Å; L54-L59 HydrophobicContact CD1-CD2 4.37Å; L54-L59 WeakPolarHBondContact O-CB 3.47Å; L54-L59 PolarHBondContact O-N 3.45Å; L54-L59 VanDerWaalsContact O-N 3.09Å; R55-L59 VanDerWaalsContact CD-O 3.27Å; R55-L59 WeakPolarHBondContact CD-O 3.32Å; R55-L59 PolarHBondContact NH1-O 2.92Å; L59-R123 HydrophobicContact CD2-CB 4.04Å; L59-Y124 HydrophobicContact CD1-CE1 3.97Å; L59-Y124 HydrophobicContact CD1-CE2 4.15Å; L59-Y124 WeakPolarHBondContact CD1-OH 3.15Å; L59-Y124 HydrophobicContact CD2-CD1 4.21Å; L59-Y124 HydrophobicContact CD2-CD2 4.38Å; L59-Y124 HydrophobicContact CD2-CE1 4.04Å; L59-Y124 HydrophobicContact CD2-CE2 4.22Å; L59-Y124 HydrophobicContact CD2-CG 4.37Å; L59-Y124 HydrophobicContact CG-CD1 4.29Å; L59-Y124 HydrophobicContact CG-CE1 3.7Å; L59-Y124 HydrophobicContact CG-CE2 4.43Å
60A98.4Very high96.3Very high3 Ų346.5 Ų46.53%0.02523%0.23CC..  trans-62.6155.5176.600000111.7V62 E87 D89 Y124A60-V62 VanDerWaalsContact C-N 3.27Å; A60-V62 PolarHBondContact O-N 2.85Å; A60-E87 HydrophobicContact CB-CB 3.96Å; A60-D89 HydrophobicContact CB-CB 3.88Å; A60-D89 VanDerWaalsContact CB-OD2 3.27Å; A60-D89 WeakPolarHBondContact CB-OD2 3.36Å; A60-D89 PolarHBondContact N-OD2 3.39Å; A60-Y124 HydrophobicContact CB-CE1 4.5Å; A60-Y124 WeakPolarHBondContact O-CD1 3.35Å; A60-Y124 VanDerWaalsContact O-CE1 3.31Å; A60-Y124 WeakPolarHBondContact O-CE1 3.28Å
61P98.3Very high96.2Very high6 Ų643.3 Ų43.34%0.03922%0.215CC..SBendtrans-71.5-25.2176.128.3-30.7000112.4I86 E87 F126 D191P61-I86 HydrophobicContact CG-CD1 3.93Å; P61-I86 HydrophobicContact CG-CG1 3.91Å; P61-E87 WeakPolarHBondContact CD-O 3.31Å; P61-F126 HydrophobicContact CB-CD2 4.29Å; P61-F126 WeakPolarHBondContact O-CD2 3.32Å; P61-F126 PolarHBondContact O-N 2.88Å; P61-F126 VanDerWaalsContact O-N 3.12Å; P61-D191 HydrophobicContact CB-CB 4.38Å
62V98.8Very high96.1Very high0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-117.8128.7-172.9-176.40000110.9A60 I86 V88 D89 F126 L128 L187A60-V62 VanDerWaalsContact C-N 3.27Å; A60-V62 PolarHBondContact O-N 2.85Å; V62-I86 HydrophobicContact CG2-CD1 3.8Å; V62-I86 HydrophobicContact CG2-CG1 4.36Å; V62-V88 HydrophobicContact CB-CG1 4.5Å; V62-V88 HydrophobicContact CB-CG2 4.15Å; V62-V88 HydrophobicContact CG1-CG1 4.18Å; V62-V88 HydrophobicContact CG1-CG2 4.17Å; V62-V88 WeakPolarHBondContact O-CA 3.32Å; V62-D89 PolarHBondContact O-N 2.8Å; V62-F126 HydrophobicContact CB-CB 4.46Å; V62-F126 HydrophobicContact CG1-CB 4.49Å; V62-F126 HydrophobicContact CG2-CB 4.04Å; V62-F126 HydrophobicContact CG2-CD2 4.19Å; V62-F126 HydrophobicContact CG2-CG 4.48Å; V62-L128 HydrophobicContact CG1-CD1 4.08Å; V62-L128 HydrophobicContact CG1-CD2 3.68Å; V62-L128 HydrophobicContact CG1-CG 3.51Å; V62-L187 HydrophobicContact CG2-CD1 4.1Å
63L98.4Very high96Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-95.4133.7171.6176.762.6000111.6M65 Y91 F120 V121 Y124 F126 L128L63-M65 HydrophobicContact CD1-CB 4.38Å; L63-M65 HydrophobicContact CD1-CE 4.17Å; L63-M65 HydrophobicContact CD2-CB 4.46Å; L63-M65 HydrophobicContact CG-CB 4.3Å; L63-Y91 HydrophobicContact CD1-CD2 3.42Å; L63-Y91 VanDerWaalsContact CD1-CD2 3.42Å; L63-Y91 HydrophobicContact CD1-CE2 3.65Å; L63-F120 HydrophobicContact CD1-CE1 4.48Å; L63-V121 HydrophobicContact CD2-CB 4.19Å; L63-V121 HydrophobicContact CD2-CG1 3.94Å; L63-V121 HydrophobicContact CD2-CG2 3.98Å; L63-Y124 HydrophobicContact CB-CD1 3.77Å; L63-Y124 HydrophobicContact CB-CD2 3.83Å; L63-Y124 HydrophobicContact CB-CE1 4.19Å; L63-Y124 HydrophobicContact CB-CE2 4.25Å; L63-Y124 HydrophobicContact CB-CG 3.58Å; L63-Y124 HydrophobicContact CD1-CD2 4.18Å; L63-Y124 HydrophobicContact CD1-CE2 3.83Å; L63-Y124 HydrophobicContact CD2-CD2 3.91Å; L63-Y124 HydrophobicContact CD2-CE2 4.31Å; L63-Y124 HydrophobicContact CD2-CG 4.43Å; L63-Y124 HydrophobicContact CG-CD2 4.2Å; L63-Y124 HydrophobicContact CG-CE2 4.36Å; L63-Y124 HydrophobicContact CG-CG 4.44Å; L63-F126 PolarHBondContact N-O 2.74Å; L63-L128 PolarHBondContact O-N 2.94Å
64Y97.7Very high95.9Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-120.1113.8163-171.1-134.2000110.1Q66 D76 V79 D89 S90 Y91 C94 L95 L128 L130Y64-Q66 HydrophobicContact CD2-CG 3.83Å; Y64-Q66 HydrophobicContact CE1-CB 4.3Å; Y64-Q66 HydrophobicContact CE1-CG 4.26Å; Y64-Q66 HydrophobicContact CE2-CB 4.1Å; Y64-Q66 HydrophobicContact CE2-CG 3.19Å; Y64-Q66 VanDerWaalsContact CZ-CG 3.42Å; Y64-D76 WeakPolarHBondContact CE1-OD1 3.19Å; Y64-D76 PolarHBondContact OH-OD1 3.32Å; Y64-V79 HydrophobicContact CD1-CG1 3.93Å; Y64-V79 HydrophobicContact CD1-CG2 4.49Å; Y64-V79 HydrophobicContact CD2-CG2 4.28Å; Y64-V79 HydrophobicContact CE1-CB 4.43Å; Y64-V79 HydrophobicContact CE1-CG1 4.26Å; Y64-V79 HydrophobicContact CE1-CG2 4.27Å; Y64-V79 HydrophobicContact CE2-CG2 4Å; Y64-V79 HydrophobicContact CG-CG1 4.23Å; Y64-D89 PolarHBondContact N-O 2.72Å; Y64-S90 VanDerWaalsContact CD1-OG 3.31Å; Y64-S90 WeakPolarHBondContact CD1-OG 3.16Å; Y64-S90 CarbonylContact O-C 3.57Å; Y64-S90 VanDerWaalsContact O-CA 3.28Å; Y64-S90 WeakPolarHBondContact O-CA 3.42Å; Y64-Y91 PolarHBondContact O-N 2.73Å; Y64-C94 HydrophobicContact CE1-CB 4.16Å; Y64-L95 HydrophobicContact CD1-CD1 4.19Å; Y64-L95 HydrophobicContact CE1-CD1 4.03Å; Y64-L95 HydrophobicContact CE1-CG 4.31Å; Y64-L128 HydrophobicContact CD2-CB 3.81Å; Y64-L128 HydrophobicContact CD2-CD1 3.99Å; Y64-L128 HydrophobicContact CD2-CG 4.49Å; Y64-L128 HydrophobicContact CG-CD1 4.18Å; Y64-L130 HydrophobicContact CE2-CD1 3.98Å
65M93.1Very high95.8Very high20 Ų2038 Ų3810%0.09919%0.194CC..EExtended strand (participates in β ladder)trans-123.391.1-175.7-177.769.17100109.8L63 Y91 L100 F117 F120L63-M65 HydrophobicContact CD1-CB 4.38Å; L63-M65 HydrophobicContact CD1-CE 4.17Å; L63-M65 HydrophobicContact CD2-CB 4.46Å; L63-M65 HydrophobicContact CG-CB 4.3Å; M65-Y91 HydrophobicContact CE-CD2 4.06Å; M65-Y91 HydrophobicContact CE-CG 3.98Å; M65-Y91 VanDerWaalsContact SD-CB 3.54Å; M65-L100 HydrophobicContact CE-CD2 3.75Å; M65-L100 HydrophobicContact SD-CD1 4.48Å; M65-L100 HydrophobicContact SD-CD2 4.08Å; M65-F117 HydrophobicContact CE-CE2 3.91Å; M65-F117 HydrophobicContact CE-CZ 4.45Å; M65-F117 HydrophobicContact CG-CE2 4.06Å; M65-F117 HydrophobicContact CG-CZ 3.87Å; M65-F117 HydrophobicContact SD-CE2 4Å; M65-F117 HydrophobicContact SD-CZ 4.43Å; M65-F120 HydrophobicContact CE-CD1 4.01Å; M65-F120 HydrophobicContact CE-CE1 3.53Å; M65-F120 HydrophobicContact CE-CZ 4.43Å
66Q91.8Very high95.8Very high13 Ų1335.4 Ų35.46%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-141.9139-176.1-62.2-59.3-23.500112.9Y64 R75 Y91 G92 K93 C94Y64-Q66 HydrophobicContact CD2-CG 3.83Å; Y64-Q66 HydrophobicContact CE1-CB 4.3Å; Y64-Q66 HydrophobicContact CE1-CG 4.26Å; Y64-Q66 HydrophobicContact CE2-CB 4.1Å; Y64-Q66 HydrophobicContact CE2-CG 3.19Å; Y64-Q66 VanDerWaalsContact CZ-CG 3.42Å; Q66-R75 VanDerWaalsContact CD-CZ 3.41Å; Q66-Y91 PolarHBondContact N-O 2.6Å; Q66-G92 CarbonylContact O-C 3.34Å; Q66-K93 PolarHBondContact O-N 3.35Å; Q66-C94 HydrophobicContact CB-CB 4.13Å; Q66-C94 PolarHBondContact O-N 3.3Å; Q66-C94 PolarHBondContact O-SG 2.99Å
67S90.1Very high95.8Very high48 Ų4828.7 Ų28.734%0.33616%0.16SC..SBendtrans-121.3-5.1177.5-65.70000114.2K93S67-K93 PolarHBondContact OG-N 3.16Å
68H91.3Very high95.8Very high81 Ų8123.4 Ų23.438%0.37514%0.135SC..  trans-107102174-161.9121.8000108.5N2 V71 R75N2-H68 PolarHBondContact ND2-CE1 3.14Å; N2-H68 PolarHBondContact ND2-NE2 2.94Å; H68-V71 HydrophobicContact CB-CG1 4.38Å; H68-V71 WeakPolarHBondContact CD2-CG1 3.33Å; H68-V71 WeakPolarHBondContact O-CG1 3.5Å; H68-R75 PolarHBondContact O-NH2 3.39Å
69C92.9Very high95.9Very high38 Ų3821.4 Ų21.426%0.25711%0.114SC..  trans-98.8171.8-174.9-39.20000110.3V71 D76 K93 C94C69-V71 PolarHBondContact O-N 2.69Å; C69-D76 WeakPolarHBondContact CA-OD2 3.49Å; C69-K93 VanDerWaalsContact SG-C 3.59Å; C69-C94 WeakPolarHBondContact CA-SG 3.38Å; C69-C94 HydrophobicContact CB-CB 4.02Å; C69-C94 WeakPolarHBondContact CB-SG 3.37Å; C69-C94 PolarHBondContact N-SG 2.97Å; C69-C94 WeakPolarHBondContact SG-CA 3.43Å; C69-C94 WeakPolarHBondContact SG-CB 3.42Å; C69-C94 PolarHBondContact SG-N 2.85Å; C69-C94 CovalentContact SG-SG 2.05Å; C69-C94 PolarHBondContact SG-SG 3.45Å
70D92.4Very high96Very high125 Ų12526.1 Ų26.167%0.66813%0.131SC*.SBendtrans56.537.7176.7-55.2-48000113.3D76 W300D70-D76 PolarHBondContact N-OD2 3.26Å; D70-W300 WeakPolarHBondContact O-CZ2 3.44Å; D70-W300 PolarHBondContact O-NE1 3.22Å
71V95.5Very high96Very high0 Ų027.2 Ų27.20%014%0.135CC..  trans-80.2162.4-176.3-68.30000113.2H68 C69 S73 D74 R75 N132 W296H68-V71 HydrophobicContact CB-CG1 4.38Å; H68-V71 WeakPolarHBondContact CD2-CG1 3.33Å; H68-V71 WeakPolarHBondContact O-CG1 3.5Å; C69-V71 PolarHBondContact O-N 2.69Å; V71-S73 VanDerWaalsContact CG2-OG 3.29Å; V71-S73 WeakPolarHBondContact CG2-OG 3.42Å; V71-S73 PolarHBondContact O-N 2.93Å; V71-S73 VanDerWaalsContact O-N 3.15Å; V71-D74 PolarHBondContact O-N 3.2Å; V71-R75 HydrophobicContact CG2-CG 3.64Å; V71-N132 HydrophobicContact CB-CB 4.1Å; V71-N132 WeakPolarHBondContact CB-O 3.43Å; V71-N132 HydrophobicContact CG1-CB 3.9Å; V71-W296 PolarHBondContact O-NE1 3.38Å
72P96.2Very high96Very high2 Ų227 Ų271%0.01313%0.133CC..THydrogen-bonded Turntrans-56-31.9177.6-20.123.8000114.9Y4 D74 N132 P280 W296 W300Y4-P72 HydrophobicContact CE2-CB 4.48Å; Y4-P72 HydrophobicContact CE2-CG 4.26Å; Y4-P72 WeakPolarHBondContact OH-CB 3.45Å; Y4-P72 WeakPolarHBondContact OH-CG 3.23Å; P72-D74 PolarHBondContact O-N 3.37Å; P72-N132 WeakPolarHBondContact CD-O 3.22Å; P72-P280 HydrophobicContact CB-CB 4.13Å; P72-P280 HydrophobicContact CB-CG 3.92Å; P72-W296 VanDerWaalsContact O-CZ2 3.32Å; P72-W296 WeakPolarHBondContact O-CZ2 3.47Å; P72-W296 PolarHBondContact O-NE1 3.31Å; P72-W300 HydrophobicContact CB-CD2 4.06Å; P72-W300 HydrophobicContact CB-CE3 4.09Å; P72-W300 HydrophobicContact CB-CG 4.48Å; P72-W300 VanDerWaalsContact CD-CZ2 3.47Å; P72-W300 HydrophobicContact CG-CD2 3.87Å; P72-W300 HydrophobicContact CG-CE3 3.59Å; P72-W300 HydrophobicContact CG-CH2 3.77Å; P72-W300 HydrophobicContact CG-CZ2 4.03Å; P72-W300 HydrophobicContact CG-CZ3 3.55Å
73S96.2Very high96Very high8 Ų829.8 Ų29.86%0.05615%0.147CC..THydrogen-bonded Turntrans-69.6-9.7176.763.70000114.3V71 R75 E131 N132V71-S73 VanDerWaalsContact CG2-OG 3.29Å; V71-S73 WeakPolarHBondContact CG2-OG 3.42Å; V71-S73 PolarHBondContact O-N 2.93Å; V71-S73 VanDerWaalsContact O-N 3.15Å; S73-R75 PolarHBondContact O-N 3.17Å; S73-E131 VanDerWaalsContact CB-O 3.28Å; S73-E131 WeakPolarHBondContact CB-O 3.29Å; S73-E131 PolarHBondContact OG-O 3.41Å; S73-N132 WeakPolarHBondContact CB-O 3.47Å; S73-N132 PolarHBondContact N-O 3.2Å; S73-N132 PolarHBondContact OG-O 3.21Å
74D97.1Very high96Very high11 Ų1136.6 Ų36.66%0.05918%0.177CC..  trans51.528.9-178.9-167.633.2000112.9V71 P72 D76 R77 G283 W296V71-D74 PolarHBondContact O-N 3.2Å; P72-D74 PolarHBondContact O-N 3.37Å; D74-D76 PolarHBondContact O-N 3.22Å; D74-D76 VanDerWaalsContact O-N 3.16Å; D74-R77 WeakPolarHBondContact O-CB 3.37Å; D74-R77 PolarHBondContact O-N 3.2Å; D74-R77 WeakPolarHBondContact OD1-CB 3.4Å; D74-R77 IonicContact OD1-CZ 2.66Å; D74-R77 IonicContact OD1-NE 2.71Å; D74-R77 PolarHBondContact OD1-NE 2.8Å; D74-R77 IonicContact OD1-NH2 2.89Å; D74-R77 WeakPolarHBondContact OD2-CB 3.47Å; D74-R77 VanDerWaalsContact OD2-CD 3.23Å; D74-R77 WeakPolarHBondContact OD2-CD 3.4Å; D74-R77 IonicContact OD2-CZ 3.69Å; D74-R77 IonicContact OD2-NE 3.36Å; D74-R77 PolarHBondContact OD2-NE 2.88Å; D74-R77 IonicContact OD2-NH2 3.51Å; D74-G283 VanDerWaalsContact CB-N 3.25Å; D74-G283 PolarHBondContact OD2-N 2.71Å; D74-W296 HydrophobicContact CB-CD2 4.28Å; D74-W296 HydrophobicContact CB-CG 4.17Å; D74-W296 HydrophobicContact CB-CZ2 4.46Å
75R97.1Very high96Very high4 Ų440.2 Ų40.22%0.01519%0.191CC..Hα-helixtrans-55.9-35.6-173.661.1-176.9179.1175.65.9112.8Q66 H68 V71 S73 R77 Y78 V79 L130 N132Q66-R75 VanDerWaalsContact CD-CZ 3.41Å; H68-R75 PolarHBondContact O-NH2 3.39Å; V71-R75 HydrophobicContact CG2-CG 3.64Å; S73-R75 PolarHBondContact O-N 3.17Å; R75-R77 VanDerWaalsContact C-N 3.25Å; R75-R77 PolarHBondContact O-N 2.95Å; R75-Y78 WeakPolarHBondContact O-CB 3.48Å; R75-Y78 PolarHBondContact O-N 3.25Å; R75-Y78 VanDerWaalsContact O-N 3.11Å; R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 3.22Å; R75-L130 HydrophobicContact CB-CB 3.96Å; R75-L130 HydrophobicContact CB-CD1 3.8Å; R75-L130 HydrophobicContact CG-CB 4.43Å; R75-L130 PolarHBondContact NH1-O 3.18Å; R75-N132 PolarHBondContact NH1-OD1 3.1Å; R75-N132 VanDerWaalsContact NH1-OD1 3.16Å; R75-N132 PolarHBondContact NH2-OD1 3.07Å
76D97.4Very high96.3Very high13 Ų1339.7 Ų39.77%0.0719%0.188CC..Hα-helixtrans-64.2-30.4-179.3-63.4-40.2000112Y64 C69 D70 D74 R80Y64-D76 WeakPolarHBondContact CE1-OD1 3.19Å; Y64-D76 PolarHBondContact OH-OD1 3.32Å; C69-D76 WeakPolarHBondContact CA-OD2 3.49Å; D70-D76 PolarHBondContact N-OD2 3.26Å; D74-D76 PolarHBondContact O-N 3.22Å; D74-D76 VanDerWaalsContact O-N 3.16Å; D76-R80 WeakPolarHBondContact O-CB 3.43Å; D76-R80 VanDerWaalsContact O-CG 3.32Å; D76-R80 WeakPolarHBondContact O-CG 3.5Å; D76-R80 PolarHBondContact O-N 3.04Å; D76-R80 PolarHBondContact O-NE 3.37Å
77R97.3Very high96.6Very high41 Ų4144.5 Ų44.516%0.15521%0.211CC..Hα-helixtrans-66-45.4172.5-172-177.2-52-98.6-3.1111.4D74 R75 R80 E81 D294D74-R77 WeakPolarHBondContact O-CB 3.37Å; D74-R77 PolarHBondContact O-N 3.2Å; D74-R77 WeakPolarHBondContact OD1-CB 3.4Å; D74-R77 IonicContact OD1-CZ 2.66Å; D74-R77 IonicContact OD1-NE 2.71Å; D74-R77 PolarHBondContact OD1-NE 2.8Å; D74-R77 IonicContact OD1-NH2 2.89Å; D74-R77 WeakPolarHBondContact OD2-CB 3.47Å; D74-R77 VanDerWaalsContact OD2-CD 3.23Å; D74-R77 WeakPolarHBondContact OD2-CD 3.4Å; D74-R77 IonicContact OD2-CZ 3.69Å; D74-R77 IonicContact OD2-NE 3.36Å; D74-R77 PolarHBondContact OD2-NE 2.88Å; D74-R77 IonicContact OD2-NH2 3.51Å; R75-R77 VanDerWaalsContact C-N 3.25Å; R75-R77 PolarHBondContact O-N 2.95Å; R77-R80 PolarHBondContact O-N 3.16Å; R77-E81 PolarHBondContact O-N 3.21Å; R77-D294 IonicContact CZ-OD1 2.96Å; R77-D294 IonicContact CZ-OD2 3.83Å; R77-D294 VanDerWaalsContact CZ-OD2 3.26Å; R77-D294 IonicContact NH1-OD2 3.34Å; R77-D294 PolarHBondContact NH1-OD2 3.07Å; R77-D294 VanDerWaalsContact NH2-CG 3.28Å; R77-D294 IonicContact NH2-OD1 3.47Å; R77-D294 PolarHBondContact NH2-OD1 3.43Å; R77-D294 IonicContact NH2-OD2 3.62Å; R77-D294 PolarHBondContact NH2-OD2 2.9Å
78Y98.3Very high97Very high12 Ų1242.4 Ų42.45%0.04720%0.196CC..Hα-helixtrans-61.6-45.8176.4-173.8-87.4000111.4R75 R80 E81 L82 I174 P180 L183 G283 Y284R75-Y78 WeakPolarHBondContact O-CB 3.48Å; R75-Y78 PolarHBondContact O-N 3.25Å; R75-Y78 VanDerWaalsContact O-N 3.11Å; Y78-R80 PolarHBondContact O-N 2.87Å; Y78-E81 PolarHBondContact O-N 3.35Å; Y78-L82 HydrophobicContact CE1-CB 4.48Å; Y78-L82 HydrophobicContact CE1-CD2 4.45Å; Y78-L82 PolarHBondContact O-N 3.17Å; Y78-I174 HydrophobicContact CD1-CD1 4.47Å; Y78-I174 HydrophobicContact CD1-CG2 4.49Å; Y78-I174 HydrophobicContact CD2-CG2 4.44Å; Y78-I174 HydrophobicContact CE1-CD1 4.06Å; Y78-I174 HydrophobicContact CE1-CG1 4.34Å; Y78-I174 HydrophobicContact CE1-CG2 3.77Å; Y78-I174 HydrophobicContact CE2-CG2 3.69Å; Y78-I174 WeakPolarHBondContact OH-CG2 3.5Å; Y78-P180 HydrophobicContact CD2-CG 4.14Å; Y78-P180 HydrophobicContact CE2-CB 4.44Å; Y78-P180 HydrophobicContact CE2-CG 3.65Å; Y78-L183 HydrophobicContact CE1-CD2 3.98Å; Y78-L183 VanDerWaalsContact OH-CD2 3.23Å; Y78-L183 WeakPolarHBondContact OH-CD2 3.44Å; Y78-G283 VanDerWaalsContact CD2-O 3.27Å; Y78-G283 WeakPolarHBondContact CD2-O 3.36Å; Y78-Y284 HydrophobicContact CD2-CD2 4.41Å
79V98.6Very high97.4Very high0 Ų038.9 Ų38.90%018%0.18CC..Hα-helixtrans-63.5-41.8-179.7-179.80000111.5Y64 R75 E81 L82 M83 L95 L128 L130Y64-V79 HydrophobicContact CD1-CG1 3.93Å; Y64-V79 HydrophobicContact CD1-CG2 4.49Å; Y64-V79 HydrophobicContact CD2-CG2 4.28Å; Y64-V79 HydrophobicContact CE1-CB 4.43Å; Y64-V79 HydrophobicContact CE1-CG1 4.26Å; Y64-V79 HydrophobicContact CE1-CG2 4.27Å; Y64-V79 HydrophobicContact CE2-CG2 4Å; Y64-V79 HydrophobicContact CG-CG1 4.23Å; R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 3.22Å; V79-E81 VanDerWaalsContact C-N 3.26Å; V79-E81 PolarHBondContact O-N 3.28Å; V79-L82 WeakPolarHBondContact O-CB 3.31Å; V79-L82 PolarHBondContact O-N 2.91Å; V79-L82 VanDerWaalsContact O-N 3.13Å; V79-M83 HydrophobicContact CG1-CG 4.17Å; V79-M83 HydrophobicContact CG1-SD 4.06Å; V79-M83 VanDerWaalsContact O-CG 3.24Å; V79-M83 WeakPolarHBondContact O-CG 3.25Å; V79-M83 PolarHBondContact O-N 3.17Å; V79-L95 HydrophobicContact CB-CD1 3.85Å; V79-L95 HydrophobicContact CG1-CD1 3.55Å; V79-L128 HydrophobicContact CB-CD1 4.45Å; V79-L128 HydrophobicContact CG1-CD1 3.9Å; V79-L128 HydrophobicContact CG2-CD1 3.71Å; V79-L130 HydrophobicContact CG2-CD1 3.47Å; V79-L130 VanDerWaalsContact CG2-CD1 3.47Å
80R98.4Very high97.6Very high124 Ų12437 Ų3747%0.46817%0.168SC..Hα-helixtrans-57.3-38.3174.3-78.5-179-69.2141.2-7.8113D76 R77 Y78 L95D76-R80 WeakPolarHBondContact O-CB 3.43Å; D76-R80 VanDerWaalsContact O-CG 3.32Å; D76-R80 WeakPolarHBondContact O-CG 3.5Å; D76-R80 PolarHBondContact O-N 3.04Å; D76-R80 PolarHBondContact O-NE 3.37Å; R77-R80 PolarHBondContact O-N 3.16Å; Y78-R80 PolarHBondContact O-N 2.87Å; R80-L95 HydrophobicContact CG-CD1 4.03Å; R80-L95 HydrophobicContact CG-CD2 3.51Å; R80-L95 HydrophobicContact CG-CG 4.45Å
81E98.4Very high97.7Very high26 Ų2631.9 Ų31.912%0.12114%0.139CC..Hα-helixtrans-70.6-43.4175.2-173.162-151.700111.5R77 Y78 V79 M83 K84 Y85 P180 Y284R77-E81 PolarHBondContact O-N 3.21Å; Y78-E81 PolarHBondContact O-N 3.35Å; V79-E81 VanDerWaalsContact C-N 3.26Å; V79-E81 PolarHBondContact O-N 3.28Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 2.95Å; E81-K84 WeakPolarHBondContact O-CB 3.2Å; E81-K84 PolarHBondContact O-N 3.39Å; E81-K84 IonicContact OE1-NZ 3.96Å; E81-K84 WeakPolarHBondContact OE2-CE 3.21Å; E81-K84 IonicContact OE2-NZ 3.27Å; E81-K84 PolarHBondContact OE2-NZ 3.11Å; E81-Y85 HydrophobicContact CG-CE2 4.22Å; E81-Y85 VanDerWaalsContact O-CD2 3.29Å; E81-Y85 WeakPolarHBondContact O-CD2 3.49Å; E81-Y85 WeakPolarHBondContact O-CE2 3.32Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.38Å; E81-Y85 PolarHBondContact OE1-OH 2.81Å; E81-P180 HydrophobicContact CB-CB 4.33Å; E81-P180 HydrophobicContact CB-CG 4.08Å; E81-P180 HydrophobicContact CG-CB 3.93Å; E81-P180 HydrophobicContact CG-CG 3.67Å; E81-Y284 HydrophobicContact CB-CD1 4.09Å; E81-Y284 HydrophobicContact CB-CE1 4.26Å; E81-Y284 HydrophobicContact CG-CD1 3.93Å; E81-Y284 HydrophobicContact CG-CE1 3.59Å
82L98.8Very high97.4Very high0 Ų032.3 Ų32.30%014%0.143CC..Hα-helixtrans-58.7-41177.4-178.564000112.4Y78 V79 K84 Y85 I86 L128 P180 L183 A184Y78-L82 HydrophobicContact CE1-CB 4.48Å; Y78-L82 HydrophobicContact CE1-CD2 4.45Å; Y78-L82 PolarHBondContact O-N 3.17Å; V79-L82 WeakPolarHBondContact O-CB 3.31Å; V79-L82 PolarHBondContact O-N 2.91Å; V79-L82 VanDerWaalsContact O-N 3.13Å; L82-K84 PolarHBondContact O-N 2.94Å; L82-Y85 PolarHBondContact O-N 3.25Å; L82-I86 HydrophobicContact CD1-CG2 3.8Å; L82-I86 HydrophobicContact CD2-CG2 4.46Å; L82-I86 HydrophobicContact CG-CG2 3.78Å; L82-I86 PolarHBondContact O-N 2.93Å; L82-L128 HydrophobicContact CD2-CD1 4.21Å; L82-L128 HydrophobicContact CD2-CD2 4.01Å; L82-P180 HydrophobicContact CB-CB 4.26Å; L82-P180 HydrophobicContact CD1-CB 4.35Å; L82-P180 VanDerWaalsContact CD1-O 3.27Å; L82-P180 WeakPolarHBondContact CD1-O 3.41Å; L82-L183 HydrophobicContact CD1-CB 4.49Å; L82-L183 HydrophobicContact CD1-CD2 4.18Å; L82-L183 HydrophobicContact CD1-CG 4.33Å; L82-L183 HydrophobicContact CD2-CD2 4.35Å; L82-A184 HydrophobicContact CD1-CB 3.89Å
83M98.8Very high97.2Very high60 Ų6039.3 Ų39.330%0.29617%0.174SC..THydrogen-bonded Turntrans-59.5-17.8179.6-74.817682.200114.1V79 E81 Y85 I86 V88 L95 N97V79-M83 HydrophobicContact CG1-CG 4.17Å; V79-M83 HydrophobicContact CG1-SD 4.06Å; V79-M83 VanDerWaalsContact O-CG 3.24Å; V79-M83 WeakPolarHBondContact O-CG 3.25Å; V79-M83 PolarHBondContact O-N 3.17Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 2.95Å; M83-Y85 PolarHBondContact O-N 2.92Å; M83-I86 WeakPolarHBondContact CA-O 3.37Å; M83-V88 HydrophobicContact CG-CB 3.84Å; M83-V88 HydrophobicContact CG-CG2 3.82Å; M83-L95 HydrophobicContact SD-CD1 3.83Å; M83-N97 WeakPolarHBondContact CE-ND2 3.27Å
84K98.7Very high97.1Very high142 Ų14239 Ų3962%0.61717%0.172SC*.THydrogen-bonded Turntrans-71.4-21173.1-60.7176.2-177.5173.20112.8E81 L82E81-K84 WeakPolarHBondContact O-CB 3.2Å; E81-K84 PolarHBondContact O-N 3.39Å; E81-K84 IonicContact OE1-NZ 3.96Å; E81-K84 WeakPolarHBondContact OE2-CE 3.21Å; E81-K84 IonicContact OE2-NZ 3.27Å; E81-K84 PolarHBondContact OE2-NZ 3.11Å; L82-K84 PolarHBondContact O-N 2.94Å
85Y98.8Very high97.1Very high76 Ų7641.6 Ų41.630%0.29819%0.185SC..THydrogen-bonded Turntrans-118.5-16.9-170.2-52-71.7000113.6E81 L82 M83 K181 A184 K188E81-Y85 HydrophobicContact CG-CE2 4.22Å; E81-Y85 VanDerWaalsContact O-CD2 3.29Å; E81-Y85 WeakPolarHBondContact O-CD2 3.49Å; E81-Y85 WeakPolarHBondContact O-CE2 3.32Å; E81-Y85 WeakPolarHBondContact OE1-CE2 3.38Å; E81-Y85 PolarHBondContact OE1-OH 2.81Å; L82-Y85 PolarHBondContact O-N 3.25Å; M83-Y85 PolarHBondContact O-N 2.92Å; Y85-K181 HydrophobicContact CD1-CB 3.92Å; Y85-K181 HydrophobicContact CD1-CD 4.06Å; Y85-K181 HydrophobicContact CD1-CG 3.63Å; Y85-K181 HydrophobicContact CD2-CB 3.92Å; Y85-K181 HydrophobicContact CD2-CG 4.47Å; Y85-K181 HydrophobicContact CE1-CB 3.95Å; Y85-K181 HydrophobicContact CE1-CD 3.94Å; Y85-K181 HydrophobicContact CE1-CG 3.89Å; Y85-K181 HydrophobicContact CE2-CB 3.96Å; Y85-K181 HydrophobicContact CG-CB 3.9Å; Y85-K181 HydrophobicContact CG-CG 3.95Å; Y85-A184 VanDerWaalsContact CB-CB 3.41Å; Y85-K188 WeakPolarHBondContact O-CE 3.17Å; Y85-K188 PolarHBondContact O-NZ 3.01Å
86I98.8Very high96.9Very high9 Ų945.5 Ų45.55%0.04621%0.206CC..SBendtrans-148.6147.1176.4-171.3168000110.2P61 V62 L82 M83 V88 A184 L187 K188P61-I86 HydrophobicContact CG-CD1 3.93Å; P61-I86 HydrophobicContact CG-CG1 3.91Å; V62-I86 HydrophobicContact CG2-CD1 3.8Å; V62-I86 HydrophobicContact CG2-CG1 4.36Å; L82-I86 HydrophobicContact CD1-CG2 3.8Å; L82-I86 HydrophobicContact CD2-CG2 4.46Å; L82-I86 HydrophobicContact CG-CG2 3.78Å; L82-I86 PolarHBondContact O-N 2.93Å; M83-I86 WeakPolarHBondContact CA-O 3.37Å; I86-V88 HydrophobicContact CG2-CG2 4.29Å; I86-V88 PolarHBondContact O-N 2.86Å; I86-A184 HydrophobicContact CB-CB 3.9Å; I86-A184 HydrophobicContact CG2-CB 3.86Å; I86-L187 HydrophobicContact CD1-CB 3.73Å; I86-L187 HydrophobicContact CD1-CD1 4.44Å; I86-K188 HydrophobicContact CD1-CG 4.1Å; I86-K188 HydrophobicContact CG1-CG 4.39Å
87E98.5Very high96.9Very high115 Ų11548.4 Ų48.454%0.53722%0.222SC..  trans-66.5130.4174.1-63.5-179.1128.800110.1R55 A60 P61R55-E87 IonicContact CZ-OE2 3.48Å; R55-E87 IonicContact NH1-OE2 3.02Å; R55-E87 PolarHBondContact NH1-OE2 2.89Å; R55-E87 VanDerWaalsContact NH1-OE2 3.08Å; R55-E87 IonicContact NH2-OE2 3.04Å; R55-E87 PolarHBondContact NH2-OE2 3.12Å; A60-E87 HydrophobicContact CB-CB 3.96Å; P61-E87 WeakPolarHBondContact CD-O 3.31Å
88V98.8Very high96.8Very high4 Ų451.2 Ų51.22%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-129.2121174.6-177.40000107.5V62 M83 I86 N97 L128V62-V88 HydrophobicContact CB-CG1 4.5Å; V62-V88 HydrophobicContact CB-CG2 4.15Å; V62-V88 HydrophobicContact CG1-CG1 4.18Å; V62-V88 HydrophobicContact CG1-CG2 4.17Å; V62-V88 WeakPolarHBondContact O-CA 3.32Å; M83-V88 HydrophobicContact CG-CB 3.84Å; M83-V88 HydrophobicContact CG-CG2 3.82Å; I86-V88 HydrophobicContact CG2-CG2 4.29Å; I86-V88 PolarHBondContact O-N 2.86Å; V88-N97 PolarHBondContact O-ND2 3.23Å; V88-L128 HydrophobicContact CG1-CD1 4.15Å
89D98.6Very high96.4Very high6 Ų655.6 Ų55.63%0.03226%0.263CS..EExtended strand (participates in β ladder)trans-85.2116.3169.3-76.5-26.8000108.2A60 V62 Y64 Y91 R98 Y124A60-D89 HydrophobicContact CB-CB 3.88Å; A60-D89 VanDerWaalsContact CB-OD2 3.27Å; A60-D89 WeakPolarHBondContact CB-OD2 3.36Å; A60-D89 PolarHBondContact N-OD2 3.39Å; V62-D89 PolarHBondContact O-N 2.8Å; Y64-D89 PolarHBondContact N-O 2.72Å; D89-Y91 HydrophobicContact CB-CD2 4.49Å; D89-Y91 HydrophobicContact CB-CE2 3.66Å; D89-R98 HydrophobicContact CB-CG 3.95Å; D89-R98 WeakPolarHBondContact OD1-CG 3.43Å; D89-R98 IonicContact OD1-CZ 3.07Å; D89-R98 IonicContact OD1-NE 2.74Å; D89-R98 PolarHBondContact OD1-NE 2.89Å; D89-R98 IonicContact OD1-NH2 2.62Å; D89-R98 PolarHBondContact OD1-NH2 3.4Å; D89-R98 IonicContact OD2-NH2 3.78Å; D89-Y124 HydrophobicContact CB-CE1 3.93Å; D89-Y124 WeakPolarHBondContact CB-OH 3.49Å; D89-Y124 PolarHBondContact OD2-OH 3.32Å
90S97.4Very high95.7Very high0 Ų057.2 Ų57.20%027%0.271CS..EExtended strand (participates in β ladder)trans-110.8116.5-174.8-169.60000110.8Y64 C94 N96 N97 R98Y64-S90 VanDerWaalsContact CD1-OG 3.31Å; Y64-S90 WeakPolarHBondContact CD1-OG 3.16Å; Y64-S90 CarbonylContact O-C 3.57Å; Y64-S90 VanDerWaalsContact O-CA 3.28Å; Y64-S90 WeakPolarHBondContact O-CA 3.42Å; S90-C94 PolarHBondContact OG-O 3.1Å; S90-N96 WeakPolarHBondContact O-CA 3.36Å; S90-N97 WeakPolarHBondContact CA-OD1 3.45Å; S90-N97 WeakPolarHBondContact CB-OD1 3.38Å; S90-N97 PolarHBondContact N-OD1 2.98Å; S90-N97 PolarHBondContact O-N 3.12Å; S90-N97 VanDerWaalsContact O-N 3.11Å; S90-N97 PolarHBondContact O-OD1 3.16Å; S90-R98 PolarHBondContact O-N 3.09Å; S90-R98 VanDerWaalsContact O-N 3.14Å
91Y93.9Very high95Very high16 Ų1653.3 Ų53.36%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-118.3164.7179.5-59.7-88.5000110.8L63 Y64 M65 Q66 D89 R98 P99 L100 F120 Y124L63-Y91 HydrophobicContact CD1-CD2 3.42Å; L63-Y91 VanDerWaalsContact CD1-CD2 3.42Å; L63-Y91 HydrophobicContact CD1-CE2 3.65Å; Y64-Y91 PolarHBondContact O-N 2.73Å; M65-Y91 HydrophobicContact CE-CD2 4.06Å; M65-Y91 HydrophobicContact CE-CG 3.98Å; M65-Y91 VanDerWaalsContact SD-CB 3.54Å; Q66-Y91 PolarHBondContact N-O 2.6Å; D89-Y91 HydrophobicContact CB-CD2 4.49Å; D89-Y91 HydrophobicContact CB-CE2 3.66Å; Y91-R98 HydrophobicContact CD1-CB 3.75Å; Y91-R98 WeakPolarHBondContact CD1-O 3.4Å; Y91-R98 HydrophobicContact CE1-CB 3.33Å; Y91-R98 HydrophobicContact CE1-CG 4.28Å; Y91-R98 HydrophobicContact CE2-CB 4.28Å; Y91-R98 HydrophobicContact CG-CB 4.38Å; Y91-P99 VanDerWaalsContact CE1-O 3.29Å; Y91-P99 WeakPolarHBondContact CE1-O 3.45Å; Y91-L100 HydrophobicContact CD1-CD2 3.7Å; Y91-L100 HydrophobicContact CD1-CG 3.94Å; Y91-L100 HydrophobicContact CG-CD2 3.91Å; Y91-L100 HydrophobicContact CG-CG 4.31Å; Y91-F120 HydrophobicContact CD1-CZ 4.05Å; Y91-F120 HydrophobicContact CD2-CE1 4.2Å; Y91-F120 HydrophobicContact CD2-CZ 4.19Å; Y91-F120 HydrophobicContact CE1-CE2 4.48Å; Y91-F120 AromaticContact CE1-CZ 3.66Å; Y91-F120 HydrophobicContact CE1-CZ 3.66Å; Y91-F120 HydrophobicContact CE2-CE1 4.05Å; Y91-F120 AromaticContact CE2-CZ 3.81Å; Y91-F120 HydrophobicContact CE2-CZ 3.81Å; Y91-F120 HydrophobicContact CG-CE1 4.5Å; Y91-F120 HydrophobicContact CG-CZ 4.29Å; Y91-F120 AromaticContact CZ-CZ 3.53Å; Y91-Y124 HydrophobicContact CE2-CE2 4.44Å; Y91-Y124 WeakPolarHBondContact CE2-OH 3.4Å; Y91-Y124 PolarHBondContact OH-OH 3.11Å
92G90.1Very high94.1Very high9 Ų960.1 Ų60.19%0.09329%0.294CS..EExtended strand (participates in β ladder)trans87.6-152.9-17300000111.3Q66 N96Q66-G92 CarbonylContact O-C 3.34Å; G92-N96 WeakPolarHBondContact O-CB 3.33Å; G92-N96 VanDerWaalsContact O-CG 3.29Å; G92-N96 PolarHBondContact O-ND2 2.91Å
93K91.6Very high93Very high149 Ų14966.6 Ų66.665%0.64832%0.324SS*.SBendtrans-88.1-23.9-176.2-60.4-178.3178.5176.40113.6Q66 S67 C69Q66-K93 PolarHBondContact O-N 3.35Å; S67-K93 PolarHBondContact OG-N 3.16Å; C69-K93 VanDerWaalsContact SG-C 3.59Å
94C94.1Very high91.9Very high2 Ų264 Ų641%0.01431%0.311CS..SBendtrans-91.9129.2-172.2-48.10000110.8Y64 Q66 C69 S90 N96Y64-C94 HydrophobicContact CE1-CB 4.16Å; Q66-C94 HydrophobicContact CB-CB 4.13Å; Q66-C94 PolarHBondContact O-N 3.3Å; Q66-C94 PolarHBondContact O-SG 2.99Å; C69-C94 WeakPolarHBondContact CA-SG 3.38Å; C69-C94 HydrophobicContact CB-CB 4.02Å; C69-C94 WeakPolarHBondContact CB-SG 3.37Å; C69-C94 PolarHBondContact N-SG 2.97Å; C69-C94 WeakPolarHBondContact SG-CA 3.43Å; C69-C94 WeakPolarHBondContact SG-CB 3.42Å; C69-C94 PolarHBondContact SG-N 2.85Å; C69-C94 CovalentContact SG-SG 2.05Å; C69-C94 PolarHBondContact SG-SG 3.45Å; S90-C94 PolarHBondContact OG-O 3.1Å; C94-N96 PolarHBondContact O-N 3.18Å
95L96.2Very high90.5Very high65 Ų6562.7 Ų62.734%0.3431%0.307SS..SBendtrans58.7-38.6-174.9-51.7-179.3000115.6Y64 V79 R80 M83 N97Y64-L95 HydrophobicContact CD1-CD1 4.19Å; Y64-L95 HydrophobicContact CE1-CD1 4.03Å; Y64-L95 HydrophobicContact CE1-CG 4.31Å; V79-L95 HydrophobicContact CB-CD1 3.85Å; V79-L95 HydrophobicContact CG1-CD1 3.55Å; R80-L95 HydrophobicContact CG-CD1 4.03Å; R80-L95 HydrophobicContact CG-CD2 3.51Å; R80-L95 HydrophobicContact CG-CG 4.45Å; M83-L95 HydrophobicContact SD-CD1 3.83Å; L95-N97 PolarHBondContact O-N 2.86Å
96N94.5Very high88.7Confident87 Ų8764 Ų6447%0.46532%0.319SS..  trans34.373.5168.5-169.2-26.4000113.3S90 G92 C94 R98S90-N96 WeakPolarHBondContact O-CA 3.36Å; G92-N96 WeakPolarHBondContact O-CB 3.33Å; G92-N96 VanDerWaalsContact O-CG 3.29Å; G92-N96 PolarHBondContact O-ND2 2.91Å; C94-N96 PolarHBondContact O-N 3.18Å; N96-R98 PolarHBondContact OD1-O 3.3Å
97N96.8Very high86.4Confident74 Ų7467.3 Ų67.340%0.39634%0.34SS..  trans-100.2-2.4174.770.7-3.5000112.4M83 V88 S90 L95M83-N97 WeakPolarHBondContact CE-ND2 3.27Å; V88-N97 PolarHBondContact O-ND2 3.23Å; S90-N97 WeakPolarHBondContact CA-OD1 3.45Å; S90-N97 WeakPolarHBondContact CB-OD1 3.38Å; S90-N97 PolarHBondContact N-OD1 2.98Å; S90-N97 PolarHBondContact O-N 3.12Å; S90-N97 VanDerWaalsContact O-N 3.11Å; S90-N97 PolarHBondContact O-OD1 3.16Å; L95-N97 PolarHBondContact O-N 2.86Å
98R94.4Very high84.1Confident99 Ų9965.2 Ų65.237%0.37434%0.342SS..SBendtrans-135.5136.6175.4-66.6-63.8-165.3155.112.2110.9G58 D89 S90 Y91 N96G58-R98 PolarHBondContact O-NH2 3.36Å; D89-R98 HydrophobicContact CB-CG 3.95Å; D89-R98 WeakPolarHBondContact OD1-CG 3.43Å; D89-R98 IonicContact OD1-CZ 3.07Å; D89-R98 IonicContact OD1-NE 2.74Å; D89-R98 PolarHBondContact OD1-NE 2.89Å; D89-R98 IonicContact OD1-NH2 2.62Å; D89-R98 PolarHBondContact OD1-NH2 3.4Å; D89-R98 IonicContact OD2-NH2 3.78Å; S90-R98 PolarHBondContact O-N 3.09Å; S90-R98 VanDerWaalsContact O-N 3.14Å; Y91-R98 HydrophobicContact CD1-CB 3.75Å; Y91-R98 WeakPolarHBondContact CD1-O 3.4Å; Y91-R98 HydrophobicContact CE1-CB 3.33Å; Y91-R98 HydrophobicContact CE1-CG 4.28Å; Y91-R98 HydrophobicContact CE2-CB 4.28Å; Y91-R98 HydrophobicContact CG-CB 4.38Å; N96-R98 PolarHBondContact OD1-O 3.3Å
99P90.4Very high81.9Confident105 Ų10566.4 Ų66.468%0.68235%0.349SS*.PPolyproline II helixtrans-72137.9172.730.7-33.4000110.2Y91Y91-P99 VanDerWaalsContact CE1-O 3.29Å; Y91-P99 WeakPolarHBondContact CE1-O 3.45Å
100L84.8Confident79.5Confident33 Ų3367.3 Ų67.317%0.17336%0.358CS..PPolyproline II helixtrans-67.8146.4165.5-81.1167.9000109.2M65 Y91 L104 E105 F120M65-L100 HydrophobicContact CE-CD2 3.75Å; M65-L100 HydrophobicContact SD-CD1 4.48Å; M65-L100 HydrophobicContact SD-CD2 4.08Å; Y91-L100 HydrophobicContact CD1-CD2 3.7Å; Y91-L100 HydrophobicContact CD1-CG 3.94Å; Y91-L100 HydrophobicContact CG-CD2 3.91Å; Y91-L100 HydrophobicContact CG-CG 4.31Å; L100-L104 HydrophobicContact CD2-CB 4.49Å; L100-E105 HydrophobicContact CB-CG 4.2Å; L100-F120 HydrophobicContact CD2-CE1 4.45Å; L100-F120 HydrophobicContact CD2-CZ 4.22Å
101P82.3Confident77.4Confident43 Ų4372 Ų7228%0.27939%0.387SS..PPolyproline II helixtrans-56.5140.2165.5-22.733.8000110.3H103 L104 E105 F120P101-H103 WeakPolarHBondContact CB-CE1 3.43Å; P101-H103 WeakPolarHBondContact CB-ND1 3.44Å; P101-H103 PolarHBondContact O-N 3.03Å; P101-H103 VanDerWaalsContact O-N 3.08Å; P101-L104 HydrophobicContact CB-CD1 4.47Å; P101-L104 HydrophobicContact CB-CG 4.47Å; P101-L104 HydrophobicContact CG-CD1 4.12Å; P101-L104 WeakPolarHBondContact O-CA 3.48Å; P101-L104 PolarHBondContact O-N 2.73Å; P101-E105 PolarHBondContact O-N 2.86Å; P101-F120 HydrophobicContact CG-CD2 3.98Å; P101-F120 HydrophobicContact CG-CE2 3.63Å
102E79.3Confident75.8Confident169 Ų16972.5 Ų72.579%0.7940%0.397SS*.G310 helixtrans-50.7-39.2-175.5-170177.9-17800113.1L104 E105E102-L104 PolarHBondContact O-N 3.26Å; E102-E105 PolarHBondContact O-N 3.06Å
103H76.1Confident75.1Confident136 Ų13676.6 Ų76.663%0.6341%0.413SS*.G310 helixtrans-68.9-9.9177.968.6-83.5000114.9P101P101-H103 WeakPolarHBondContact CB-CE1 3.43Å; P101-H103 WeakPolarHBondContact CB-ND1 3.44Å; P101-H103 PolarHBondContact O-N 3.03Å; P101-H103 VanDerWaalsContact O-N 3.08Å
104L77Confident74.7Confident4 Ų472.8 Ų72.82%0.02140%0.398CS..G310 helixtrans-114.24.7178.2-57.2-179.1000112.6L100 P101 E102 D106 F117 F120L100-L104 HydrophobicContact CD2-CB 4.49Å; P101-L104 HydrophobicContact CB-CD1 4.47Å; P101-L104 HydrophobicContact CB-CG 4.47Å; P101-L104 HydrophobicContact CG-CD1 4.12Å; P101-L104 WeakPolarHBondContact O-CA 3.48Å; P101-L104 PolarHBondContact O-N 2.73Å; E102-L104 PolarHBondContact O-N 3.26Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-F117 HydrophobicContact CD2-CB 4.06Å; L104-F120 HydrophobicContact CD1-CB 3.69Å; L104-F120 HydrophobicContact CD1-CD1 4.46Å; L104-F120 HydrophobicContact CD1-CD2 3.45Å; L104-F120 VanDerWaalsContact CD1-CD2 3.45Å; L104-F120 HydrophobicContact CD1-CE2 4.18Å; L104-F120 HydrophobicContact CD1-CG 3.63Å
105E67.5Low74.2Confident116 Ų11677.4 Ų77.454%0.54243%0.428SS..  trans-72.7-25.1-177.6-74.1-174.5-177.700113.3L100 P101 E102 T107L100-E105 HydrophobicContact CB-CG 4.2Å; P101-E105 PolarHBondContact O-N 2.86Å; E102-E105 PolarHBondContact O-N 3.06Å; E105-T107 PolarHBondContact O-N 2.74Å; E105-T107 VanDerWaalsContact O-N 3.12Å
106D61.4Low73.8Confident103 Ų10375.5 Ų75.555%0.55142%0.424SS*.  trans-71.9108.6177.2-170.3-8.8000110.8L104 A108 T109L104-D106 VanDerWaalsContact C-N 3.34Å; D106-A108 PolarHBondContact O-N 3.02Å; D106-A108 WeakPolarHBondContact OD1-CB 3.41Å; D106-A108 PolarHBondContact OD1-N 3.27Å; D106-T109 WeakPolarHBondContact O-CB 3.05Å; D106-T109 PolarHBondContact O-N 3.44Å; D106-T109 PolarHBondContact O-OG1 2.99Å
107T51.6Low73.5Confident78 Ų7871.5 Ų71.548%0.47940%0.403SS..THydrogen-bonded Turntrans-59.5-15.6-179.754.30000115E105 T109 A110E105-T107 PolarHBondContact O-N 2.74Å; E105-T107 VanDerWaalsContact O-N 3.12Å; T107-T109 PolarHBondContact O-N 3.36Å; T107-A110 PolarHBondContact O-N 3.11Å
108A50.1Low73.1Confident71 Ų7168.4 Ų68.459%0.58739%0.386SS*.THydrogen-bonded Turntrans-62.1-22.6170.100000112.5D106D106-A108 PolarHBondContact O-N 3.02Å; D106-A108 WeakPolarHBondContact OD1-CB 3.41Å; D106-A108 PolarHBondContact OD1-N 3.27Å
109T51.1Low73Confident29 Ų2967.4 Ų67.418%0.17839%0.388CS..THydrogen-bonded Turntrans-82.6-23.8176.265.50000113.5D106 T107 T111 G112 E114D106-T109 WeakPolarHBondContact O-CB 3.05Å; D106-T109 PolarHBondContact O-N 3.44Å; D106-T109 PolarHBondContact O-OG1 2.99Å; T107-T109 PolarHBondContact O-N 3.36Å; T109-T111 PolarHBondContact O-N 3.37Å; T109-G112 PolarHBondContact O-N 3.29Å; T109-E114 HydrophobicContact CG2-CG 4.4Å
110A49.6Very low73.1Confident26 Ų2662.9 Ų62.922%0.21536%0.358CS..THydrogen-bonded Turntrans-79.5-19.2-171.500000114.4T107 F117 R145T107-A110 PolarHBondContact O-N 3.11Å; A110-F117 HydrophobicContact CB-CE2 4.39Å; A110-F117 HydrophobicContact CB-CZ 4.46Å; A110-R145 VanDerWaalsContact O-CZ 3.3Å; A110-R145 PolarHBondContact O-NH1 2.86Å; A110-R145 PolarHBondContact O-NH2 3.24Å
111T52.1Low73.4Confident98 Ų9861.3 Ų61.360%0.60135%0.349SS*.THydrogen-bonded Turntrans-94.1-13.5171.352.40000112.6T109T109-T111 PolarHBondContact O-N 3.37Å
112G61.3Low74.1Confident27 Ų2759.3 Ų59.328%0.27834%0.336SS..THydrogen-bonded Turntrans-88.1-174.7175.100000113.2T109 R145T109-G112 PolarHBondContact O-N 3.29Å; G112-R145 PolarHBondContact O-NH2 3.1Å; G112-R145 VanDerWaalsContact O-NH2 3.16Å
113E74.6Confident74.9Confident94 Ų9454.3 Ų54.344%0.43931%0.31SS..THydrogen-bonded Turntrans-110.445.2171.4-56.5-164.9146.400109.9Y39 P115 M118Y39-E113 WeakPolarHBondContact CE2-OE1 3.44Å; Y39-E113 PolarHBondContact OH-OE1 3.01Å; E113-P115 WeakPolarHBondContact O-CD 3.46Å; E113-M118 HydrophobicContact CB-CE 4.4Å; E113-M118 HydrophobicContact CB-CG 4.31Å; E113-M118 HydrophobicContact CB-SD 4.43Å; E113-M118 HydrophobicContact CG-CE 4.37Å
114E82.7Confident76Confident69 Ų6947.9 Ų47.932%0.32228%0.28SS..  trans-60.6124.5177.5-168.6-75.5126.300109.1T109 G116 F117 M118T109-E114 HydrophobicContact CG2-CG 4.4Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.27Å; E114-G116 PolarHBondContact OE1-N 2.98Å; E114-G116 VanDerWaalsContact OE2-CA 3.26Å; E114-G116 WeakPolarHBondContact OE2-CA 3.32Å; E114-G116 PolarHBondContact OE2-N 2.99Å; E114-G116 VanDerWaalsContact OE2-N 3.08Å; E114-F117 HydrophobicContact CB-CB 4.35Å; E114-F117 PolarHBondContact O-N 3.06Å; E114-F117 VanDerWaalsContact O-N 3.12Å; E114-F117 PolarHBondContact OE2-N 2.95Å; E114-M118 VanDerWaalsContact O-CG 3.27Å; E114-M118 WeakPolarHBondContact O-CG 3.26Å; E114-M118 PolarHBondContact O-N 3.2Å
115P85.2Confident77Confident100 Ų10048 Ų4865%0.64928%0.28SS*.Hα-helixtrans-55.9-37.9-171.2-29.535.7000114.7E113 M118 N119E113-P115 WeakPolarHBondContact O-CD 3.46Å; P115-M118 PolarHBondContact O-N 3.3Å; P115-N119 VanDerWaalsContact O-CB 3.25Å; P115-N119 WeakPolarHBondContact O-CB 3.34Å; P115-N119 PolarHBondContact O-N 3.37Å
116G87.3Confident78.5Confident25 Ų2542.4 Ų42.426%0.25826%0.255SS..Hα-helixtrans-62.4-47176.900000112.6E114 F120E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.27Å; E114-G116 PolarHBondContact OE1-N 2.98Å; E114-G116 VanDerWaalsContact OE2-CA 3.26Å; E114-G116 WeakPolarHBondContact OE2-CA 3.32Å; E114-G116 PolarHBondContact OE2-N 2.99Å; E114-G116 VanDerWaalsContact OE2-N 3.08Å; G116-F120 WeakPolarHBondContact O-CB 3.13Å; G116-F120 PolarHBondContact O-N 3.22Å
117F87.2Confident80.3Confident3 Ų337.8 Ų37.81%0.01323%0.23CC..Hα-helixtrans-63.4-44.5175.2179.1-97.1000112M65 L104 A110 E114 F120 V121M65-F117 HydrophobicContact CE-CE2 3.91Å; M65-F117 HydrophobicContact CE-CZ 4.45Å; M65-F117 HydrophobicContact CG-CE2 4.06Å; M65-F117 HydrophobicContact CG-CZ 3.87Å; M65-F117 HydrophobicContact SD-CE2 4Å; M65-F117 HydrophobicContact SD-CZ 4.43Å; L104-F117 HydrophobicContact CD2-CB 4.06Å; A110-F117 HydrophobicContact CB-CE2 4.39Å; A110-F117 HydrophobicContact CB-CZ 4.46Å; E114-F117 HydrophobicContact CB-CB 4.35Å; E114-F117 PolarHBondContact O-N 3.06Å; E114-F117 VanDerWaalsContact O-N 3.12Å; E114-F117 PolarHBondContact OE2-N 2.95Å; F117-F120 WeakPolarHBondContact O-CB 3.26Å; F117-F120 PolarHBondContact O-N 2.67Å; F117-V121 HydrophobicContact CD1-CG2 4.32Å; F117-V121 HydrophobicContact CE1-CG2 3.84Å; F117-V121 HydrophobicContact CE2-CG2 4.36Å; F117-V121 HydrophobicContact CZ-CG2 3.88Å; F117-V121 WeakPolarHBondContact O-CG2 3.49Å; F117-V121 PolarHBondContact O-N 3.29Å
118M89.8Confident82.5Confident8 Ų834.1 Ų34.14%0.03921%0.207CC..Hα-helixtrans-62-47.6178.7-66.4-60.6-83.600111E113 E114 P115 F120 V121 A122 R145 H148 Q149E113-M118 HydrophobicContact CB-CE 4.4Å; E113-M118 HydrophobicContact CB-CG 4.31Å; E113-M118 HydrophobicContact CB-SD 4.43Å; E113-M118 HydrophobicContact CG-CE 4.37Å; E114-M118 VanDerWaalsContact O-CG 3.27Å; E114-M118 WeakPolarHBondContact O-CG 3.26Å; E114-M118 PolarHBondContact O-N 3.2Å; P115-M118 PolarHBondContact O-N 3.3Å; M118-F120 VanDerWaalsContact C-N 3.31Å; M118-F120 PolarHBondContact O-N 3.43Å; M118-V121 WeakPolarHBondContact O-CB 3.48Å; M118-V121 PolarHBondContact O-N 3.05Å; M118-A122 PolarHBondContact O-N 2.95Å; M118-R145 HydrophobicContact CE-CG 3.74Å; M118-R145 HydrophobicContact SD-CG 3.71Å; M118-H148 WeakPolarHBondContact CE-CD2 3.47Å; M118-Q149 VanDerWaalsContact C-OE1 3.29Å; M118-Q149 HydrophobicContact CB-CG 4.45Å; M118-Q149 HydrophobicContact CE-CG 3.78Å; M118-Q149 VanDerWaalsContact CE-NE2 3.29Å; M118-Q149 PolarHBondContact O-OE1 2.92Å; M118-Q149 HydrophobicContact SD-CG 4.45Å
119N91.6Very high84.8Confident79 Ų7930.7 Ų30.742%0.42218%0.179SC..Hα-helixtrans-61.7-37.6174-175.665.1000112.4P115 V121 A122P115-N119 VanDerWaalsContact O-CB 3.25Å; P115-N119 WeakPolarHBondContact O-CB 3.34Å; P115-N119 PolarHBondContact O-N 3.37Å; N119-V121 VanDerWaalsContact C-N 3.34Å; N119-V121 PolarHBondContact O-N 3.3Å; N119-A122 PolarHBondContact O-N 3.31Å
120F92.4Very high87Confident10 Ų1029.5 Ų29.54%0.04417%0.171CC..Hα-helixtrans-59.3-45.6174.7174.9-78000111.6L63 M65 Y91 L100 P101 L104 G116 F117 M118 R123 Y124L63-F120 HydrophobicContact CD1-CE1 4.48Å; M65-F120 HydrophobicContact CE-CD1 4.01Å; M65-F120 HydrophobicContact CE-CE1 3.53Å; M65-F120 HydrophobicContact CE-CZ 4.43Å; Y91-F120 HydrophobicContact CD1-CZ 4.05Å; Y91-F120 HydrophobicContact CD2-CE1 4.2Å; Y91-F120 HydrophobicContact CD2-CZ 4.19Å; Y91-F120 HydrophobicContact CE1-CE2 4.48Å; Y91-F120 AromaticContact CE1-CZ 3.66Å; Y91-F120 HydrophobicContact CE1-CZ 3.66Å; Y91-F120 HydrophobicContact CE2-CE1 4.05Å; Y91-F120 AromaticContact CE2-CZ 3.81Å; Y91-F120 HydrophobicContact CE2-CZ 3.81Å; Y91-F120 HydrophobicContact CG-CE1 4.5Å; Y91-F120 HydrophobicContact CG-CZ 4.29Å; Y91-F120 AromaticContact CZ-CZ 3.53Å; L100-F120 HydrophobicContact CD2-CE1 4.45Å; L100-F120 HydrophobicContact CD2-CZ 4.22Å; P101-F120 HydrophobicContact CG-CD2 3.98Å; P101-F120 HydrophobicContact CG-CE2 3.63Å; L104-F120 HydrophobicContact CD1-CB 3.69Å; L104-F120 HydrophobicContact CD1-CD1 4.46Å; L104-F120 HydrophobicContact CD1-CD2 3.45Å; L104-F120 VanDerWaalsContact CD1-CD2 3.45Å; L104-F120 HydrophobicContact CD1-CE2 4.18Å; L104-F120 HydrophobicContact CD1-CG 3.63Å; G116-F120 WeakPolarHBondContact O-CB 3.13Å; G116-F120 PolarHBondContact O-N 3.22Å; F117-F120 WeakPolarHBondContact O-CB 3.26Å; F117-F120 PolarHBondContact O-N 2.67Å; M118-F120 VanDerWaalsContact C-N 3.31Å; M118-F120 PolarHBondContact O-N 3.43Å; F120-R123 VanDerWaalsContact CZ-NH2 3.33Å; F120-R123 PolarHBondContact O-NE 2.94Å; F120-Y124 HydrophobicContact CE1-CE2 4.34Å
121V92.4Very high89.3Confident0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-65.4-40.4178.1170.20000111.2L63 F117 M118 N119 R123 Y124 H127 C151L63-V121 HydrophobicContact CD2-CB 4.19Å; L63-V121 HydrophobicContact CD2-CG1 3.94Å; L63-V121 HydrophobicContact CD2-CG2 3.98Å; F117-V121 HydrophobicContact CD1-CG2 4.32Å; F117-V121 HydrophobicContact CE1-CG2 3.84Å; F117-V121 HydrophobicContact CE2-CG2 4.36Å; F117-V121 HydrophobicContact CZ-CG2 3.88Å; F117-V121 WeakPolarHBondContact O-CG2 3.49Å; F117-V121 PolarHBondContact O-N 3.29Å; M118-V121 WeakPolarHBondContact O-CB 3.48Å; M118-V121 PolarHBondContact O-N 3.05Å; N119-V121 VanDerWaalsContact C-N 3.34Å; N119-V121 PolarHBondContact O-N 3.3Å; V121-R123 PolarHBondContact O-N 2.84Å; V121-R123 VanDerWaalsContact O-N 3.1Å; V121-Y124 PolarHBondContact O-N 3.23Å; V121-H127 WeakPolarHBondContact CG1-ND1 3Å; V121-C151 PolarHBondContact O-SG 3.14Å
122A95.8Very high91.4Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-59.7-21.9-17800000114.3A45 V46 K51 M118 N119 Y124 Q149A45-A122 HydrophobicContact CB-CB 3.87Å; V46-A122 HydrophobicContact CB-CB 4.08Å; V46-A122 HydrophobicContact CG2-CB 3.66Å; K51-A122 WeakPolarHBondContact CE-O 3.33Å; K51-A122 PolarHBondContact NZ-O 3.02Å; K51-A122 VanDerWaalsContact NZ-O 3.11Å; M118-A122 PolarHBondContact O-N 2.95Å; N119-A122 PolarHBondContact O-N 3.31Å; A122-Y124 PolarHBondContact O-N 3.45Å; A122-Q149 HydrophobicContact CB-CB 4.18Å
123R97Very high93Very high64 Ų6423 Ų2324%0.24212%0.123CC..THydrogen-bonded Turntrans-64-21.4178.8-67.4179.5-54.9158.215.2114.3V46 L54 L59 F120 V121V46-R123 HydrophobicContact CG2-CG 4.11Å; L54-R123 HydrophobicContact CD1-CB 3.66Å; L54-R123 HydrophobicContact CD1-CG 3.62Å; L59-R123 HydrophobicContact CD2-CB 4.04Å; F120-R123 VanDerWaalsContact CZ-NH2 3.33Å; F120-R123 PolarHBondContact O-NE 2.94Å; V121-R123 PolarHBondContact O-N 2.84Å; V121-R123 VanDerWaalsContact O-N 3.1Å
124Y98.2Very high94.1Very high1 Ų120.1 Ų20.10%0.00411%0.112CC..  trans-88.6150.7-179-69.7-94.5000111.7K51 L59 A60 L63 D89 Y91 F120 V121 A122 C151K51-Y124 PolarHBondContact NZ-O 2.81Å; L59-Y124 HydrophobicContact CD1-CE1 3.97Å; L59-Y124 HydrophobicContact CD1-CE2 4.15Å; L59-Y124 WeakPolarHBondContact CD1-OH 3.15Å; L59-Y124 HydrophobicContact CD2-CD1 4.21Å; L59-Y124 HydrophobicContact CD2-CD2 4.38Å; L59-Y124 HydrophobicContact CD2-CE1 4.04Å; L59-Y124 HydrophobicContact CD2-CE2 4.22Å; L59-Y124 HydrophobicContact CD2-CG 4.37Å; L59-Y124 HydrophobicContact CG-CD1 4.29Å; L59-Y124 HydrophobicContact CG-CE1 3.7Å; L59-Y124 HydrophobicContact CG-CE2 4.43Å; A60-Y124 HydrophobicContact CB-CE1 4.5Å; A60-Y124 WeakPolarHBondContact O-CD1 3.35Å; A60-Y124 VanDerWaalsContact O-CE1 3.31Å; A60-Y124 WeakPolarHBondContact O-CE1 3.28Å; L63-Y124 HydrophobicContact CB-CD1 3.77Å; L63-Y124 HydrophobicContact CB-CD2 3.83Å; L63-Y124 HydrophobicContact CB-CE1 4.19Å; L63-Y124 HydrophobicContact CB-CE2 4.25Å; L63-Y124 HydrophobicContact CB-CG 3.58Å; L63-Y124 HydrophobicContact CD1-CD2 4.18Å; L63-Y124 HydrophobicContact CD1-CE2 3.83Å; L63-Y124 HydrophobicContact CD2-CD2 3.91Å; L63-Y124 HydrophobicContact CD2-CE2 4.31Å; L63-Y124 HydrophobicContact CD2-CG 4.43Å; L63-Y124 HydrophobicContact CG-CD2 4.2Å; L63-Y124 HydrophobicContact CG-CE2 4.36Å; L63-Y124 HydrophobicContact CG-CG 4.44Å; D89-Y124 HydrophobicContact CB-CE1 3.93Å; D89-Y124 WeakPolarHBondContact CB-OH 3.49Å; D89-Y124 PolarHBondContact OD2-OH 3.32Å; Y91-Y124 HydrophobicContact CE2-CE2 4.44Å; Y91-Y124 WeakPolarHBondContact CE2-OH 3.4Å; Y91-Y124 PolarHBondContact OH-OH 3.11Å; F120-Y124 HydrophobicContact CE1-CE2 4.34Å; V121-Y124 PolarHBondContact O-N 3.23Å; A122-Y124 PolarHBondContact O-N 3.45Å; Y124-C151 PolarHBondContact O-SG 2.82Å
125K98.6Very high94.8Very high6 Ų616.9 Ų16.93%0.02610%0.097CC..SBendtrans-74.9-44.7169.6-74.3-159.9-169.2-175.90110.9L48 K51 N52 V152 D191 D194 Y197L48-K125 HydrophobicContact CD1-CD 4.42Å; K51-K125 HydrophobicContact CB-CG 4.38Å; K51-K125 HydrophobicContact CD-CG 4.3Å; N52-K125 WeakPolarHBondContact OD1-CE 3.34Å; N52-K125 PolarHBondContact OD1-NZ 3.11Å; K125-V152 PolarHBondContact O-N 3.11Å; K125-D191 WeakPolarHBondContact CD-OD1 3.28Å; K125-D191 PolarHBondContact NZ-O 3.33Å; K125-D191 IonicContact NZ-OD1 3.25Å; K125-D194 IonicContact NZ-OD1 2.73Å; K125-D194 PolarHBondContact NZ-OD1 3.05Å; K125-Y197 HydrophobicContact CB-CD2 4.23Å; K125-Y197 HydrophobicContact CB-CE2 3.56Å; K125-Y197 HydrophobicContact CD-CD2 3.94Å; K125-Y197 HydrophobicContact CD-CE2 3.97Å; K125-Y197 HydrophobicContact CD-CG 4.22Å; K125-Y197 HydrophobicContact CG-CD2 4.37Å; K125-Y197 HydrophobicContact CG-CE2 3.87Å; K125-Y197 WeakPolarHBondContact O-CE2 3.28Å; K125-Y197 PolarHBondContact O-OH 3Å
126F98.8Very high95.3Very high0 Ų013.7 Ų13.70%08%0.076CC..EExtended strand (participates in β ladder)trans-118.8142-175.7-52.6-69.3000112.2P61 V62 L63 V152 V154 L187 L190 D191 Y197P61-F126 HydrophobicContact CB-CD2 4.29Å; P61-F126 WeakPolarHBondContact O-CD2 3.32Å; P61-F126 PolarHBondContact O-N 2.88Å; P61-F126 VanDerWaalsContact O-N 3.12Å; V62-F126 HydrophobicContact CB-CB 4.46Å; V62-F126 HydrophobicContact CG1-CB 4.49Å; V62-F126 HydrophobicContact CG2-CB 4.04Å; V62-F126 HydrophobicContact CG2-CD2 4.19Å; V62-F126 HydrophobicContact CG2-CG 4.48Å; L63-F126 PolarHBondContact N-O 2.74Å; F126-V152 WeakPolarHBondContact CA-O 3.29Å; F126-V152 HydrophobicContact CD1-CB 3.84Å; F126-V152 HydrophobicContact CD1-CG1 4.25Å; F126-V152 HydrophobicContact CE1-CB 4.1Å; F126-V152 HydrophobicContact CE1-CG1 4.42Å; F126-V152 HydrophobicContact CE1-CG2 4.44Å; F126-V154 HydrophobicContact CB-CG2 4.02Å; F126-V154 HydrophobicContact CD1-CG2 4.29Å; F126-V154 HydrophobicContact CG-CG2 4.46Å; F126-L187 HydrophobicContact CD1-CD2 3.79Å; F126-L187 HydrophobicContact CD2-CD2 4.46Å; F126-L187 HydrophobicContact CE1-CD2 3.94Å; F126-L187 HydrophobicContact CG-CD2 4.1Å; F126-L187 HydrophobicContact CZ-CD2 4.33Å; F126-L190 HydrophobicContact CE1-CB 4.4Å; F126-L190 HydrophobicContact CE1-CD2 3.5Å; F126-L190 HydrophobicContact CE1-CG 3.97Å; F126-L190 HydrophobicContact CZ-CB 3.84Å; F126-L190 HydrophobicContact CZ-CD2 3.81Å; F126-L190 HydrophobicContact CZ-CG 3.75Å; F126-D191 HydrophobicContact CE2-CB 4.07Å; F126-Y197 HydrophobicContact CE1-CD2 4.16Å; F126-Y197 HydrophobicContact CE1-CE2 4.25Å; F126-Y197 HydrophobicContact CZ-CD2 4.13Å; F126-Y197 HydrophobicContact CZ-CE2 4.45Å
127H98.6Very high95.8Very high5 Ų512.5 Ų12.52%0.0236%0.064CC..EExtended strand (participates in β ladder)trans-124.5122.9173-166.7146.6000109.3V121 A129 P146 V152 P153 V154V121-H127 WeakPolarHBondContact CG1-ND1 3Å; H127-A129 PolarHBondContact O-N 2.73Å; H127-P146 HydrophobicContact CB-CB 3.71Å; H127-P146 HydrophobicContact CB-CG 4.26Å; H127-V152 PolarHBondContact N-O 3.25Å; H127-P153 WeakPolarHBondContact O-CA 3.45Å; H127-V154 PolarHBondContact O-N 3.47Å
128L98.8Very high96.3Very high1 Ų113.9 Ų13.91%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-68.291.9170.3-63.7-172.2000110.8V62 L63 Y64 V79 L82 V88 L130 V154V62-L128 HydrophobicContact CG1-CD1 4.08Å; V62-L128 HydrophobicContact CG1-CD2 3.68Å; V62-L128 HydrophobicContact CG1-CG 3.51Å; L63-L128 PolarHBondContact O-N 2.94Å; Y64-L128 HydrophobicContact CD2-CB 3.81Å; Y64-L128 HydrophobicContact CD2-CD1 3.99Å; Y64-L128 HydrophobicContact CD2-CG 4.49Å; Y64-L128 HydrophobicContact CG-CD1 4.18Å; V79-L128 HydrophobicContact CB-CD1 4.45Å; V79-L128 HydrophobicContact CG1-CD1 3.9Å; V79-L128 HydrophobicContact CG2-CD1 3.71Å; L82-L128 HydrophobicContact CD2-CD1 4.21Å; L82-L128 HydrophobicContact CD2-CD2 4.01Å; V88-L128 HydrophobicContact CG1-CD1 4.15Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 HydrophobicContact CB-CD1 4.29Å; L128-L130 HydrophobicContact CB-CG 4.11Å; L128-L130 PolarHBondContact O-N 3.15Å; L128-L130 VanDerWaalsContact O-N 3.12Å; L128-V154 WeakPolarHBondContact CA-O 3.29Å; L128-V154 HydrophobicContact CD2-CB 3.79Å; L128-V154 HydrophobicContact CD2-CG1 3.76Å; L128-V154 HydrophobicContact CD2-CG2 4.5Å
129A98.1Very high96.7Very high0 Ų013.7 Ų13.70%07%0.068CC..EExtended strand (participates in β ladder)trans-85.671.8-179.400000110.1H127 K142 P146 P153 V154 Y155 R156H127-A129 PolarHBondContact O-N 2.73Å; A129-K142 WeakPolarHBondContact CB-O 3.28Å; A129-P146 HydrophobicContact CB-CG 4.41Å; A129-P153 HydrophobicContact CB-CB 3.9Å; A129-V154 PolarHBondContact N-O 2.86Å; A129-Y155 HydrophobicContact CB-CD2 3.91Å; A129-Y155 WeakPolarHBondContact O-CA 3.48Å; A129-Y155 WeakPolarHBondContact O-CD2 3.44Å; A129-R156 PolarHBondContact O-N 3.31Å
130L98.2Very high96.9Very high3 Ų310.1 Ų10.12%0.0165%0.049CC..EExtended strand (participates in β ladder)trans-102.3122.2-172.5-50.2-175.1000110.9Y64 R75 V79 L128 K142 R156 I174Y64-L130 HydrophobicContact CE2-CD1 3.98Å; R75-L130 HydrophobicContact CB-CB 3.96Å; R75-L130 HydrophobicContact CB-CD1 3.8Å; R75-L130 HydrophobicContact CG-CB 4.43Å; R75-L130 PolarHBondContact NH1-O 3.18Å; V79-L130 HydrophobicContact CG2-CD1 3.47Å; V79-L130 VanDerWaalsContact CG2-CD1 3.47Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 HydrophobicContact CB-CD1 4.29Å; L128-L130 HydrophobicContact CB-CG 4.11Å; L128-L130 PolarHBondContact O-N 3.15Å; L128-L130 VanDerWaalsContact O-N 3.12Å; L130-K142 VanDerWaalsContact O-CD 3.22Å; L130-K142 WeakPolarHBondContact O-CD 3.3Å; L130-R156 WeakPolarHBondContact CA-O 3.05Å; L130-R156 HydrophobicContact CD2-CB 3.83Å; L130-I174 HydrophobicContact CD2-CD1 3.27Å
131E97.7Very high97Very high0 Ų011.1 Ų11.10%05%0.054CC..  trans-75.4157.5177.6-67.2-61.2169.700112.7S73 G133 Y138 T140 Y155 R156S73-E131 VanDerWaalsContact CB-O 3.28Å; S73-E131 WeakPolarHBondContact CB-O 3.29Å; S73-E131 PolarHBondContact OG-O 3.41Å; E131-G133 WeakPolarHBondContact CB-O 2.94Å; E131-G133 PolarHBondContact O-N 3.3Å; E131-Y138 HydrophobicContact CB-CD1 3.92Å; E131-Y138 HydrophobicContact CB-CE1 3.9Å; E131-Y138 HydrophobicContact CG-CD1 4.1Å; E131-Y138 HydrophobicContact CG-CE1 4.29Å; E131-T140 WeakPolarHBondContact OE1-CB 2.91Å; E131-T140 PolarHBondContact OE1-N 3.25Å; E131-T140 PolarHBondContact OE1-OG1 3.24Å; E131-T140 VanDerWaalsContact OE2-CG2 3.28Å; E131-T140 WeakPolarHBondContact OE2-CG2 3.36Å; E131-T140 PolarHBondContact OE2-OG1 2.74Å; E131-Y155 HydrophobicContact CG-CE2 4.06Å; E131-R156 PolarHBondContact N-O 3.02Å
132N95.9Very high97.1Very high14 Ų1412.2 Ų12.28%0.0756%0.059CC..SBendtrans-68.3-22.4175.3-65.69.2000112.2V71 P72 S73 R75V71-N132 HydrophobicContact CB-CB 4.1Å; V71-N132 WeakPolarHBondContact CB-O 3.43Å; V71-N132 HydrophobicContact CG1-CB 3.9Å; P72-N132 WeakPolarHBondContact CD-O 3.22Å; S73-N132 WeakPolarHBondContact CB-O 3.47Å; S73-N132 PolarHBondContact N-O 3.2Å; S73-N132 PolarHBondContact OG-O 3.21Å; R75-N132 PolarHBondContact NH1-OD1 3.1Å; R75-N132 VanDerWaalsContact NH1-OD1 3.16Å; R75-N132 PolarHBondContact NH2-OD1 3.07Å
133G95.5Very high97.2Very high0 Ų012.2 Ų12.20%06%0.059CC..SBendtrans-143.7151.617900000110.6E131 Y138E131-G133 WeakPolarHBondContact CB-O 2.94Å; E131-G133 PolarHBondContact O-N 3.3Å; G133-Y138 WeakPolarHBondContact O-CD1 3.41Å
134V96.8Very high97.2Very high35 Ų359.1 Ų9.121%0.2125%0.047CC..  trans-97102.1176.8177.20000108.3G157 P159 P278V134-G157 VanDerWaalsContact CA-O 3.24Å; V134-G157 WeakPolarHBondContact CA-O 3.45Å; V134-G157 VanDerWaalsContact CG1-O 3.25Å; V134-G157 WeakPolarHBondContact CG1-O 3.24Å; V134-P159 HydrophobicContact CG1-CG 4.02Å; V134-P278 WeakPolarHBondContact O-CD 3.46Å; V134-P278 WeakPolarHBondContact O-CG 3.42Å
135C96.4Very high97Very high0 Ų09.9 Ų9.90%05%0.05CC..  trans-145.5140.6-175.4-660000111.4M1 F21 D137 Y138 G157 S158 C277M1-C135 HydrophobicContact CE-CB 3.92Å; M1-C135 WeakPolarHBondContact CE-SG 3.36Å; M1-C135 PolarHBondContact SD-SG 3.33Å; F21-C135 HydrophobicContact CE2-CB 4.19Å; F21-C135 HydrophobicContact CZ-CB 4.36Å; C135-D137 PolarHBondContact O-N 2.91Å; C135-Y138 WeakPolarHBondContact O-CB 3.01Å; C135-Y138 PolarHBondContact O-N 2.76Å; C135-Y138 VanDerWaalsContact O-N 3.1Å; C135-G157 PolarHBondContact N-O 3.47Å; C135-S158 WeakPolarHBondContact O-CA 3.12Å; C135-C277 HydrophobicContact CB-CB 4.16Å; C135-C277 WeakPolarHBondContact CB-SG 3.46Å; C135-C277 WeakPolarHBondContact SG-CB 3.42Å; C135-C277 CovalentContact SG-SG 2.03Å; C135-C277 PolarHBondContact SG-SG 3.32Å
136P97.4Very high96.8Very high33 Ų339.6 Ų9.621%0.2145%0.049CC..THydrogen-bonded Turntrans-51.4133.6174.6-25.134.1000111.7F21 R22 Y138 V160F21-P136 WeakPolarHBondContact CD2-O 3.39Å; F21-P136 VanDerWaalsContact CE2-O 3.31Å; F21-P136 WeakPolarHBondContact CE2-O 3.42Å; R22-P136 WeakPolarHBondContact CD-O 3.33Å; P136-Y138 PolarHBondContact O-N 3.33Å; P136-V160 HydrophobicContact CB-CG2 4.17Å
137D97.8Very high96.8Very high1 Ų19.6 Ų9.61%0.0055%0.049CC..THydrogen-bonded Turntrans59.65.3-179.6-57.9-43.1000116.5F21 R23 T30 C135 M139 S158 V160 W164F21-D137 HydrophobicContact CD2-CB 4.44Å; F21-D137 WeakPolarHBondContact O-CB 3.49Å; R23-D137 WeakPolarHBondContact CB-OD2 3.44Å; R23-D137 VanDerWaalsContact CG-OD2 3.25Å; R23-D137 WeakPolarHBondContact CG-OD2 3.36Å; R23-D137 IonicContact CZ-OD1 2.85Å; R23-D137 VanDerWaalsContact CZ-OD1 3.27Å; R23-D137 IonicContact CZ-OD2 2.92Å; R23-D137 PolarHBondContact N-OD2 3.45Å; R23-D137 VanDerWaalsContact N-OD2 3.12Å; R23-D137 IonicContact NE-OD1 3.35Å; R23-D137 PolarHBondContact NE-OD1 3.5Å; R23-D137 IonicContact NE-OD2 2.72Å; R23-D137 PolarHBondContact NE-OD2 3.44Å; R23-D137 IonicContact NH2-OD1 2.8Å; R23-D137 PolarHBondContact NH2-OD1 3.04Å; T30-D137 HydrophobicContact CG2-CB 3.78Å; C135-D137 PolarHBondContact O-N 2.91Å; D137-M139 PolarHBondContact O-N 2.83Å; D137-S158 PolarHBondContact N-OG 3.38Å; D137-V160 WeakPolarHBondContact OD1-CG2 3.05Å; D137-W164 PolarHBondContact OD1-NE1 3.27Å
138Y97.2Very high96.6Very high31 Ų319.8 Ų9.812%0.1225%0.05CC..  trans-77.189.1173-174.4-115.4000110M1 F21 E131 G133 C135 P136 T140 Y155M1-Y138 HydrophobicContact CB-CE1 4.47Å; M1-Y138 HydrophobicContact CB-CE2 4.33Å; M1-Y138 HydrophobicContact CE-CD1 3.86Å; M1-Y138 HydrophobicContact CE-CD2 3.48Å; M1-Y138 VanDerWaalsContact CE-CD2 3.48Å; M1-Y138 HydrophobicContact CE-CE1 4.16Å; M1-Y138 HydrophobicContact CE-CE2 3.79Å; M1-Y138 HydrophobicContact CE-CG 3.51Å; M1-Y138 PolarHBondContact N-OH 3.27Å; F21-Y138 AromaticContact CD1-CD2 3.66Å; F21-Y138 HydrophobicContact CD1-CD2 3.66Å; F21-Y138 HydrophobicContact CD1-CE2 4.36Å; F21-Y138 HydrophobicContact CD2-CD2 4.32Å; F21-Y138 AromaticContact CE1-CD2 3.79Å; F21-Y138 HydrophobicContact CE1-CD2 3.79Å; F21-Y138 HydrophobicContact CE1-CE2 4.46Å; F21-Y138 HydrophobicContact CE2-CD2 4.44Å; F21-Y138 AromaticContact CG-CD2 3.95Å; F21-Y138 HydrophobicContact CG-CD2 3.95Å; F21-Y138 HydrophobicContact CZ-CD2 4.2Å; E131-Y138 HydrophobicContact CB-CD1 3.92Å; E131-Y138 HydrophobicContact CB-CE1 3.9Å; E131-Y138 HydrophobicContact CG-CD1 4.1Å; E131-Y138 HydrophobicContact CG-CE1 4.29Å; G133-Y138 WeakPolarHBondContact O-CD1 3.41Å; C135-Y138 WeakPolarHBondContact O-CB 3.01Å; C135-Y138 PolarHBondContact O-N 2.76Å; C135-Y138 VanDerWaalsContact O-N 3.1Å; P136-Y138 PolarHBondContact O-N 3.33Å; Y138-T140 HydrophobicContact CD2-CG2 4.43Å; Y138-T140 HydrophobicContact CE1-CG2 4.26Å; Y138-T140 HydrophobicContact CE2-CG2 3.91Å; Y138-Y155 PolarHBondContact O-OH 3.44Å
139M97.3Very high96.4Very high4 Ų410.3 Ų10.32%0.025%0.052CC..  trans-125.4120.7-179.5-60.6172.1-61.500109T30 D137 L143 W144 V161 W164T30-M139 HydrophobicContact CG2-CE 3.43Å; T30-M139 VanDerWaalsContact CG2-CE 3.43Å; D137-M139 PolarHBondContact O-N 2.83Å; M139-L143 HydrophobicContact CB-CD2 3.92Å; M139-L143 HydrophobicContact CG-CD2 3.86Å; M139-L143 HydrophobicContact SD-CD2 3.99Å; M139-W144 HydrophobicContact CE-CZ2 4.3Å; M139-W144 HydrophobicContact SD-CZ2 4.24Å; M139-V161 HydrophobicContact CG-CG2 4.49Å; M139-V161 HydrophobicContact SD-CB 4.49Å; M139-V161 HydrophobicContact SD-CG2 4.03Å; M139-W164 HydrophobicContact CE-CB 3.98Å; M139-W164 HydrophobicContact CE-CD2 4.19Å; M139-W164 HydrophobicContact CE-CG 3.56Å; M139-W164 HydrophobicContact SD-CB 3.94Å; M139-W164 HydrophobicContact SD-CG 4.01Å
140T96Very high96.2Very high5 Ų510.3 Ų10.33%0.0315%0.052CC..  trans-113.2-172.4-174.172.50000112.5W33 E131 Y138 K142 L143 W144W33-T140 VanDerWaalsContact CD1-CA 3.43Å; E131-T140 WeakPolarHBondContact OE1-CB 2.91Å; E131-T140 PolarHBondContact OE1-N 3.25Å; E131-T140 PolarHBondContact OE1-OG1 3.24Å; E131-T140 VanDerWaalsContact OE2-CG2 3.28Å; E131-T140 WeakPolarHBondContact OE2-CG2 3.36Å; E131-T140 PolarHBondContact OE2-OG1 2.74Å; Y138-T140 HydrophobicContact CD2-CG2 4.43Å; Y138-T140 HydrophobicContact CE1-CG2 4.26Å; Y138-T140 HydrophobicContact CE2-CG2 3.91Å; T140-K142 PolarHBondContact O-N 3.44Å; T140-K142 PolarHBondContact OG1-N 2.66Å; T140-K142 PolarHBondContact OG1-NZ 3.48Å; T140-L143 PolarHBondContact O-N 3.11Å; T140-L143 VanDerWaalsContact O-N 3.09Å; T140-W144 PolarHBondContact O-N 3.33Å
141E93.9Very high96.1Very high30 Ų3010.2 Ų10.214%0.145%0.052CC..Hα-helixtrans-52.7-27.4172.977.4-6516100112.1W33 L143 W144 R145W33-E141 HydrophobicContact CD2-CB 4.28Å; W33-E141 HydrophobicContact CE3-CB 3.71Å; W33-E141 HydrophobicContact CZ3-CB 4.11Å; E141-L143 PolarHBondContact O-N 3.1Å; E141-W144 PolarHBondContact O-N 2.84Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 PolarHBondContact O-N 3.19Å
142K95.3Very high96.1Very high23 Ų2310.2 Ų10.210%0.15%0.052CC..Hα-helixtrans-58.5-34179.5-64.4174.1-164.758.10112.6A129 L130 T140 P146A129-K142 WeakPolarHBondContact CB-O 3.28Å; L130-K142 VanDerWaalsContact O-CD 3.22Å; L130-K142 WeakPolarHBondContact O-CD 3.3Å; T140-K142 PolarHBondContact O-N 3.44Å; T140-K142 PolarHBondContact OG1-N 2.66Å; T140-K142 PolarHBondContact OG1-NZ 3.48Å; K142-P146 WeakPolarHBondContact O-CD 3.39Å; K142-P146 WeakPolarHBondContact O-CG 3.45Å
143L97.7Very high96.3Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-83.2-48.2176.6175.158.3000112M139 T140 E141 P146 L147 P153 Y155 V161 M165 V171M139-L143 HydrophobicContact CB-CD2 3.92Å; M139-L143 HydrophobicContact CG-CD2 3.86Å; M139-L143 HydrophobicContact SD-CD2 3.99Å; T140-L143 PolarHBondContact O-N 3.11Å; T140-L143 VanDerWaalsContact O-N 3.09Å; E141-L143 PolarHBondContact O-N 3.1Å; L143-P146 WeakPolarHBondContact O-CD 3.22Å; L143-P146 VanDerWaalsContact O-CG 3.28Å; L143-P146 WeakPolarHBondContact O-CG 3.36Å; L143-L147 HydrophobicContact CD1-CD1 4.38Å; L143-P153 HydrophobicContact CD1-CB 4.18Å; L143-P153 HydrophobicContact CD1-CG 4.26Å; L143-Y155 HydrophobicContact CB-CD2 4.02Å; L143-Y155 HydrophobicContact CB-CE2 3.77Å; L143-Y155 HydrophobicContact CD1-CD2 3.59Å; L143-Y155 HydrophobicContact CD1-CE2 4.03Å; L143-Y155 HydrophobicContact CD1-CG 4.04Å; L143-Y155 HydrophobicContact CD2-CD2 4.33Å; L143-Y155 HydrophobicContact CD2-CE2 3.93Å; L143-Y155 HydrophobicContact CG-CD2 4.18Å; L143-Y155 HydrophobicContact CG-CE2 4.12Å; L143-V161 HydrophobicContact CD1-CG2 4.43Å; L143-V161 HydrophobicContact CD2-CG2 3.5Å; L143-M165 HydrophobicContact CD1-CE 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.18Å; L143-M165 HydrophobicContact CD2-CE 3.57Å; L143-M165 HydrophobicContact CG-CE 4.12Å; L143-V171 HydrophobicContact CD1-CG2 4.49Å
144W96.7Very high96.4Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-77.1-34.4-170-57.5112.1000113.1L31 W33 L34 Y39 L40 M139 T140 E141 L147 H148 W164 M165 L214L31-W144 HydrophobicContact CD2-CH2 4.07Å; L31-W144 HydrophobicContact CD2-CZ2 3.72Å; W33-W144 WeakPolarHBondContact O-CB 3.18Å; L34-W144 HydrophobicContact CB-CD2 3.88Å; L34-W144 HydrophobicContact CB-CE3 4.24Å; L34-W144 HydrophobicContact CB-CG 4.13Å; L34-W144 HydrophobicContact CB-CZ2 4.44Å; L34-W144 HydrophobicContact CD1-CD2 4.24Å; L34-W144 HydrophobicContact CD1-CE3 3.91Å; L34-W144 HydrophobicContact CD1-CZ3 4.47Å; L34-W144 HydrophobicContact CD2-CD2 4.42Å; L34-W144 HydrophobicContact CD2-CE3 3.98Å; L34-W144 HydrophobicContact CD2-CH2 4Å; L34-W144 HydrophobicContact CD2-CZ2 4.43Å; L34-W144 HydrophobicContact CD2-CZ3 3.76Å; L34-W144 HydrophobicContact CG-CD2 4.4Å; L34-W144 HydrophobicContact CG-CE3 4.26Å; Y39-W144 HydrophobicContact CE1-CB 4.49Å; L40-W144 HydrophobicContact CD2-CE3 4.36Å; M139-W144 HydrophobicContact CE-CZ2 4.3Å; M139-W144 HydrophobicContact SD-CZ2 4.24Å; T140-W144 PolarHBondContact O-N 3.33Å; E141-W144 PolarHBondContact O-N 2.84Å; W144-L147 HydrophobicContact CE3-CD1 3.8Å; W144-L147 HydrophobicContact CZ3-CD1 4.07Å; W144-L147 WeakPolarHBondContact O-CB 3.07Å; W144-L147 PolarHBondContact O-N 3.1Å; W144-H148 WeakPolarHBondContact O-CB 3.22Å; W144-H148 PolarHBondContact O-N 2.63Å; W144-W164 HydrophobicContact CH2-CB 4.22Å; W144-M165 HydrophobicContact CH2-CE 3.61Å; W144-M165 HydrophobicContact CZ2-CE 4.35Å; W144-M165 HydrophobicContact CZ3-CE 3.76Å; W144-L214 HydrophobicContact CH2-CD1 4.44Å
145R94.1Very high96.5Very high16 Ų168 Ų86%0.064%0.038CC..Hα-helixtrans-56.1-52.6178.3-178.9-175.8-64.1162.5-8.4113.4A110 G112 M118 E141 L147 H148 Q149A110-R145 VanDerWaalsContact O-CZ 3.3Å; A110-R145 PolarHBondContact O-NH1 2.86Å; A110-R145 PolarHBondContact O-NH2 3.24Å; G112-R145 PolarHBondContact O-NH2 3.1Å; G112-R145 VanDerWaalsContact O-NH2 3.16Å; M118-R145 HydrophobicContact CE-CG 3.74Å; M118-R145 HydrophobicContact SD-CG 3.71Å; E141-R145 WeakPolarHBondContact O-CB 3.47Å; E141-R145 PolarHBondContact O-N 3.19Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.03Å; R145-H148 PolarHBondContact O-N 2.67Å; R145-Q149 WeakPolarHBondContact O-CB 3.33Å; R145-Q149 WeakPolarHBondContact O-CG 3.41Å; R145-Q149 PolarHBondContact O-N 3.31Å
146P95.6Very high96.6Very high0 Ų09.7 Ų9.70%05%0.045CC..Hα-helixtrans-62.7-38.7178.122.6-33.2000112.6H127 A129 K142 L143 H148 Q149 G150 C151 P153H127-P146 HydrophobicContact CB-CB 3.71Å; H127-P146 HydrophobicContact CB-CG 4.26Å; A129-P146 HydrophobicContact CB-CG 4.41Å; K142-P146 WeakPolarHBondContact O-CD 3.39Å; K142-P146 WeakPolarHBondContact O-CG 3.45Å; L143-P146 WeakPolarHBondContact O-CD 3.22Å; L143-P146 VanDerWaalsContact O-CG 3.28Å; L143-P146 WeakPolarHBondContact O-CG 3.36Å; P146-H148 VanDerWaalsContact C-N 3.34Å; P146-H148 PolarHBondContact O-N 3.12Å; P146-Q149 PolarHBondContact O-N 3.05Å; P146-G150 PolarHBondContact O-N 3.15Å; P146-C151 CarbonylContact C-O 3.59Å; P146-C151 HydrophobicContact CB-CB 3.92Å; P146-C151 PolarHBondContact O-N 2.87Å; P146-P153 HydrophobicContact CB-CB 4.43Å; P146-P153 HydrophobicContact CG-CB 3.88Å
147L97.2Very high96.6Very high0 Ų08.2 Ų8.20%04%0.035CC..Hα-helixtrans-58.3-48.3175-68.8169.8000111.2L40 L143 W144 R145 Q149 G150 P153 M165 S170 F203 K204L40-L147 HydrophobicContact CD2-CB 3.87Å; L143-L147 HydrophobicContact CD1-CD1 4.38Å; W144-L147 HydrophobicContact CE3-CD1 3.8Å; W144-L147 HydrophobicContact CZ3-CD1 4.07Å; W144-L147 WeakPolarHBondContact O-CB 3.07Å; W144-L147 PolarHBondContact O-N 3.1Å; R145-L147 VanDerWaalsContact C-N 3.34Å; R145-L147 PolarHBondContact O-N 2.03Å; L147-Q149 PolarHBondContact O-N 3.49Å; L147-G150 PolarHBondContact O-N 3.26Å; L147-P153 HydrophobicContact CD2-CG 3.67Å; L147-P153 HydrophobicContact CG-CG 3.89Å; L147-M165 HydrophobicContact CD1-CE 4.43Å; L147-M165 HydrophobicContact CD1-SD 4.25Å; L147-S170 WeakPolarHBondContact CD2-O 3.42Å; L147-F203 HydrophobicContact CB-CE2 4.33Å; L147-F203 HydrophobicContact CB-CZ 3.96Å; L147-F203 HydrophobicContact CD2-CE1 3.81Å; L147-F203 HydrophobicContact CD2-CE2 4.5Å; L147-F203 HydrophobicContact CD2-CZ 3.72Å; L147-F203 HydrophobicContact CG-CZ 4.47Å; L147-F203 WeakPolarHBondContact O-CZ 3.31Å; L147-K204 WeakPolarHBondContact O-CE 3.22Å; L147-K204 PolarHBondContact O-NZ 3.35Å
148H95.6Very high96.6Very high9 Ų98.3 Ų8.34%0.0424%0.037CC..Hα-helixtrans-62.3-41.6177.116075.3000112.5Y39 E42 M118 W144 R145 P146 G150 K204Y39-H148 HydrophobicContact CD1-CB 3.76Å; Y39-H148 AromaticContact CD2-CE1 3.85Å; Y39-H148 AromaticContact CD2-ND1 3.63Å; Y39-H148 HydrophobicContact CE1-CB 3.19Å; Y39-H148 AromaticContact CE1-CG 3.56Å; Y39-H148 HydrophobicContact CE2-CB 4.13Å; Y39-H148 AromaticContact CE2-CD2 3.57Å; Y39-H148 AromaticContact CE2-CE1 3.61Å; Y39-H148 AromaticContact CE2-CG 3.5Å; Y39-H148 AromaticContact CE2-ND1 3.53Å; Y39-H148 AromaticContact CE2-NE2 3.69Å; Y39-H148 HydrophobicContact CG-CB 4.43Å; Y39-H148 AromaticContact CG-ND1 3.95Å; Y39-H148 VanDerWaalsContact CZ-CB 3.41Å; Y39-H148 AromaticContact CZ-CD2 3.4Å; Y39-H148 VanDerWaalsContact CZ-CD2 3.4Å; Y39-H148 AromaticContact CZ-CG 3.25Å; Y39-H148 AromaticContact CZ-ND1 3.77Å; Y39-H148 PolarHBondContact O-ND1 2.89Å; Y39-H148 PolarHBondContact OH-CD2 3.16Å; Y39-H148 VanDerWaalsContact OH-CD2 3.31Å; E42-H148 IonicContact OE2-CE1 2.73Å; E42-H148 PolarHBondContact OE2-CE1 3.21Å; E42-H148 VanDerWaalsContact OE2-CE1 3.26Å; M118-H148 WeakPolarHBondContact CE-CD2 3.47Å; W144-H148 WeakPolarHBondContact O-CB 3.22Å; W144-H148 PolarHBondContact O-N 2.63Å; R145-H148 PolarHBondContact O-N 2.67Å; P146-H148 VanDerWaalsContact C-N 3.34Å; P146-H148 PolarHBondContact O-N 3.12Å; H148-G150 PolarHBondContact O-N 2.51Å; H148-K204 PolarHBondContact O-NZ 3.02Å
149Q94.4Very high96.6Very high13 Ų1311 Ų116%0.0616%0.057CC..Hα-helixtrans-74.6-3.6177.7-68-61.9-54.900114.8M118 A122 R145 P146 L147M118-Q149 VanDerWaalsContact C-OE1 3.29Å; M118-Q149 HydrophobicContact CB-CG 4.45Å; M118-Q149 HydrophobicContact CE-CG 3.78Å; M118-Q149 VanDerWaalsContact CE-NE2 3.29Å; M118-Q149 PolarHBondContact O-OE1 2.92Å; M118-Q149 HydrophobicContact SD-CG 4.45Å; A122-Q149 HydrophobicContact CB-CB 4.18Å; R145-Q149 WeakPolarHBondContact O-CB 3.33Å; R145-Q149 WeakPolarHBondContact O-CG 3.41Å; R145-Q149 PolarHBondContact O-N 3.31Å; P146-Q149 PolarHBondContact O-N 3.05Å; L147-Q149 PolarHBondContact O-N 3.49Å
150G94.5Very high96.7Very high0 Ų013 Ų130%07%0.07CC..THydrogen-bonded Turntrans73.629.5-176.800000113.3K51 P146 L147 H148 Y197 L201K51-G150 PolarHBondContact NZ-O 3.19Å; P146-G150 PolarHBondContact O-N 3.15Å; L147-G150 PolarHBondContact O-N 3.26Å; H148-G150 PolarHBondContact O-N 2.51Å; G150-Y197 PolarHBondContact O-OH 2.86Å; G150-L201 WeakPolarHBondContact O-CD1 3.28Å
151C95.4Very high96.8Very high0 Ų012.9 Ų12.90%07%0.069CC..  trans-101.2149.9168.2-570000109.2V121 Y124 P146 P153V121-C151 PolarHBondContact O-SG 3.14Å; Y124-C151 PolarHBondContact O-SG 2.82Å; P146-C151 CarbonylContact C-O 3.59Å; P146-C151 HydrophobicContact CB-CB 3.92Å; P146-C151 PolarHBondContact O-N 2.87Å; C151-P153 WeakPolarHBondContact O-CD 3.28Å
152V98.4Very high97Very high0 Ų014.2 Ų14.20%09%0.086CC..EExtended strand (participates in β ladder)trans-83.8114.3176.1-178.70000108.6K125 F126 H127 V154 V172 Y197 Y200 L201K125-V152 PolarHBondContact O-N 3.11Å; F126-V152 WeakPolarHBondContact CA-O 3.29Å; F126-V152 HydrophobicContact CD1-CB 3.84Å; F126-V152 HydrophobicContact CD1-CG1 4.25Å; F126-V152 HydrophobicContact CE1-CB 4.1Å; F126-V152 HydrophobicContact CE1-CG1 4.42Å; F126-V152 HydrophobicContact CE1-CG2 4.44Å; H127-V152 PolarHBondContact N-O 3.25Å; V152-V154 PolarHBondContact O-N 3.29Å; V152-V172 HydrophobicContact CG1-CG2 3.82Å; V152-Y197 HydrophobicContact CB-CE2 4.45Å; V152-Y197 HydrophobicContact CG2-CD2 4.05Å; V152-Y197 HydrophobicContact CG2-CE2 3.53Å; V152-Y200 HydrophobicContact CG1-CD1 3.63Å; V152-Y200 HydrophobicContact CG1-CE1 4.28Å; V152-Y200 HydrophobicContact CG1-CG 3.92Å; V152-Y200 VanDerWaalsContact CG2-CB 3.41Å; V152-Y200 HydrophobicContact CG2-CG 4.04Å; V152-L201 HydrophobicContact CG2-CD2 4.26Å
153P98.6Very high97.1Very high0 Ų016.1 Ų16.10%010%0.097CC..EExtended strand (participates in β ladder)trans-66.2130.9173.124.8-31.6000110.6H127 A129 L143 P146 L147 C151 S170 V171 V172H127-P153 WeakPolarHBondContact O-CA 3.45Å; A129-P153 HydrophobicContact CB-CB 3.9Å; L143-P153 HydrophobicContact CD1-CB 4.18Å; L143-P153 HydrophobicContact CD1-CG 4.26Å; P146-P153 HydrophobicContact CB-CB 4.43Å; P146-P153 HydrophobicContact CG-CB 3.88Å; L147-P153 HydrophobicContact CD2-CG 3.67Å; L147-P153 HydrophobicContact CG-CG 3.89Å; C151-P153 WeakPolarHBondContact O-CD 3.28Å; P153-S170 WeakPolarHBondContact CD-O 3.45Å; P153-V171 HydrophobicContact CB-CG2 4.17Å; P153-V171 HydrophobicContact CG-CB 3.97Å; P153-V171 HydrophobicContact CG-CG2 3.84Å; P153-V171 WeakPolarHBondContact O-CG2 3.34Å; P153-V172 PolarHBondContact O-N 2.91Å
154V98.9Very high97.1Very high0 Ų016.9 Ų16.90%010%0.1CC..EExtended strand (participates in β ladder)trans-102.996.8166.3-178.10000106.2F126 H127 L128 A129 V152 V172 I174 L183 L187F126-V154 HydrophobicContact CB-CG2 4.02Å; F126-V154 HydrophobicContact CD1-CG2 4.29Å; F126-V154 HydrophobicContact CG-CG2 4.46Å; H127-V154 PolarHBondContact O-N 3.47Å; L128-V154 WeakPolarHBondContact CA-O 3.29Å; L128-V154 HydrophobicContact CD2-CB 3.79Å; L128-V154 HydrophobicContact CD2-CG1 3.76Å; L128-V154 HydrophobicContact CD2-CG2 4.5Å; A129-V154 PolarHBondContact N-O 2.86Å; V152-V154 PolarHBondContact O-N 3.29Å; V154-V172 CarbonylContact C-O 3.5Å; V154-V172 WeakPolarHBondContact CA-O 3.25Å; V154-V172 HydrophobicContact CG1-CG1 4.43Å; V154-V172 HydrophobicContact CG2-CB 4.27Å; V154-I174 HydrophobicContact CG1-CD1 3.98Å; V154-I174 HydrophobicContact CG1-CG1 3.71Å; V154-L183 HydrophobicContact CG1-CD1 4.17Å; V154-L183 HydrophobicContact CG1-CD2 3.99Å; V154-L187 HydrophobicContact CG1-CD1 4.43Å; V154-L187 HydrophobicContact CG2-CD1 4.09Å; V154-L187 HydrophobicContact CG2-CD2 3.81Å
155Y98.8Very high97.2Very high2 Ų217 Ų171%0.00810%0.1CC..EExtended strand (participates in β ladder)trans-105142.7-157-178.6-98.5000113.6A129 E131 Y138 L143 S158 V161 V171 V172 I174A129-Y155 HydrophobicContact CB-CD2 3.91Å; A129-Y155 WeakPolarHBondContact O-CA 3.48Å; A129-Y155 WeakPolarHBondContact O-CD2 3.44Å; E131-Y155 HydrophobicContact CG-CE2 4.06Å; Y138-Y155 PolarHBondContact O-OH 3.44Å; L143-Y155 HydrophobicContact CB-CD2 4.02Å; L143-Y155 HydrophobicContact CB-CE2 3.77Å; L143-Y155 HydrophobicContact CD1-CD2 3.59Å; L143-Y155 HydrophobicContact CD1-CE2 4.03Å; L143-Y155 HydrophobicContact CD1-CG 4.04Å; L143-Y155 HydrophobicContact CD2-CD2 4.33Å; L143-Y155 HydrophobicContact CD2-CE2 3.93Å; L143-Y155 HydrophobicContact CG-CD2 4.18Å; L143-Y155 HydrophobicContact CG-CE2 4.12Å; Y155-S158 PolarHBondContact OH-N 3.24Å; Y155-V161 HydrophobicContact CD1-CB 3.99Å; Y155-V161 HydrophobicContact CD1-CG1 3.71Å; Y155-V161 HydrophobicContact CD1-CG2 3.89Å; Y155-V161 HydrophobicContact CE1-CB 3.54Å; Y155-V161 HydrophobicContact CE1-CG1 3.73Å; Y155-V161 HydrophobicContact CE1-CG2 3.6Å; Y155-V171 VanDerWaalsContact CB-CG2 3.47Å; Y155-V171 HydrophobicContact CG-CG2 4.39Å; Y155-V172 PolarHBondContact N-O 2.98Å; Y155-I174 WeakPolarHBondContact O-CB 3.43Å; Y155-I174 PolarHBondContact O-N 2.95Å
156R98.4Very high97.4Very high36 Ų3616.2 Ų16.214%0.13610%0.097CC..EExtended strand (participates in β ladder)trans-149.4126.8163.1-164175.9-173.5-158-3.1110.4A129 L130 E131 I174 D175 G283A129-R156 PolarHBondContact O-N 3.31Å; L130-R156 WeakPolarHBondContact CA-O 3.05Å; L130-R156 HydrophobicContact CD2-CB 3.83Å; E131-R156 PolarHBondContact N-O 3.02Å; R156-I174 HydrophobicContact CB-CB 4.22Å; R156-I174 HydrophobicContact CB-CD1 3.93Å; R156-D175 IonicContact CZ-OD1 2.74Å; R156-D175 IonicContact NE-OD1 3.54Å; R156-D175 PolarHBondContact NE-OD1 3.46Å; R156-D175 IonicContact NE-OD2 3.52Å; R156-D175 IonicContact NH2-OD1 2.66Å; R156-G283 PolarHBondContact NH1-O 2.88Å
157G97.5Very high97.5Very high2 Ų217.1 Ų17.12%0.02110%0.102CC..SBendtrans174.4-95.4-175.800000110.9V134 C135 P159V134-G157 VanDerWaalsContact CA-O 3.24Å; V134-G157 WeakPolarHBondContact CA-O 3.45Å; V134-G157 VanDerWaalsContact CG1-O 3.25Å; V134-G157 WeakPolarHBondContact CG1-O 3.24Å; C135-G157 PolarHBondContact N-O 3.47Å; G157-P159 VanDerWaalsContact O-CD 3.3Å; G157-P159 WeakPolarHBondContact O-CD 3.29Å
158S98Very high97.4Very high4 Ų424.6 Ų24.63%0.02814%0.142CC..  trans-69.2120.9172.2175.90000112C135 D137 Y155 V160 V161C135-S158 WeakPolarHBondContact O-CA 3.12Å; D137-S158 PolarHBondContact N-OG 3.38Å; Y155-S158 PolarHBondContact OH-N 3.24Å; S158-V160 PolarHBondContact O-N 2.05Å; S158-V160 VanDerWaalsContact O-N 3.16Å; S158-V160 VanDerWaalsContact OG-CG2 3.28Å; S158-V160 WeakPolarHBondContact OG-CG2 3.19Å; S158-V160 PolarHBondContact OG-N 3.29Å; S158-V161 WeakPolarHBondContact O-CB 3.08Å; S158-V161 PolarHBondContact O-N 3.33Å; S158-V161 PolarHBondContact OG-N 3.35Å
159P97.4Very high97.4Very high86 Ų8627.3 Ų27.356%0.55816%0.155SC*.THydrogen-bonded Turntrans-64.2-15.7172.8-22.234.8000113.7V134 G157V134-P159 HydrophobicContact CG1-CG 4.02Å; G157-P159 VanDerWaalsContact O-CD 3.3Å; G157-P159 WeakPolarHBondContact O-CD 3.29Å
160V97.8Very high97.6Very high47 Ų4726.7 Ų26.729%0.28515%0.152SC..THydrogen-bonded Turntrans-110.822.5-179.4-62.30000111.8P136 D137 S158 A162 D163P136-V160 HydrophobicContact CB-CG2 4.17Å; D137-V160 WeakPolarHBondContact OD1-CG2 3.05Å; S158-V160 PolarHBondContact O-N 2.05Å; S158-V160 VanDerWaalsContact O-N 3.16Å; S158-V160 VanDerWaalsContact OG-CG2 3.28Å; S158-V160 WeakPolarHBondContact OG-CG2 3.19Å; S158-V160 PolarHBondContact OG-N 3.29Å; V160-A162 PolarHBondContact O-N 2.71Å; V160-D163 WeakPolarHBondContact O-CB 3.26Å; V160-D163 PolarHBondContact O-N 3.03Å
161V98.4Very high97.8Very high3 Ų327.5 Ų27.52%0.01816%0.157CC..G310 helixtrans-56.5-34.8-178.965.60000113M139 L143 Y155 S158 D163 W164 M165 I173M139-V161 HydrophobicContact CG-CG2 4.49Å; M139-V161 HydrophobicContact SD-CB 4.49Å; M139-V161 HydrophobicContact SD-CG2 4.03Å; L143-V161 HydrophobicContact CD1-CG2 4.43Å; L143-V161 HydrophobicContact CD2-CG2 3.5Å; Y155-V161 HydrophobicContact CD1-CB 3.99Å; Y155-V161 HydrophobicContact CD1-CG1 3.71Å; Y155-V161 HydrophobicContact CD1-CG2 3.89Å; Y155-V161 HydrophobicContact CE1-CB 3.54Å; Y155-V161 HydrophobicContact CE1-CG1 3.73Å; Y155-V161 HydrophobicContact CE1-CG2 3.6Å; S158-V161 WeakPolarHBondContact O-CB 3.08Å; S158-V161 PolarHBondContact O-N 3.33Å; S158-V161 PolarHBondContact OG-N 3.35Å; V161-D163 PolarHBondContact O-N 3.13Å; V161-D163 VanDerWaalsContact O-N 3.15Å; V161-W164 PolarHBondContact O-N 2.83Å; V161-M165 HydrophobicContact CG2-CE 3.73Å; V161-M165 HydrophobicContact CG2-CG 4.32Å; V161-M165 HydrophobicContact CG2-SD 4.1Å; V161-M165 WeakPolarHBondContact O-CG 3.42Å; V161-M165 PolarHBondContact O-N 2.74Å; V161-I173 HydrophobicContact CG1-CD1 4Å; V161-I173 HydrophobicContact CG1-CG1 4.25Å
162A97.8Very high97.9Very high58 Ų5827.7 Ų27.748%0.47916%0.158SC..G310 helixtrans-59.1-29.1-178.300000112.5V160 W164 M165 I173V160-A162 PolarHBondContact O-N 2.71Å; A162-W164 PolarHBondContact O-N 3.28Å; A162-W164 VanDerWaalsContact O-N 3.1Å; A162-M165 PolarHBondContact O-N 3.41Å; A162-I173 HydrophobicContact CB-CD1 4.42Å
163D97.9Very high97.9Very high63 Ų6330 Ų3034%0.33717%0.17SC..G310 helixtrans-62-18.3175.8-68.7-5.8000113.2R23 V160 V161 N211 R213R23-D163 IonicContact CZ-OD2 3.2Å; R23-D163 VanDerWaalsContact CZ-OD2 3.26Å; R23-D163 IonicContact NH1-OD2 2.71Å; R23-D163 PolarHBondContact NH1-OD2 3.36Å; R23-D163 IonicContact NH2-OD2 3.32Å; R23-D163 PolarHBondContact NH2-OD2 3.27Å; V160-D163 WeakPolarHBondContact O-CB 3.26Å; V160-D163 PolarHBondContact O-N 3.03Å; V161-D163 PolarHBondContact O-N 3.13Å; V161-D163 VanDerWaalsContact O-N 3.15Å; D163-N211 PolarHBondContact O-ND2 2.88Å; D163-N211 PolarHBondContact O-OD1 2.84Å; D163-R213 WeakPolarHBondContact O-CD 3.42Å
164W98.1Very high97.9Very high16 Ų1630.1 Ų30.16%0.06117%0.17CC..G310 helixtrans-118.3-1.9-173.5-60.1106.1000113.6R23 T30 L31 D137 M139 W144 V161 A162 R213R23-W164 HydrophobicContact CB-CZ2 4.03Å; T30-W164 HydrophobicContact CG2-CD2 4.09Å; T30-W164 VanDerWaalsContact CG2-CE2 3.41Å; T30-W164 HydrophobicContact CG2-CH2 4.11Å; T30-W164 HydrophobicContact CG2-CZ2 3.43Å; T30-W164 VanDerWaalsContact CG2-CZ2 3.43Å; L31-W164 HydrophobicContact CD1-CE3 4.06Å; L31-W164 HydrophobicContact CD1-CZ3 3.91Å; L31-W164 HydrophobicContact CD2-CD2 4.19Å; L31-W164 HydrophobicContact CD2-CE3 3.74Å; L31-W164 HydrophobicContact CD2-CZ3 4.28Å; L31-W164 HydrophobicContact CG-CE3 4.07Å; L31-W164 HydrophobicContact CG-CZ3 4.09Å; D137-W164 PolarHBondContact OD1-NE1 3.27Å; M139-W164 HydrophobicContact CE-CB 3.98Å; M139-W164 HydrophobicContact CE-CD2 4.19Å; M139-W164 HydrophobicContact CE-CG 3.56Å; M139-W164 HydrophobicContact SD-CB 3.94Å; M139-W164 HydrophobicContact SD-CG 4.01Å; W144-W164 HydrophobicContact CH2-CB 4.22Å; V161-W164 PolarHBondContact O-N 2.83Å; A162-W164 PolarHBondContact O-N 3.28Å; A162-W164 VanDerWaalsContact O-N 3.1Å; W164-R213 HydrophobicContact CE3-CG 4.17Å; W164-R213 HydrophobicContact CH2-CG 4.04Å; W164-R213 HydrophobicContact CZ3-CG 3.82Å
165M98.2Very high97.8Very high2 Ų234.6 Ų34.61%0.0119%0.194CC..SBendtrans-75145-179.8-67.6-61.19100111.6L143 W144 L147 V161 A162 N167 V171 N211L143-M165 HydrophobicContact CD1-CE 4.2Å; L143-M165 HydrophobicContact CD1-SD 4.18Å; L143-M165 HydrophobicContact CD2-CE 3.57Å; L143-M165 HydrophobicContact CG-CE 4.12Å; W144-M165 HydrophobicContact CH2-CE 3.61Å; W144-M165 HydrophobicContact CZ2-CE 4.35Å; W144-M165 HydrophobicContact CZ3-CE 3.76Å; L147-M165 HydrophobicContact CD1-CE 4.43Å; L147-M165 HydrophobicContact CD1-SD 4.25Å; V161-M165 HydrophobicContact CG2-CE 3.73Å; V161-M165 HydrophobicContact CG2-CG 4.32Å; V161-M165 HydrophobicContact CG2-SD 4.1Å; V161-M165 WeakPolarHBondContact O-CG 3.42Å; V161-M165 PolarHBondContact O-N 2.74Å; A162-M165 PolarHBondContact O-N 3.41Å; M165-N167 WeakPolarHBondContact CB-O 3.26Å; M165-N167 PolarHBondContact O-N 3Å; M165-N167 VanDerWaalsContact O-N 3.11Å; M165-V171 HydrophobicContact CG-CB 4.46Å; M165-V171 HydrophobicContact CG-CG1 3.61Å; M165-V171 HydrophobicContact SD-CB 4Å; M165-V171 HydrophobicContact SD-CG1 3.79Å; M165-N211 WeakPolarHBondContact O-CB 3.09Å; M165-N211 PolarHBondContact O-ND2 2.81Å
166P98Very high97.7Very high0 Ų038.8 Ų38.80%022%0.224CC..SBendtrans-51.2-36.7180-31.436.6000114.4L40 S170 F203 I209 T210 N211 L214L40-P166 HydrophobicContact CD1-CG 3.83Å; P166-S170 WeakPolarHBondContact CD-OG 3.4Å; P166-F203 HydrophobicContact CB-CB 3.55Å; P166-F203 HydrophobicContact CB-CD2 4.21Å; P166-F203 HydrophobicContact CB-CG 4Å; P166-F203 HydrophobicContact CG-CB 4.24Å; P166-F203 HydrophobicContact CG-CD2 4.01Å; P166-F203 HydrophobicContact CG-CG 4.14Å; P166-I209 HydrophobicContact CB-CG1 4.24Å; P166-I209 HydrophobicContact CB-CG2 4.25Å; P166-I209 CarbonylContact O-C 3.5Å; P166-I209 WeakPolarHBondContact O-CA 3.24Å; P166-T210 PolarHBondContact O-N 2.62Å; P166-N211 PolarHBondContact O-N 2.74Å; P166-L214 HydrophobicContact CB-CD2 4.42Å; P166-L214 HydrophobicContact CG-CD2 4.18Å
167N97.5Very high97.7Very high18 Ų1839.3 Ų39.310%0.09623%0.227CC..SBendtrans-152.5-173.5171.857.738.4000109.8M165 H169 S170 R208M165-N167 WeakPolarHBondContact CB-O 3.26Å; M165-N167 PolarHBondContact O-N 3Å; M165-N167 VanDerWaalsContact O-N 3.11Å; N167-H169 PolarHBondContact O-N 3.06Å; N167-H169 WeakPolarHBondContact OD1-CA 3.33Å; N167-H169 PolarHBondContact OD1-N 3.37Å; N167-S170 PolarHBondContact OD1-N 3.46Å; N167-R208 PolarHBondContact ND2-O 3.47Å
168D96.3Very high97.7Very high157 Ų15745.1 Ų45.184%0.8426%0.264SS*.THydrogen-bonded Turntrans-76.7-0.2179.563.4-16.2000114.1
169H95.9Very high97.7Very high67 Ų6746.8 Ų46.831%0.3128%0.276SS..THydrogen-bonded Turntrans-13633.8-170.5-153.274.4000112.9N167 Y200N167-H169 PolarHBondContact O-N 3.06Å; N167-H169 WeakPolarHBondContact OD1-CA 3.33Å; N167-H169 PolarHBondContact OD1-N 3.37Å; H169-Y200 AromaticContact CE1-CE2 3.67Å; H169-Y200 AromaticContact CE1-CZ 3.6Å; H169-Y200 AromaticContact NE2-CD2 3.59Å; H169-Y200 AromaticContact NE2-CE2 3.33Å; H169-Y200 VanDerWaalsContact NE2-CE2 3.33Å; H169-Y200 WeakPolarHBondContact NE2-CE2 3.46Å; H169-Y200 AromaticContact NE2-CZ 3.68Å; H169-Y200 VanDerWaalsContact O-CA 3.23Å; H169-Y200 WeakPolarHBondContact O-CA 3.45Å; H169-Y200 WeakPolarHBondContact O-CD1 3.36Å
170S97.7Very high97.8Very high0 Ų042.8 Ų42.80%025%0.25CC..SBendtrans-109-7.2178.766.80000114.3L147 P153 P166 N167L147-S170 WeakPolarHBondContact CD2-O 3.42Å; P153-S170 WeakPolarHBondContact CD-O 3.45Å; P166-S170 WeakPolarHBondContact CD-OG 3.4Å; N167-S170 PolarHBondContact OD1-N 3.46Å
171V98.3Very high97.8Very high17 Ų1744.9 Ų44.910%0.10326%0.255CS..  trans-142.6146.4-174.4620000111L143 P153 Y155 M165 I173L143-V171 HydrophobicContact CD1-CG2 4.49Å; P153-V171 HydrophobicContact CB-CG2 4.17Å; P153-V171 HydrophobicContact CG-CB 3.97Å; P153-V171 HydrophobicContact CG-CG2 3.84Å; P153-V171 WeakPolarHBondContact O-CG2 3.34Å; Y155-V171 VanDerWaalsContact CB-CG2 3.47Å; Y155-V171 HydrophobicContact CG-CG2 4.39Å; M165-V171 HydrophobicContact CG-CB 4.46Å; M165-V171 HydrophobicContact CG-CG1 3.61Å; M165-V171 HydrophobicContact SD-CB 4Å; M165-V171 HydrophobicContact SD-CG1 3.79Å; V171-I173 HydrophobicContact CG1-CG1 4.13Å
172V98.8Very high97.9Very high4 Ų446 Ų462%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-99.3109.5169.21790000108.2V152 P153 V154 Y155 F177 L183 F186 L187 Y200V152-V172 HydrophobicContact CG1-CG2 3.82Å; P153-V172 PolarHBondContact O-N 2.91Å; V154-V172 CarbonylContact C-O 3.5Å; V154-V172 WeakPolarHBondContact CA-O 3.25Å; V154-V172 HydrophobicContact CG1-CG1 4.43Å; V154-V172 HydrophobicContact CG2-CB 4.27Å; Y155-V172 PolarHBondContact N-O 2.98Å; V172-F177 HydrophobicContact CG1-CE2 3.6Å; V172-F177 HydrophobicContact CG1-CZ 4Å; V172-L183 HydrophobicContact CG1-CD1 3.73Å; V172-F186 HydrophobicContact CG1-CD1 4.25Å; V172-F186 HydrophobicContact CG1-CE1 4.04Å; V172-F186 HydrophobicContact CG2-CE1 3.83Å; V172-L187 HydrophobicContact CG1-CD2 4.44Å; V172-Y200 HydrophobicContact CG2-CD1 4.4Å; V172-Y200 HydrophobicContact CG2-CE1 3.71Å
173I98.6Very high97.9Very high49 Ų4943.2 Ų43.225%0.25124%0.242SC..EExtended strand (participates in β ladder)trans-84.4117.2-179.7-60.2175.2000109.2V161 A162 V171 D175 S176 F177V161-I173 HydrophobicContact CG1-CD1 4Å; V161-I173 HydrophobicContact CG1-CG1 4.25Å; A162-I173 HydrophobicContact CB-CD1 4.42Å; V171-I173 HydrophobicContact CG1-CG1 4.13Å; I173-D175 VanDerWaalsContact C-N 3.33Å; I173-D175 PolarHBondContact O-N 3.31Å; I173-S176 WeakPolarHBondContact O-CB 3.43Å; I173-S176 PolarHBondContact O-N 2.99Å; I173-S176 VanDerWaalsContact O-N 3.13Å; I173-F177 WeakPolarHBondContact O-CD2 3.48Å
174I98.5Very high98Very high2 Ų240.2 Ų40.21%0.0123%0.226CC..G310 helixtrans-56.8-45.5-176.6-78.3168.8000112.1Y78 L130 V154 Y155 R156 S176 F177 L183Y78-I174 HydrophobicContact CD1-CD1 4.47Å; Y78-I174 HydrophobicContact CD1-CG2 4.49Å; Y78-I174 HydrophobicContact CD2-CG2 4.44Å; Y78-I174 HydrophobicContact CE1-CD1 4.06Å; Y78-I174 HydrophobicContact CE1-CG1 4.34Å; Y78-I174 HydrophobicContact CE1-CG2 3.77Å; Y78-I174 HydrophobicContact CE2-CG2 3.69Å; Y78-I174 WeakPolarHBondContact OH-CG2 3.5Å; L130-I174 HydrophobicContact CD2-CD1 3.27Å; V154-I174 HydrophobicContact CG1-CD1 3.98Å; V154-I174 HydrophobicContact CG1-CG1 3.71Å; Y155-I174 WeakPolarHBondContact O-CB 3.43Å; Y155-I174 PolarHBondContact O-N 2.95Å; R156-I174 HydrophobicContact CB-CB 4.22Å; R156-I174 HydrophobicContact CB-CD1 3.93Å; I174-S176 PolarHBondContact O-N 3.22Å; I174-F177 PolarHBondContact O-N 2.74Å; I174-L183 HydrophobicContact CG1-CD2 3.8Å
175D96.1Very high98Very high93 Ų9342 Ų4250%0.49724%0.237SC..G310 helixtrans-70.7-3.8-175.2-61.2-35.6000113R156 I173 F177R156-D175 IonicContact CZ-OD1 2.74Å; R156-D175 IonicContact NE-OD1 3.54Å; R156-D175 PolarHBondContact NE-OD1 3.46Å; R156-D175 IonicContact NE-OD2 3.52Å; R156-D175 IonicContact NH2-OD1 2.66Å; I173-D175 VanDerWaalsContact C-N 3.33Å; I173-D175 PolarHBondContact O-N 3.31Å; D175-F177 VanDerWaalsContact C-N 3.28Å
176S97.3Very high98Very high90 Ų9043.8 Ų43.863%0.62924%0.244SC*.G310 helixtrans-81.5-5.7170.4-58.90000113.4I173 I174I173-S176 WeakPolarHBondContact O-CB 3.43Å; I173-S176 PolarHBondContact O-N 2.99Å; I173-S176 VanDerWaalsContact O-N 3.13Å; I174-S176 PolarHBondContact O-N 3.22Å
177F98.4Very high98.1Very high48 Ų4843.8 Ų43.821%0.21124%0.244CC..SBendtrans-107141.4179.2-64.4-93.3000111V172 I173 I174 D175 S179 L183 F186V172-F177 HydrophobicContact CG1-CE2 3.6Å; V172-F177 HydrophobicContact CG1-CZ 4Å; I173-F177 WeakPolarHBondContact O-CD2 3.48Å; I174-F177 PolarHBondContact O-N 2.74Å; D175-F177 VanDerWaalsContact C-N 3.28Å; F177-S179 PolarHBondContact O-N 2.81Å; F177-L183 HydrophobicContact CB-CB 4.17Å; F177-L183 HydrophobicContact CD1-CB 4.35Å; F177-L183 HydrophobicContact CD2-CB 4.37Å; F177-L183 HydrophobicContact CD2-CD1 3.78Å; F177-L183 HydrophobicContact CE1-CD1 4.5Å; F177-L183 HydrophobicContact CE2-CD1 3.72Å; F177-L183 HydrophobicContact CG-CB 4.03Å; F177-L183 HydrophobicContact CG-CD1 4.21Å; F177-L183 HydrophobicContact CZ-CD1 4.1Å; F177-F186 HydrophobicContact CD1-CB 4.33Å; F177-F186 HydrophobicContact CE1-CB 3.48Å; F177-F186 VanDerWaalsContact CE1-CB 3.48Å; F177-F186 AromaticContact CE1-CD1 3.97Å; F177-F186 HydrophobicContact CE1-CD1 3.97Å; F177-F186 AromaticContact CE1-CD2 3.96Å; F177-F186 HydrophobicContact CE1-CD2 3.96Å; F177-F186 AromaticContact CE1-CG 3.51Å; F177-F186 HydrophobicContact CE1-CG 3.51Å; F177-F186 HydrophobicContact CZ-CB 4.05Å; F177-F186 AromaticContact CZ-CD1 3.6Å; F177-F186 HydrophobicContact CZ-CD1 3.6Å; F177-F186 HydrophobicContact CZ-CD2 4.1Å; F177-F186 HydrophobicContact CZ-CE1 4.12Å; F177-F186 AromaticContact CZ-CG 3.62Å; F177-F186 HydrophobicContact CZ-CG 3.62Å
178P97.5Very high98.1Very high124 Ų12447 Ų4781%0.80526%0.258SS*.SBendtrans-72.6-16.3-17829.5-36.4000113.6A182P178-A182 HydrophobicContact CG-CB 3.81Å
179S98.3Very high98.2Very high38 Ų3845.8 Ų45.827%0.26624%0.241SC..SBendtrans-161.5160.2178.567.60000112.4F177 K181 A182 L183F177-S179 PolarHBondContact O-N 2.81Å; S179-K181 PolarHBondContact O-N 3.17Å; S179-A182 WeakPolarHBondContact O-CB 3.36Å; S179-A182 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact OG-N 2.87Å; S179-A182 VanDerWaalsContact OG-N 3.13Å; S179-L183 PolarHBondContact O-N 3.32Å
180P98.6Very high98.3Very high2 Ų242.7 Ų42.71%0.01323%0.227CC..Hα-helixtrans-55.8-34170.5-27.135.3000113Y78 E81 L82 L183 A184 Y284Y78-P180 HydrophobicContact CD2-CG 4.14Å; Y78-P180 HydrophobicContact CE2-CB 4.44Å; Y78-P180 HydrophobicContact CE2-CG 3.65Å; E81-P180 HydrophobicContact CB-CB 4.33Å; E81-P180 HydrophobicContact CB-CG 4.08Å; E81-P180 HydrophobicContact CG-CB 3.93Å; E81-P180 HydrophobicContact CG-CG 3.67Å; L82-P180 HydrophobicContact CB-CB 4.26Å; L82-P180 HydrophobicContact CD1-CB 4.35Å; L82-P180 VanDerWaalsContact CD1-O 3.27Å; L82-P180 WeakPolarHBondContact CD1-O 3.41Å; P180-L183 PolarHBondContact O-N 3.45Å; P180-A184 WeakPolarHBondContact O-CB 3.07Å; P180-A184 PolarHBondContact O-N 3.06Å; P180-Y284 HydrophobicContact CG-CD2 3.69Å; P180-Y284 HydrophobicContact CG-CE2 3.6Å; P180-Y284 HydrophobicContact CG-CG 4.36Å
181K98.8Very high98.4Very high91 Ų9143.8 Ų43.840%0.39623%0.233SC..Hα-helixtrans-64.2-45.2174.3-173.3-175.9-175.6-51.50111.6Y85 S179 L183 A184 D185Y85-K181 HydrophobicContact CD1-CB 3.92Å; Y85-K181 HydrophobicContact CD1-CD 4.06Å; Y85-K181 HydrophobicContact CD1-CG 3.63Å; Y85-K181 HydrophobicContact CD2-CB 3.92Å; Y85-K181 HydrophobicContact CD2-CG 4.47Å; Y85-K181 HydrophobicContact CE1-CB 3.95Å; Y85-K181 HydrophobicContact CE1-CD 3.94Å; Y85-K181 HydrophobicContact CE1-CG 3.89Å; Y85-K181 HydrophobicContact CE2-CB 3.96Å; Y85-K181 HydrophobicContact CG-CB 3.9Å; Y85-K181 HydrophobicContact CG-CG 3.95Å; S179-K181 PolarHBondContact O-N 3.17Å; K181-L183 VanDerWaalsContact C-N 3.3Å; K181-L183 PolarHBondContact O-N 2.96Å; K181-A184 WeakPolarHBondContact O-CB 3.45Å; K181-A184 PolarHBondContact O-N 3.18Å; K181-D185 IonicContact NZ-OD1 2.7Å; K181-D185 PolarHBondContact NZ-OD1 3.04Å; K181-D185 IonicContact NZ-OD2 2.74Å; K181-D185 PolarHBondContact NZ-OD2 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.23Å; K181-D185 PolarHBondContact O-N 3.17Å
182A98.8Very high98.3Very high26 Ų2650.7 Ų50.722%0.21526%0.264CS..Hα-helixtrans-63.3-39.2178.700000111.7P178 S179 F186P178-A182 HydrophobicContact CG-CB 3.81Å; S179-A182 WeakPolarHBondContact O-CB 3.36Å; S179-A182 PolarHBondContact O-N 3.02Å; S179-A182 PolarHBondContact OG-N 2.87Å; S179-A182 VanDerWaalsContact OG-N 3.13Å; A182-F186 WeakPolarHBondContact O-CB 3.47Å; A182-F186 PolarHBondContact O-N 2.76Å
183L98.9Very high98.3Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-62.4-47.5171.5176.163.1000111.6Y78 L82 V154 V172 I174 F177 S179 P180 K181 D185 F186 L187Y78-L183 HydrophobicContact CE1-CD2 3.98Å; Y78-L183 VanDerWaalsContact OH-CD2 3.23Å; Y78-L183 WeakPolarHBondContact OH-CD2 3.44Å; L82-L183 HydrophobicContact CD1-CB 4.49Å; L82-L183 HydrophobicContact CD1-CD2 4.18Å; L82-L183 HydrophobicContact CD1-CG 4.33Å; L82-L183 HydrophobicContact CD2-CD2 4.35Å; V154-L183 HydrophobicContact CG1-CD1 4.17Å; V154-L183 HydrophobicContact CG1-CD2 3.99Å; V172-L183 HydrophobicContact CG1-CD1 3.73Å; I174-L183 HydrophobicContact CG1-CD2 3.8Å; F177-L183 HydrophobicContact CB-CB 4.17Å; F177-L183 HydrophobicContact CD1-CB 4.35Å; F177-L183 HydrophobicContact CD2-CB 4.37Å; F177-L183 HydrophobicContact CD2-CD1 3.78Å; F177-L183 HydrophobicContact CE1-CD1 4.5Å; F177-L183 HydrophobicContact CE2-CD1 3.72Å; F177-L183 HydrophobicContact CG-CB 4.03Å; F177-L183 HydrophobicContact CG-CD1 4.21Å; F177-L183 HydrophobicContact CZ-CD1 4.1Å; S179-L183 PolarHBondContact O-N 3.32Å; P180-L183 PolarHBondContact O-N 3.45Å; K181-L183 VanDerWaalsContact C-N 3.3Å; K181-L183 PolarHBondContact O-N 2.96Å; L183-D185 PolarHBondContact O-N 3.27Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 3.4Å; L183-F186 VanDerWaalsContact O-N 3.15Å; L183-L187 HydrophobicContact CD1-CD1 4.11Å; L183-L187 HydrophobicContact CD1-CD2 4.42Å; L183-L187 HydrophobicContact CD1-CG 4.02Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.34Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.7Å
184A98.9Very high98.3Very high0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-59.3-44.9177.400000112.4L82 Y85 I86 P180 K181 F186 L187 K188L82-A184 HydrophobicContact CD1-CB 3.89Å; Y85-A184 VanDerWaalsContact CB-CB 3.41Å; I86-A184 HydrophobicContact CB-CB 3.9Å; I86-A184 HydrophobicContact CG2-CB 3.86Å; P180-A184 WeakPolarHBondContact O-CB 3.07Å; P180-A184 PolarHBondContact O-N 3.06Å; K181-A184 WeakPolarHBondContact O-CB 3.45Å; K181-A184 PolarHBondContact O-N 3.18Å; A184-F186 VanDerWaalsContact C-N 3.26Å; A184-F186 PolarHBondContact O-N 3.35Å; A184-L187 PolarHBondContact O-N 2.93Å; A184-K188 WeakPolarHBondContact O-CB 3.19Å; A184-K188 VanDerWaalsContact O-CG 3.31Å; A184-K188 WeakPolarHBondContact O-CG 3.31Å; A184-K188 PolarHBondContact O-N 3.12Å
185D98.9Very high98.3Very high55 Ų5559.2 Ų59.229%0.29431%0.31SS..Hα-helixtrans-61.9-37.6176.9-66.5-21.9000110.6K181 L183 R189K181-D185 IonicContact NZ-OD1 2.7Å; K181-D185 PolarHBondContact NZ-OD1 3.04Å; K181-D185 IonicContact NZ-OD2 2.74Å; K181-D185 PolarHBondContact NZ-OD2 3.28Å; K181-D185 VanDerWaalsContact O-CG 3.23Å; K181-D185 PolarHBondContact O-N 3.17Å; L183-D185 PolarHBondContact O-N 3.27Å; D185-R189 WeakPolarHBondContact O-CG 3.44Å; D185-R189 PolarHBondContact O-N 2.96Å; D185-R189 PolarHBondContact O-NH1 3.34Å
186F98.8Very high98.4Very high38 Ų3858.5 Ų58.517%0.16730%0.304CS..Hα-helixtrans-65.5-50.2174.2174.1-92.1000112.4V172 F177 A182 L183 A184 K188 R189 L190 Y200V172-F186 HydrophobicContact CG1-CD1 4.25Å; V172-F186 HydrophobicContact CG1-CE1 4.04Å; V172-F186 HydrophobicContact CG2-CE1 3.83Å; F177-F186 HydrophobicContact CD1-CB 4.33Å; F177-F186 HydrophobicContact CE1-CB 3.48Å; F177-F186 VanDerWaalsContact CE1-CB 3.48Å; F177-F186 AromaticContact CE1-CD1 3.97Å; F177-F186 HydrophobicContact CE1-CD1 3.97Å; F177-F186 AromaticContact CE1-CD2 3.96Å; F177-F186 HydrophobicContact CE1-CD2 3.96Å; F177-F186 AromaticContact CE1-CG 3.51Å; F177-F186 HydrophobicContact CE1-CG 3.51Å; F177-F186 HydrophobicContact CZ-CB 4.05Å; F177-F186 AromaticContact CZ-CD1 3.6Å; F177-F186 HydrophobicContact CZ-CD1 3.6Å; F177-F186 HydrophobicContact CZ-CD2 4.1Å; F177-F186 HydrophobicContact CZ-CE1 4.12Å; F177-F186 AromaticContact CZ-CG 3.62Å; F177-F186 HydrophobicContact CZ-CG 3.62Å; A182-F186 WeakPolarHBondContact O-CB 3.47Å; A182-F186 PolarHBondContact O-N 2.76Å; L183-F186 WeakPolarHBondContact O-CB 3.24Å; L183-F186 PolarHBondContact O-N 3.4Å; L183-F186 VanDerWaalsContact O-N 3.15Å; A184-F186 VanDerWaalsContact C-N 3.26Å; A184-F186 PolarHBondContact O-N 3.35Å; F186-K188 VanDerWaalsContact C-N 3.29Å; F186-K188 PolarHBondContact O-N 2.84Å; F186-R189 PolarHBondContact O-N 2.87Å; F186-L190 HydrophobicContact CE1-CD2 3.93Å; F186-L190 HydrophobicContact CZ-CD2 4.15Å; F186-L190 PolarHBondContact O-N 3.48Å; F186-Y200 HydrophobicContact CZ-CE2 4.42Å; F186-Y200 VanDerWaalsContact CZ-OH 3.3Å; F186-Y200 WeakPolarHBondContact CZ-OH 3.25Å
187L98.8Very high98.4Very high0 Ų054.3 Ų54.30%027%0.274CS..Hα-helixtrans-63.1-34.9179.9-66.3178000112.2V62 I86 F126 V154 V172 L183 A184 L190 D191V62-L187 HydrophobicContact CG2-CD1 4.1Å; I86-L187 HydrophobicContact CD1-CB 3.73Å; I86-L187 HydrophobicContact CD1-CD1 4.44Å; F126-L187 HydrophobicContact CD1-CD2 3.79Å; F126-L187 HydrophobicContact CD2-CD2 4.46Å; F126-L187 HydrophobicContact CE1-CD2 3.94Å; F126-L187 HydrophobicContact CG-CD2 4.1Å; F126-L187 HydrophobicContact CZ-CD2 4.33Å; V154-L187 HydrophobicContact CG1-CD1 4.43Å; V154-L187 HydrophobicContact CG2-CD1 4.09Å; V154-L187 HydrophobicContact CG2-CD2 3.81Å; V172-L187 HydrophobicContact CG1-CD2 4.44Å; L183-L187 HydrophobicContact CD1-CD1 4.11Å; L183-L187 HydrophobicContact CD1-CD2 4.42Å; L183-L187 HydrophobicContact CD1-CG 4.02Å; L183-L187 HydrophobicContact CG-CD1 4.05Å; L183-L187 HydrophobicContact CG-CG 4.34Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.7Å; A184-L187 PolarHBondContact O-N 2.93Å; L187-L190 PolarHBondContact O-N 2.92Å; L187-D191 WeakPolarHBondContact O-CB 3.15Å; L187-D191 PolarHBondContact O-N 3.16Å
188K98.8Very high98.3Very high87 Ų8755 Ų5538%0.37828%0.282SS..Hα-helixtrans-62.7-47.3173.8-77.9171.6166.2177.50112.5Y85 I86 A184 F186 L190 D191 E192Y85-K188 WeakPolarHBondContact O-CE 3.17Å; Y85-K188 PolarHBondContact O-NZ 3.01Å; I86-K188 HydrophobicContact CD1-CG 4.1Å; I86-K188 HydrophobicContact CG1-CG 4.39Å; A184-K188 WeakPolarHBondContact O-CB 3.19Å; A184-K188 VanDerWaalsContact O-CG 3.31Å; A184-K188 WeakPolarHBondContact O-CG 3.31Å; A184-K188 PolarHBondContact O-N 3.12Å; F186-K188 VanDerWaalsContact C-N 3.29Å; F186-K188 PolarHBondContact O-N 2.84Å; K188-L190 PolarHBondContact O-N 2.98Å; K188-D191 PolarHBondContact O-N 2.98Å; K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.83Å
189R98.4Very high98.3Very high131 Ų13155.4 Ų55.449%0.49427%0.267SS..Hα-helixtrans-59-40.2175.7-70.9-170.1-52.5-82.97111.5D185 F186 E192 N193D185-R189 WeakPolarHBondContact O-CG 3.44Å; D185-R189 PolarHBondContact O-N 2.96Å; D185-R189 PolarHBondContact O-NH1 3.34Å; F186-R189 PolarHBondContact O-N 2.87Å; R189-E192 PolarHBondContact O-N 3.23Å; R189-N193 WeakPolarHBondContact O-CB 3.5Å; R189-N193 PolarHBondContact O-N 2.77Å; R189-N193 VanDerWaalsContact O-N 3.15Å
190L98.1Very high98.3Very high1 Ų154.7 Ų54.71%0.00526%0.259CS..Hα-helixtrans-71.8-35178.7-166.159.5000112.6F126 F186 L187 K188 E192 N193 E196 Y200F126-L190 HydrophobicContact CE1-CB 4.4Å; F126-L190 HydrophobicContact CE1-CD2 3.5Å; F126-L190 HydrophobicContact CE1-CG 3.97Å; F126-L190 HydrophobicContact CZ-CB 3.84Å; F126-L190 HydrophobicContact CZ-CD2 3.81Å; F126-L190 HydrophobicContact CZ-CG 3.75Å; F186-L190 HydrophobicContact CE1-CD2 3.93Å; F186-L190 HydrophobicContact CZ-CD2 4.15Å; F186-L190 PolarHBondContact O-N 3.48Å; L187-L190 PolarHBondContact O-N 2.92Å; K188-L190 PolarHBondContact O-N 2.98Å; L190-E192 VanDerWaalsContact C-N 3.3Å; L190-E192 PolarHBondContact O-N 2.8Å; L190-N193 PolarHBondContact O-N 3.37Å; L190-E196 HydrophobicContact CD1-CB 3.57Å; L190-Y200 HydrophobicContact CD1-CD2 4.11Å; L190-Y200 HydrophobicContact CD1-CE2 3.97Å; L190-Y200 HydrophobicContact CD2-CD2 3.8Å; L190-Y200 HydrophobicContact CD2-CE2 3.54Å; L190-Y200 HydrophobicContact CG-CE2 4.44Å
191D98.4Very high98.3Very high24 Ų2455.9 Ų55.913%0.12827%0.265CS..Hα-helixtrans-63.3-37173.2-168.843.2000111.7R55 P61 K125 F126 L187 K188R55-D191 IonicContact NE-OD2 3.46Å; R55-D191 PolarHBondContact NE-OD2 3.09Å; P61-D191 HydrophobicContact CB-CB 4.38Å; K125-D191 WeakPolarHBondContact CD-OD1 3.28Å; K125-D191 PolarHBondContact NZ-O 3.33Å; K125-D191 IonicContact NZ-OD1 3.25Å; F126-D191 HydrophobicContact CE2-CB 4.07Å; L187-D191 WeakPolarHBondContact O-CB 3.15Å; L187-D191 PolarHBondContact O-N 3.16Å; K188-D191 PolarHBondContact O-N 2.98Å
192E97.6Very high98.2Very high161 Ų16155 Ų5575%0.75226%0.262SS*.Hα-helixtrans-83.4-13.7-178.6-69.1171.3-179.500113.8K188 R189 L190K188-E192 WeakPolarHBondContact O-CG 3.4Å; K188-E192 PolarHBondContact O-N 2.83Å; R189-E192 PolarHBondContact O-N 3.23Å; L190-E192 VanDerWaalsContact C-N 3.3Å; L190-E192 PolarHBondContact O-N 2.8Å
193N98.3Very high98.1Very high54 Ų5453.7 Ų53.729%0.28925%0.252SS..  trans-121.695-177-172-18.5000111.4R189 L190 D195 E196 Y197R189-N193 WeakPolarHBondContact O-CB 3.5Å; R189-N193 PolarHBondContact O-N 2.77Å; R189-N193 VanDerWaalsContact O-N 3.15Å; L190-N193 PolarHBondContact O-N 3.37Å; N193-D195 VanDerWaalsContact C-N 3.28Å; N193-D195 PolarHBondContact O-N 3.23Å; N193-D195 PolarHBondContact OD1-N 2.96Å; N193-D195 VanDerWaalsContact OD1-N 3.15Å; N193-E196 HydrophobicContact CB-CB 4.13Å; N193-E196 HydrophobicContact CB-CG 4.43Å; N193-E196 VanDerWaalsContact ND2-CD 3.26Å; N193-E196 WeakPolarHBondContact ND2-CG 3.4Å; N193-E196 PolarHBondContact ND2-OE1 3Å; N193-E196 VanDerWaalsContact ND2-OE1 3.14Å; N193-E196 PolarHBondContact O-N 2.96Å; N193-E196 PolarHBondContact OD1-N 3.33Å; N193-E196 VanDerWaalsContact OD1-N 3.14Å; N193-Y197 PolarHBondContact O-N 3.43Å
194D98.1Very high98Very high60 Ų6055.5 Ų55.532%0.32126%0.26SS..Hα-helixtrans-59-37.1179.5-78.3-12.4000112.8L48 N52 K125 E196 Y197 V198L48-D194 HydrophobicContact CD2-CB 3.8Å; N52-D194 VanDerWaalsContact ND2-CG 3.27Å; N52-D194 PolarHBondContact ND2-OD1 3.09Å; N52-D194 PolarHBondContact ND2-OD2 2.79Å; K125-D194 IonicContact NZ-OD1 2.73Å; K125-D194 PolarHBondContact NZ-OD1 3.05Å; D194-E196 PolarHBondContact O-N 3.18Å; D194-Y197 PolarHBondContact O-N 3.47Å; D194-V198 WeakPolarHBondContact O-CG1 3.45Å; D194-V198 WeakPolarHBondContact O-CG2 3.28Å; D194-V198 PolarHBondContact O-N 3.39Å
195D98.1Very high97.9Very high120 Ų12057.6 Ų57.664%0.64227%0.271SS*.Hα-helixtrans-67-36.8179.7-72-22.4000112N193 V198 R199N193-D195 VanDerWaalsContact C-N 3.28Å; N193-D195 PolarHBondContact O-N 3.23Å; N193-D195 PolarHBondContact OD1-N 2.96Å; N193-D195 VanDerWaalsContact OD1-N 3.15Å; D195-V198 WeakPolarHBondContact O-CG2 3.42Å; D195-R199 WeakPolarHBondContact O-CG 3.38Å
196E97.6Very high97.7Very high79 Ų7958.7 Ų58.737%0.36928%0.281SS..Hα-helixtrans-73.2-38.7172.5-76-179.1-159.800111.3L190 N193 D194 R199L190-E196 HydrophobicContact CD1-CB 3.57Å; N193-E196 HydrophobicContact CB-CB 4.13Å; N193-E196 HydrophobicContact CB-CG 4.43Å; N193-E196 VanDerWaalsContact ND2-CD 3.26Å; N193-E196 WeakPolarHBondContact ND2-CG 3.4Å; N193-E196 PolarHBondContact ND2-OE1 3Å; N193-E196 VanDerWaalsContact ND2-OE1 3.14Å; N193-E196 PolarHBondContact O-N 2.96Å; N193-E196 PolarHBondContact OD1-N 3.33Å; N193-E196 VanDerWaalsContact OD1-N 3.14Å; D194-E196 PolarHBondContact O-N 3.18Å; E196-R199 WeakPolarHBondContact O-CB 3.01Å; E196-R199 PolarHBondContact O-N 3.2Å
197Y98.3Very high97.6Very high1 Ų166.9 Ų66.90%0.00431%0.311CS..Hα-helixtrans-61.5-47179.1173.3-98.3000112L48 K51 K125 F126 G150 V152 N193 D194 R199 Y200 L201L48-Y197 HydrophobicContact CD1-CD1 3.61Å; L48-Y197 HydrophobicContact CD1-CE1 3.68Å; L48-Y197 HydrophobicContact CD2-CD1 4.07Å; L48-Y197 HydrophobicContact CG-CD1 4.45Å; K51-Y197 PolarHBondContact NZ-OH 2.9Å; K125-Y197 HydrophobicContact CB-CD2 4.23Å; K125-Y197 HydrophobicContact CB-CE2 3.56Å; K125-Y197 HydrophobicContact CD-CD2 3.94Å; K125-Y197 HydrophobicContact CD-CE2 3.97Å; K125-Y197 HydrophobicContact CD-CG 4.22Å; K125-Y197 HydrophobicContact CG-CD2 4.37Å; K125-Y197 HydrophobicContact CG-CE2 3.87Å; K125-Y197 WeakPolarHBondContact O-CE2 3.28Å; K125-Y197 PolarHBondContact O-OH 3Å; F126-Y197 HydrophobicContact CE1-CD2 4.16Å; F126-Y197 HydrophobicContact CE1-CE2 4.25Å; F126-Y197 HydrophobicContact CZ-CD2 4.13Å; F126-Y197 HydrophobicContact CZ-CE2 4.45Å; G150-Y197 PolarHBondContact O-OH 2.86Å; V152-Y197 HydrophobicContact CB-CE2 4.45Å; V152-Y197 HydrophobicContact CG2-CD2 4.05Å; V152-Y197 HydrophobicContact CG2-CE2 3.53Å; N193-Y197 PolarHBondContact O-N 3.43Å; D194-Y197 PolarHBondContact O-N 3.47Å; Y197-R199 PolarHBondContact O-N 2.88Å; Y197-Y200 WeakPolarHBondContact O-CB 3.18Å; Y197-Y200 PolarHBondContact O-N 3.43Å; Y197-L201 HydrophobicContact CE1-CD1 3.77Å
198V97Very high97.6Very high63 Ų6372.9 Ų72.938%0.38233%0.333SS..Hα-helixtrans-65.2-23.6-177.1-65.50000113.1L48 D194 D195 Y200 L201 E202L48-V198 HydrophobicContact CD2-CG1 3.48Å; L48-V198 VanDerWaalsContact CD2-CG1 3.48Å; D194-V198 WeakPolarHBondContact O-CG1 3.45Å; D194-V198 WeakPolarHBondContact O-CG2 3.28Å; D194-V198 PolarHBondContact O-N 3.39Å; D195-V198 WeakPolarHBondContact O-CG2 3.42Å; V198-Y200 PolarHBondContact O-N 3.38Å; V198-L201 WeakPolarHBondContact O-CA 3.41Å; V198-L201 PolarHBondContact O-N 3.1Å; V198-E202 PolarHBondContact O-N 2.65Å
199R97.8Very high97.5Very high132 Ų13269.4 Ų69.450%0.49832%0.319SS..Hα-helixtrans-59-33.8173.8-70.3177.3-175.7168.74.5111.6D195 E196 Y197 L201 E202D195-R199 WeakPolarHBondContact O-CG 3.38Å; E196-R199 WeakPolarHBondContact O-CB 3.01Å; E196-R199 PolarHBondContact O-N 3.2Å; Y197-R199 PolarHBondContact O-N 2.88Å; R199-L201 PolarHBondContact O-N 3.23Å; R199-E202 WeakPolarHBondContact O-CB 3.39Å; R199-E202 PolarHBondContact O-N 3.37Å
200Y98.2Very high97.5Very high23 Ų2367.7 Ų67.79%0.0932%0.323CS..THydrogen-bonded Turntrans-67.1-16176.1-78.2-92.4000114.4V152 H169 V172 F186 L190 Y197 V198 F203V152-Y200 HydrophobicContact CG1-CD1 3.63Å; V152-Y200 HydrophobicContact CG1-CE1 4.28Å; V152-Y200 HydrophobicContact CG1-CG 3.92Å; V152-Y200 VanDerWaalsContact CG2-CB 3.41Å; V152-Y200 HydrophobicContact CG2-CG 4.04Å; H169-Y200 AromaticContact CE1-CE2 3.67Å; H169-Y200 AromaticContact CE1-CZ 3.6Å; H169-Y200 AromaticContact NE2-CD2 3.59Å; H169-Y200 AromaticContact NE2-CE2 3.33Å; H169-Y200 VanDerWaalsContact NE2-CE2 3.33Å; H169-Y200 WeakPolarHBondContact NE2-CE2 3.46Å; H169-Y200 AromaticContact NE2-CZ 3.68Å; H169-Y200 VanDerWaalsContact O-CA 3.23Å; H169-Y200 WeakPolarHBondContact O-CA 3.45Å; H169-Y200 WeakPolarHBondContact O-CD1 3.36Å; V172-Y200 HydrophobicContact CG2-CD1 4.4Å; V172-Y200 HydrophobicContact CG2-CE1 3.71Å; F186-Y200 HydrophobicContact CZ-CE2 4.42Å; F186-Y200 VanDerWaalsContact CZ-OH 3.3Å; F186-Y200 WeakPolarHBondContact CZ-OH 3.25Å; L190-Y200 HydrophobicContact CD1-CD2 4.11Å; L190-Y200 HydrophobicContact CD1-CE2 3.97Å; L190-Y200 HydrophobicContact CD2-CD2 3.8Å; L190-Y200 HydrophobicContact CD2-CE2 3.54Å; L190-Y200 HydrophobicContact CG-CE2 4.44Å; Y197-Y200 WeakPolarHBondContact O-CB 3.18Å; Y197-Y200 PolarHBondContact O-N 3.43Å; V198-Y200 PolarHBondContact O-N 3.38Å; Y200-F203 VanDerWaalsContact O-CD1 3.32Å; Y200-F203 WeakPolarHBondContact O-CD1 3.45Å; Y200-F203 VanDerWaalsContact O-CE1 3.29Å; Y200-F203 WeakPolarHBondContact O-CE1 3.5Å
201L97.5Very high97.5Very high27 Ų2769 Ų6914%0.14133%0.33CS..THydrogen-bonded Turntrans-105.44.3179.9-54.7-176.8000112.2G150 V152 Y197 V198 R199 F203 K204G150-L201 WeakPolarHBondContact O-CD1 3.28Å; V152-L201 HydrophobicContact CG2-CD2 4.26Å; Y197-L201 HydrophobicContact CE1-CD1 3.77Å; V198-L201 WeakPolarHBondContact O-CA 3.41Å; V198-L201 PolarHBondContact O-N 3.1Å; R199-L201 PolarHBondContact O-N 3.23Å; L201-F203 HydrophobicContact CD2-CE1 4.31Å; L201-F203 PolarHBondContact O-N 3.37Å; L201-F203 VanDerWaalsContact O-N 3.11Å; L201-K204 VanDerWaalsContact O-CB 3.26Å; L201-K204 WeakPolarHBondContact O-CB 3.48Å; L201-K204 VanDerWaalsContact O-CG 3.26Å; L201-K204 WeakPolarHBondContact O-CG 3.29Å; L201-K204 PolarHBondContact O-N 3.4Å
202E97Very high97.4Very high72 Ų7272.1 Ų72.134%0.33635%0.35SS..G310 helixtrans-58.5-28.2-178.9-83-176.7-166.900112.9V198 R199 K204 D205 R208V198-E202 PolarHBondContact O-N 2.65Å; R199-E202 WeakPolarHBondContact O-CB 3.39Å; R199-E202 PolarHBondContact O-N 3.37Å; E202-K204 PolarHBondContact O-N 3.47Å; E202-D205 PolarHBondContact O-N 2.83Å; E202-R208 HydrophobicContact CB-CB 4.34Å; E202-R208 HydrophobicContact CB-CG 4.22Å; E202-R208 WeakPolarHBondContact O-CB 3.26Å; E202-R208 WeakPolarHBondContact O-CG 3.46Å; E202-R208 IonicContact OE2-CZ 3.08Å; E202-R208 IonicContact OE2-NE 3.96Å; E202-R208 IonicContact OE2-NH1 3.72Å; E202-R208 PolarHBondContact OE2-NH1 3.36Å
203F97.1Very high97.4Very high0 Ų069.9 Ų69.90%034%0.335CS..G310 helixtrans-59.6-14.617674.8-92000114L40 L147 P166 Y200 L201 D205 I209L40-F203 HydrophobicContact CB-CE2 4.33Å; L147-F203 HydrophobicContact CB-CE2 4.33Å; L147-F203 HydrophobicContact CB-CZ 3.96Å; L147-F203 HydrophobicContact CD2-CE1 3.81Å; L147-F203 HydrophobicContact CD2-CE2 4.5Å; L147-F203 HydrophobicContact CD2-CZ 3.72Å; L147-F203 HydrophobicContact CG-CZ 4.47Å; L147-F203 WeakPolarHBondContact O-CZ 3.31Å; P166-F203 HydrophobicContact CB-CB 3.55Å; P166-F203 HydrophobicContact CB-CD2 4.21Å; P166-F203 HydrophobicContact CB-CG 4Å; P166-F203 HydrophobicContact CG-CB 4.24Å; P166-F203 HydrophobicContact CG-CD2 4.01Å; P166-F203 HydrophobicContact CG-CG 4.14Å; Y200-F203 VanDerWaalsContact O-CD1 3.32Å; Y200-F203 WeakPolarHBondContact O-CD1 3.45Å; Y200-F203 VanDerWaalsContact O-CE1 3.29Å; Y200-F203 WeakPolarHBondContact O-CE1 3.5Å; L201-F203 HydrophobicContact CD2-CE1 4.31Å; L201-F203 PolarHBondContact O-N 3.37Å; L201-F203 VanDerWaalsContact O-N 3.11Å; F203-D205 PolarHBondContact O-N 3.45Å; F203-I209 HydrophobicContact CB-CG1 4.37Å; F203-I209 WeakPolarHBondContact O-CG1 3.4Å
204K96.7Very high97.4Very high38 Ų3867.3 Ų67.317%0.16532%0.321CS..G310 helixtrans-63.7-19.3170.9-67-62.7-169.6167.80112.9L40 L41 E42 V44 L147 H148 L201 E202L40-K204 WeakPolarHBondContact O-CD 3.41Å; L40-K204 WeakPolarHBondContact O-CE 3.27Å; L40-K204 PolarHBondContact O-NZ 3.35Å; L41-K204 WeakPolarHBondContact CD2-O 3.42Å; E42-K204 PolarHBondContact O-NZ 3.04Å; V44-K204 HydrophobicContact CG1-CG 4.48Å; L147-K204 WeakPolarHBondContact O-CE 3.22Å; L147-K204 PolarHBondContact O-NZ 3.35Å; H148-K204 PolarHBondContact O-NZ 3.02Å; L201-K204 VanDerWaalsContact O-CB 3.26Å; L201-K204 WeakPolarHBondContact O-CB 3.48Å; L201-K204 VanDerWaalsContact O-CG 3.26Å; L201-K204 WeakPolarHBondContact O-CG 3.29Å; L201-K204 PolarHBondContact O-N 3.4Å; E202-K204 PolarHBondContact O-N 3.47Å
205D96.4Very high97.4Very high44 Ų4467.5 Ų67.524%0.23532%0.322CS..SBendtrans-86.6119.6163.8-179-13.1000108.9E202 F203 R207 R208E202-D205 PolarHBondContact O-N 2.83Å; F203-D205 PolarHBondContact O-N 3.45Å; D205-R207 PolarHBondContact O-N 3.35Å; D205-R207 WeakPolarHBondContact OD1-CB 3.49Å; D205-R207 WeakPolarHBondContact OD1-CG 3.36Å; D205-R207 IonicContact OD1-CZ 3.26Å; D205-R207 PolarHBondContact OD1-N 2.72Å; D205-R207 IonicContact OD1-NE 3.67Å; D205-R207 PolarHBondContact OD1-NE 3.46Å; D205-R207 IonicContact OD1-NH2 3.26Å; D205-R207 IonicContact OD2-CZ 3.96Å; D205-R207 VanDerWaalsContact OD2-CZ 3.26Å; D205-R207 IonicContact OD2-NE 3.89Å; D205-R207 PolarHBondContact OD2-NE 3.04Å; D205-R207 IonicContact OD2-NH2 3.6Å; D205-R207 PolarHBondContact OD2-NH2 3.09Å; D205-R208 HydrophobicContact CB-CB 4.36Å; D205-R208 HydrophobicContact CB-CG 3.84Å; D205-R208 WeakPolarHBondContact O-CB 3.31Å; D205-R208 PolarHBondContact O-N 2.95Å
206P95.5Very high97.3Very high77 Ų7767.8 Ų67.850%0.532%0.319SS..G310 helixtrans-52.4-29.4179.5-23.530000113.8L41 R208 I209L41-P206 HydrophobicContact CD1-CB 4.21Å; L41-P206 HydrophobicContact CD1-CG 3.76Å; L41-P206 HydrophobicContact CD2-CB 4.26Å; L41-P206 HydrophobicContact CD2-CG 3.75Å; L41-P206 HydrophobicContact CG-CG 4.36Å; P206-R208 PolarHBondContact O-N 3.48Å; P206-I209 PolarHBondContact O-N 3.42Å
207R96.4Very high97.2Very high210 Ų21064.9 Ų64.979%0.79231%0.31SS*.G310 helixtrans-70.9-15179.1-58.5172.1-65.7179.82.5113.3D205D205-R207 PolarHBondContact O-N 3.35Å; D205-R207 WeakPolarHBondContact OD1-CB 3.49Å; D205-R207 WeakPolarHBondContact OD1-CG 3.36Å; D205-R207 IonicContact OD1-CZ 3.26Å; D205-R207 PolarHBondContact OD1-N 2.72Å; D205-R207 IonicContact OD1-NE 3.67Å; D205-R207 PolarHBondContact OD1-NE 3.46Å; D205-R207 IonicContact OD1-NH2 3.26Å; D205-R207 IonicContact OD2-CZ 3.96Å; D205-R207 VanDerWaalsContact OD2-CZ 3.26Å; D205-R207 IonicContact OD2-NE 3.89Å; D205-R207 PolarHBondContact OD2-NE 3.04Å; D205-R207 IonicContact OD2-NH2 3.6Å; D205-R207 PolarHBondContact OD2-NH2 3.09Å
208R97.4Very high97.1Very high126 Ų12665.7 Ų65.748%0.47532%0.315SS..G310 helixtrans-980.8179.1-61.4-69-171157.86.9112.6N167 E202 D205 P206N167-R208 PolarHBondContact ND2-O 3.47Å; E202-R208 HydrophobicContact CB-CB 4.34Å; E202-R208 HydrophobicContact CB-CG 4.22Å; E202-R208 WeakPolarHBondContact O-CB 3.26Å; E202-R208 WeakPolarHBondContact O-CG 3.46Å; E202-R208 IonicContact OE2-CZ 3.08Å; E202-R208 IonicContact OE2-NE 3.96Å; E202-R208 IonicContact OE2-NH1 3.72Å; E202-R208 PolarHBondContact OE2-NH1 3.36Å; D205-R208 HydrophobicContact CB-CB 4.36Å; D205-R208 HydrophobicContact CB-CG 3.84Å; D205-R208 WeakPolarHBondContact O-CB 3.31Å; D205-R208 PolarHBondContact O-N 2.95Å; P206-R208 PolarHBondContact O-N 3.48Å
209I97.8Very high96.9Very high14 Ų1469.4 Ų69.47%0.07233%0.332CS..  trans-86.8109.3169.9-55-173.2000107.5L37 L41 P166 F203 P206 L215L37-I209 HydrophobicContact CD1-CD1 3.54Å; L37-I209 HydrophobicContact CD1-CG2 4.4Å; L37-I209 HydrophobicContact CG-CD1 4.21Å; L41-I209 HydrophobicContact CD2-CD1 3.88Å; L41-I209 HydrophobicContact CG-CD1 4.46Å; P166-I209 HydrophobicContact CB-CG1 4.24Å; P166-I209 HydrophobicContact CB-CG2 4.25Å; P166-I209 CarbonylContact O-C 3.5Å; P166-I209 WeakPolarHBondContact O-CA 3.24Å; F203-I209 HydrophobicContact CB-CG1 4.37Å; F203-I209 WeakPolarHBondContact O-CG1 3.4Å; P206-I209 PolarHBondContact O-N 3.42Å; I209-L215 HydrophobicContact CG2-CD2 4.06Å; I209-L215 HydrophobicContact CG2-CG 4.43Å
210T97.8Very high96.7Very high96 Ų9667.2 Ų67.259%0.58934%0.338SS*.  trans-112.7-12-171.256.40000113.2P166 T212P166-T210 PolarHBondContact O-N 2.62Å; T210-T212 PolarHBondContact O-N 3.15Å
211N98.2Very high96.4Very high27 Ų2767.2 Ų67.214%0.14434%0.337CS..  trans-78104.3-176.8-174.5-18.9000111.9D163 M165 P166 R213 L214 L215D163-N211 PolarHBondContact O-ND2 2.88Å; D163-N211 PolarHBondContact O-OD1 2.84Å; M165-N211 WeakPolarHBondContact O-CB 3.09Å; M165-N211 PolarHBondContact O-ND2 2.81Å; P166-N211 PolarHBondContact O-N 2.74Å; N211-R213 VanDerWaalsContact C-N 3.34Å; N211-R213 PolarHBondContact O-N 3.27Å; N211-R213 WeakPolarHBondContact OD1-CB 3.47Å; N211-R213 PolarHBondContact OD1-N 3.5Å; N211-L214 HydrophobicContact CB-CB 4.15Å; N211-L214 PolarHBondContact O-N 3.12Å; N211-L214 PolarHBondContact OD1-N 3.37Å; N211-L215 WeakPolarHBondContact O-CG 3.48Å; N211-L215 PolarHBondContact O-N 3.36Å
212T97.6Very high96.1Very high90 Ų9072 Ų7255%0.55236%0.359SS*.Hα-helixtrans-65.4-33.5179.851.80000113.3T210 L214 L215 E216T210-T212 PolarHBondContact O-N 3.15Å; T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 3.25Å; T212-L215 PolarHBondContact O-N 2.99Å; T212-E216 WeakPolarHBondContact O-CB 3.45Å; T212-E216 VanDerWaalsContact O-CG 3.26Å; T212-E216 WeakPolarHBondContact O-CG 3.35Å; T212-E216 PolarHBondContact O-N 3.39Å
213R97.4Very high95.9Very high114 Ų11469 Ų6943%0.4335%0.345SS..Hα-helixtrans-63.8-41.7178.2179.9-176.3-63.1-75.5-2.9111.5D163 W164 N211 G217D163-R213 WeakPolarHBondContact O-CD 3.42Å; W164-R213 HydrophobicContact CE3-CG 4.17Å; W164-R213 HydrophobicContact CH2-CG 4.04Å; W164-R213 HydrophobicContact CZ3-CG 3.82Å; N211-R213 VanDerWaalsContact C-N 3.34Å; N211-R213 PolarHBondContact O-N 3.27Å; N211-R213 WeakPolarHBondContact OD1-CB 3.47Å; N211-R213 PolarHBondContact OD1-N 3.5Å; R213-G217 PolarHBondContact O-N 3.07Å
214L97.9Very high95.6Very high0 Ų069.1 Ų69.10%035%0.346CS..Hα-helixtrans-60.5-48.9175.4173.662.5000110.6L31 L34 W144 P166 N211 T212 G217 L218L31-L214 HydrophobicContact CD1-CD1 4.05Å; L31-L214 HydrophobicContact CD2-CD1 4.1Å; L34-L214 HydrophobicContact CD2-CD1 3.69Å; W144-L214 HydrophobicContact CH2-CD1 4.44Å; P166-L214 HydrophobicContact CB-CD2 4.42Å; P166-L214 HydrophobicContact CG-CD2 4.18Å; N211-L214 HydrophobicContact CB-CB 4.15Å; N211-L214 PolarHBondContact O-N 3.12Å; N211-L214 PolarHBondContact OD1-N 3.37Å; T212-L214 VanDerWaalsContact C-N 3.34Å; T212-L214 PolarHBondContact O-N 3.25Å; L214-G217 PolarHBondContact O-N 3.39Å; L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CG-CD1 4.34Å; L214-L218 WeakPolarHBondContact O-CG 3.37Å; L214-L218 PolarHBondContact O-N 2.99Å
215L97.5Very high95.1Very high65 Ų6568.6 Ų68.634%0.3435%0.346SS..Hα-helixtrans-62.8-49.2-178.8-64.2175000111.6L37 I209 N211 T212 G217 L218 D219L37-L215 HydrophobicContact CD1-CD2 4.01Å; L37-L215 HydrophobicContact CD2-CD2 3.76Å; I209-L215 HydrophobicContact CG2-CD2 4.06Å; I209-L215 HydrophobicContact CG2-CG 4.43Å; N211-L215 WeakPolarHBondContact O-CG 3.48Å; N211-L215 PolarHBondContact O-N 3.36Å; T212-L215 PolarHBondContact O-N 2.99Å; L215-G217 VanDerWaalsContact C-N 3.33Å; L215-G217 PolarHBondContact O-N 3.48Å; L215-L218 PolarHBondContact O-N 3.11Å; L215-D219 WeakPolarHBondContact O-CB 3.45Å; L215-D219 PolarHBondContact O-N 2.99Å
216E96.6Very high94.2Very high125 Ų12573.9 Ų73.958%0.58437%0.374SS*.Hα-helixtrans-60.2-42.5176.7-72.5170.3-175.300111.4T212 L218 D219 S220T212-E216 WeakPolarHBondContact O-CB 3.45Å; T212-E216 VanDerWaalsContact O-CG 3.26Å; T212-E216 WeakPolarHBondContact O-CG 3.35Å; T212-E216 PolarHBondContact O-N 3.39Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 2.93Å; E216-D219 PolarHBondContact O-N 3.32Å; E216-S220 VanDerWaalsContact O-CB 3.24Å; E216-S220 WeakPolarHBondContact O-CB 3Å; E216-S220 PolarHBondContact O-N 3.43Å; E216-S220 PolarHBondContact O-OG 3.28Å; E216-S220 VanDerWaalsContact O-OG 3.08Å
217G95.7Very high93.7Very high18 Ų1873.1 Ų73.119%0.18637%0.366CS..Hα-helixtrans-65.9-33.1179.400000114.1R213 L214 L215R213-G217 PolarHBondContact O-N 3.07Å; L214-G217 PolarHBondContact O-N 3.39Å; L215-G217 VanDerWaalsContact C-N 3.33Å; L215-G217 PolarHBondContact O-N 3.48Å
218L95.3Very high93.1Very high19 Ų1972.2 Ų72.210%0.09937%0.373CS..Hα-helixtrans-75.6-37.2174.3-72.7174.8000112.3L31 L34 L37 L214 L215 E216 R221L31-L218 HydrophobicContact CB-CD2 4.43Å; L31-L218 HydrophobicContact CD1-CD2 3.87Å; L31-L218 HydrophobicContact CD1-CG 3.91Å; L34-L218 HydrophobicContact CD2-CD1 3.98Å; L34-L218 HydrophobicContact CD2-CD2 4.04Å; L34-L218 HydrophobicContact CD2-CG 4.41Å; L34-L218 HydrophobicContact CG-CD2 4.23Å; L37-L218 HydrophobicContact CB-CD1 4.19Å; L37-L218 HydrophobicContact CD1-CD1 4.3Å; L214-L218 HydrophobicContact CD1-CD1 4.09Å; L214-L218 HydrophobicContact CD1-CG 4.32Å; L214-L218 HydrophobicContact CG-CD1 4.34Å; L214-L218 WeakPolarHBondContact O-CG 3.37Å; L214-L218 PolarHBondContact O-N 2.99Å; L215-L218 PolarHBondContact O-N 3.11Å; E216-L218 VanDerWaalsContact C-N 3.35Å; E216-L218 PolarHBondContact O-N 2.93Å; L218-R221 WeakPolarHBondContact O-CG 3.31Å
219D94.1Very high92.6Very high140 Ų14071.1 Ų71.175%0.74939%0.385SS*.Hα-helixtrans-72.4-47.8179.9-173.860.5000111.6L215 E216 R221L215-D219 WeakPolarHBondContact O-CB 3.45Å; L215-D219 PolarHBondContact O-N 2.99Å; E216-D219 PolarHBondContact O-N 3.32Å; D219-R221 PolarHBondContact O-N 2.99Å
220S92.1Very high92.3Very high87 Ų8773.7 Ų73.761%0.60840%0.395SS*.Hα-helixtrans-79.2-13.3-171.180.40000114.5E216E216-S220 VanDerWaalsContact O-CB 3.24Å; E216-S220 WeakPolarHBondContact O-CB 3Å; E216-S220 PolarHBondContact O-N 3.43Å; E216-S220 PolarHBondContact O-OG 3.28Å; E216-S220 VanDerWaalsContact O-OG 3.08Å
221R92.5Very high92Very high23 Ų2371.9 Ų71.99%0.08739%0.385CS..  trans-72.5134.8-178.868.4176.5-177-167.3-3.3111.5L31 L34 P35 L218 D219 W223 K230L31-R221 PolarHBondContact O-NH1 3.43Å; L34-R221 PolarHBondContact O-NH1 3.08Å; L34-R221 PolarHBondContact O-NH2 3.18Å; P35-R221 PolarHBondContact O-NH2 3.3Å; L218-R221 WeakPolarHBondContact O-CG 3.31Å; D219-R221 PolarHBondContact O-N 2.99Å; R221-W223 VanDerWaalsContact C-N 3.32Å; R221-W223 HydrophobicContact CB-CZ2 4.47Å; R221-W223 VanDerWaalsContact NH1-CH2 3.32Å; R221-W223 VanDerWaalsContact NH1-CZ3 3.32Å; R221-K230 PolarHBondContact O-NZ 2.83Å
222E91.4Very high91.7Very high128 Ų12873.8 Ų73.860%0.59840%0.395SS*.SBendtrans-84-9.7-177.3-60.6179.4153.100113.2P231E222-P231 VanDerWaalsContact O-CD 3.3Å; E222-P231 WeakPolarHBondContact O-CD 3.24Å; E222-P231 VanDerWaalsContact O-CG 3.29Å; E222-P231 WeakPolarHBondContact O-CG 3.47Å
223W93.6Very high91.4Very high8 Ų873.5 Ų73.53%0.0339%0.385CS..  trans-112.8156.5-178.453.6-90.5000112.2Y27 P28 L29 Q32 R221 V225 P231Y27-W223 HydrophobicContact CE1-CB 4.43Å; Y27-W223 AromaticContact CE1-CD1 3.16Å; Y27-W223 AromaticContact CE1-CG 3.98Å; Y27-W223 HydrophobicContact CE1-CG 3.98Å; Y27-W223 AromaticContact CE1-NE1 3.75Å; Y27-W223 AromaticContact CZ-CD1 3.43Å; Y27-W223 VanDerWaalsContact CZ-CD1 3.43Å; P28-W223 WeakPolarHBondContact O-CZ2 2.88Å; P28-W223 PolarHBondContact O-NE1 3.4Å; P28-W223 VanDerWaalsContact O-NE1 3.17Å; L29-W223 HydrophobicContact CD2-CD2 4.27Å; L29-W223 HydrophobicContact CD2-CZ2 3.97Å; Q32-W223 VanDerWaalsContact CA-CH2 3.45Å; Q32-W223 HydrophobicContact CB-CH2 3.95Å; Q32-W223 HydrophobicContact CB-CZ3 4.17Å; R221-W223 VanDerWaalsContact C-N 3.32Å; R221-W223 HydrophobicContact CB-CZ2 4.47Å; R221-W223 VanDerWaalsContact NH1-CH2 3.32Å; R221-W223 VanDerWaalsContact NH1-CZ3 3.32Å; W223-V225 HydrophobicContact CE3-CG2 4.17Å; W223-V225 HydrophobicContact CZ3-CG2 3.74Å; W223-P231 CarbonylContact C-O 3.56Å; W223-P231 VanDerWaalsContact CA-O 3.27Å; W223-P231 WeakPolarHBondContact CA-O 3.31Å
224G89.6Confident91.2Very high3 Ų373 Ų733%0.03139%0.39CS..BIsolated β-bridgetrans-123.6162.5178.400000113.1P231G224-P231 PolarHBondContact N-O 3.03Å
225V86.3Confident90.9Very high27 Ų2776.6 Ų76.616%0.16441%0.409CS..SBendtrans-120.5113.8175-178.60000106.3Q32 P35 W223 D227Q32-V225 VanDerWaalsContact O-CG2 3.23Å; Q32-V225 WeakPolarHBondContact O-CG2 3.42Å; P35-V225 HydrophobicContact CB-CB 4.31Å; P35-V225 HydrophobicContact CG-CG1 4.33Å; W223-V225 HydrophobicContact CE3-CG2 4.17Å; W223-V225 HydrophobicContact CZ3-CG2 3.74Å; V225-D227 PolarHBondContact O-N 3.43Å; V225-D227 VanDerWaalsContact O-N 3.1Å
226N78.2Confident90.8Very high155 Ų15573.7 Ų73.783%0.82940%0.395SS*.SBendtrans54.823.8-171.4-55.2-32.5000114
227D83.7Confident90.8Very high61 Ų6170.1 Ų70.133%0.32638%0.377SS..  trans-105.7111.6177.8176.70.6000108.9V225 S229 K230V225-D227 PolarHBondContact O-N 3.43Å; V225-D227 VanDerWaalsContact O-N 3.1Å; D227-S229 VanDerWaalsContact CG-OG 3.29Å; D227-S229 PolarHBondContact O-N 3.15Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.33Å; D227-S229 PolarHBondContact OD1-N 2.73Å; D227-S229 PolarHBondContact OD1-OG 3.28Å; D227-S229 PolarHBondContact OD2-OG 3.17Å; D227-K230 PolarHBondContact O-N 3.18Å; D227-K230 VanDerWaalsContact O-O 3.05Å; D227-K230 WeakPolarHBondContact OD2-CG 3.27Å
228M84.3Confident90.8Very high190 Ų19075.2 Ų75.294%0.93640%0.396SS*.THydrogen-bonded Turntrans-73.8-11.6-178.9-65.7-62.2-63.400113.4
229S87.9Confident90.9Very high103 Ų10377.9 Ų77.972%0.7242%0.416SS*.THydrogen-bonded Turntrans-85.7-17.3178.376.60000113.3D227D227-S229 VanDerWaalsContact CG-OG 3.29Å; D227-S229 PolarHBondContact O-N 3.15Å; D227-S229 WeakPolarHBondContact OD1-CA 3.37Å; D227-S229 VanDerWaalsContact OD1-CB 3.29Å; D227-S229 WeakPolarHBondContact OD1-CB 3.33Å; D227-S229 PolarHBondContact OD1-N 2.73Å; D227-S229 PolarHBondContact OD1-OG 3.28Å; D227-S229 PolarHBondContact OD2-OG 3.17Å
230K89.7Confident91Very high69 Ų6973.4 Ų73.430%0.339%0.389SS..SBendtrans-116.1154.5178.8-69.3-172.1178.5-167.80110.9R221 D227R221-K230 PolarHBondContact O-NZ 2.83Å; D227-K230 PolarHBondContact O-N 3.18Å; D227-K230 VanDerWaalsContact O-O 3.05Å; D227-K230 WeakPolarHBondContact OD2-CG 3.27Å
231P92.1Very high91.2Very high58 Ų5871.4 Ų71.438%0.37737%0.373SS..  trans-61147.616628.3-34.8000109.9E222 W223 G224 N235E222-P231 VanDerWaalsContact O-CD 3.3Å; E222-P231 WeakPolarHBondContact O-CD 3.24Å; E222-P231 VanDerWaalsContact O-CG 3.29Å; E222-P231 WeakPolarHBondContact O-CG 3.47Å; W223-P231 CarbonylContact C-O 3.56Å; W223-P231 VanDerWaalsContact CA-O 3.27Å; W223-P231 WeakPolarHBondContact CA-O 3.31Å; G224-P231 PolarHBondContact N-O 3.03Å; P231-N235 HydrophobicContact CB-CB 4.19Å
232N92.3Very high91.4Very high66 Ų6673.8 Ų73.835%0.35339%0.392SS..BIsolated β-bridgetrans-64.3159.4164.573.261.8000109.5L234 N235 G236N232-L234 PolarHBondContact O-N 3.3Å; N232-L234 VanDerWaalsContact O-N 3.16Å; N232-L234 WeakPolarHBondContact OD1-CA 3.23Å; N232-L234 VanDerWaalsContact OD1-CB 3.27Å; N232-L234 WeakPolarHBondContact OD1-CB 3.33Å; N232-L234 PolarHBondContact OD1-N 3.14Å; N232-N235 VanDerWaalsContact ND2-CG 3.29Å; N232-N235 PolarHBondContact ND2-ND2 2.85Å; N232-N235 PolarHBondContact ND2-OD1 3.45Å; N232-N235 PolarHBondContact O-N 3.26Å; N232-N235 PolarHBondContact OD1-N 3Å; N232-N235 PolarHBondContact OD1-OD1 2.95Å; N232-G236 PolarHBondContact O-N 2.72Å
233Y91.7Very high91.6Very high85 Ų8572.5 Ų72.533%0.33339%0.389SS..Hα-helixtrans-61.7-24.5-175.457.4-97.5000114.6L29 F237L29-Y233 HydrophobicContact CD1-CD2 4.21Å; L29-Y233 HydrophobicContact CD2-CG 4.41Å; Y233-F237 VanDerWaalsContact O-CB 3.31Å; Y233-F237 WeakPolarHBondContact O-CB 3.23Å; Y233-F237 PolarHBondContact O-N 3.2Å
234L92.2Very high91.7Very high103 Ų10375.2 Ų75.254%0.53940%0.402SS..Hα-helixtrans-71-54174.2-62.4172.2000110.2N232 G236 F237 E238N232-L234 PolarHBondContact O-N 3.3Å; N232-L234 VanDerWaalsContact O-N 3.16Å; N232-L234 WeakPolarHBondContact OD1-CA 3.23Å; N232-L234 VanDerWaalsContact OD1-CB 3.27Å; N232-L234 WeakPolarHBondContact OD1-CB 3.33Å; N232-L234 PolarHBondContact OD1-N 3.14Å; L234-G236 VanDerWaalsContact C-N 3.27Å; L234-G236 PolarHBondContact O-N 3.08Å; L234-F237 PolarHBondContact O-N 3.32Å; L234-F237 VanDerWaalsContact O-N 3.15Å; L234-E238 WeakPolarHBondContact O-CG 3.49Å; L234-E238 PolarHBondContact O-N 2.74Å
235N93.2Very high92Very high76 Ų7677.5 Ų77.541%0.40641%0.412SS..Hα-helixtrans-60.6-40.2178.1-65.713000110.9P231 N232 E238 C239P231-N235 HydrophobicContact CB-CB 4.19Å; N232-N235 VanDerWaalsContact ND2-CG 3.29Å; N232-N235 PolarHBondContact ND2-ND2 2.85Å; N232-N235 PolarHBondContact ND2-OD1 3.45Å; N232-N235 PolarHBondContact O-N 3.26Å; N232-N235 PolarHBondContact OD1-N 3Å; N232-N235 PolarHBondContact OD1-OD1 2.95Å; N235-E238 PolarHBondContact O-N 2.95Å; N235-C239 PolarHBondContact O-N 3.23Å; N235-C239 PolarHBondContact O-SG 2.75Å; N235-C239 VanDerWaalsContact O-SG 3.39Å
236G94.9Very high92.4Very high3 Ų380.8 Ų80.83%0.03143%0.429CS..Hα-helixtrans-60.2-44.7175.600000112.1Y27 N232 L234 C239 Y240Y27-G236 WeakPolarHBondContact OH-CA 3.14Å; N232-G236 PolarHBondContact O-N 2.72Å; L234-G236 VanDerWaalsContact C-N 3.27Å; L234-G236 PolarHBondContact O-N 3.08Å; G236-C239 PolarHBondContact O-N 3.26Å; G236-Y240 WeakPolarHBondContact O-CB 3.38Å; G236-Y240 PolarHBondContact O-N 2.75Å
237F96.3Very high93.2Very high51 Ų5176.1 Ų76.122%0.22441%0.412CS..Hα-helixtrans-67.8-38.2175.9-178.1-125.1000112.8A19 Y27 Y233 L234 Y240 V241A19-F237 HydrophobicContact CB-CB 4.15Å; A19-F237 HydrophobicContact CB-CD1 3.93Å; A19-F237 HydrophobicContact CB-CD2 3.55Å; A19-F237 HydrophobicContact CB-CE1 4.17Å; A19-F237 HydrophobicContact CB-CE2 3.8Å; A19-F237 HydrophobicContact CB-CG 3.6Å; A19-F237 HydrophobicContact CB-CZ 4.11Å; Y27-F237 HydrophobicContact CD1-CB 3.99Å; Y27-F237 HydrophobicContact CD1-CD2 4.24Å; Y27-F237 HydrophobicContact CE1-CB 4.25Å; Y27-F237 HydrophobicContact CG-CD2 4.02Å; Y233-F237 VanDerWaalsContact O-CB 3.31Å; Y233-F237 WeakPolarHBondContact O-CB 3.23Å; Y233-F237 PolarHBondContact O-N 3.2Å; L234-F237 PolarHBondContact O-N 3.32Å; L234-F237 VanDerWaalsContact O-N 3.15Å; F237-Y240 HydrophobicContact CD2-CD1 4.15Å; F237-Y240 HydrophobicContact CE2-CD1 4.18Å; F237-Y240 WeakPolarHBondContact O-CB 3.41Å; F237-Y240 PolarHBondContact O-N 3.16Å; F237-V241 HydrophobicContact CD2-CG2 4.1Å; F237-V241 HydrophobicContact CE1-CG2 4.13Å; F237-V241 HydrophobicContact CE2-CG2 3.69Å; F237-V241 HydrophobicContact CZ-CG2 3.7Å; F237-V241 WeakPolarHBondContact O-CG2 3.13Å; F237-V241 PolarHBondContact O-N 3.31Å
238E96.1Very high93.7Very high124 Ų12477 Ų7758%0.57941%0.41SS*.Hα-helixtrans-60.8-44.4174.1-73.4179.2169.500111.8L234 N235 V241 C242L234-E238 WeakPolarHBondContact O-CG 3.49Å; L234-E238 PolarHBondContact O-N 2.74Å; N235-E238 PolarHBondContact O-N 2.95Å; E238-V241 PolarHBondContact O-N 3.31Å; E238-C242 WeakPolarHBondContact O-CB 3.34Å; E238-C242 PolarHBondContact O-N 3.05Å; E238-C242 PolarHBondContact O-SG 2.96Å
239C95.7Very high94.2Very high76 Ų7670.8 Ų70.851%0.51438%0.381SS..Hα-helixtrans-60.9-47.6173.4-73.40000111.2N235 G236 V241 C242 D243N235-C239 PolarHBondContact O-N 3.23Å; N235-C239 PolarHBondContact O-SG 2.75Å; N235-C239 VanDerWaalsContact O-SG 3.39Å; G236-C239 PolarHBondContact O-N 3.26Å; C239-V241 PolarHBondContact O-N 3.04Å; C239-C242 WeakPolarHBondContact O-CB 3.48Å; C239-C242 PolarHBondContact O-N 2.79Å; C239-C242 VanDerWaalsContact O-N 3.15Å; C239-D243 PolarHBondContact O-N 3.31Å
240Y96.2Very high94.5Very high46 Ų4668.5 Ų68.518%0.1837%0.368CS..Hα-helixtrans-54.8-49.5176.6175.5-95.3000111.8Y17 D26 Y27 G236 F237 C242 D243 Q244Y17-Y240 HydrophobicContact CD1-CE1 4.03Å; Y17-Y240 HydrophobicContact CG-CE1 4.34Å; D26-Y240 HydrophobicContact CB-CE1 3.82Å; Y27-Y240 HydrophobicContact CD2-CD1 4.32Å; Y27-Y240 AromaticContact CD2-CD2 3.82Å; Y27-Y240 HydrophobicContact CD2-CD2 3.82Å; Y27-Y240 AromaticContact CD2-CG 3.69Å; Y27-Y240 HydrophobicContact CD2-CG 3.69Å; Y27-Y240 HydrophobicContact CE2-CD2 4.39Å; Y27-Y240 HydrophobicContact CE2-CG 4.33Å; Y27-Y240 HydrophobicContact CG-CG 4.41Å; G236-Y240 WeakPolarHBondContact O-CB 3.38Å; G236-Y240 PolarHBondContact O-N 2.75Å; F237-Y240 HydrophobicContact CD2-CD1 4.15Å; F237-Y240 HydrophobicContact CE2-CD1 4.18Å; F237-Y240 WeakPolarHBondContact O-CB 3.41Å; F237-Y240 PolarHBondContact O-N 3.16Å; Y240-C242 VanDerWaalsContact C-N 3.35Å; Y240-C242 PolarHBondContact O-N 3.47Å; Y240-D243 PolarHBondContact O-N 2.54Å; Y240-Q244 HydrophobicContact CD1-CG 4.2Å; Y240-Q244 HydrophobicContact CE1-CG 3.77Å; Y240-Q244 HydrophobicContact CE2-CG 4.11Å; Y240-Q244 VanDerWaalsContact O-CG 3.3Å; Y240-Q244 WeakPolarHBondContact O-CG 3.4Å; Y240-Q244 PolarHBondContact O-N 2.79Å
241V96.6Very high94.7Very high44 Ų4467.1 Ų67.127%0.26737%0.37SS..Hα-helixtrans-62.2-42.6178.3172.30000111.2Y17 F237 E238 C239 D243 Q244 E245Y17-V241 HydrophobicContact CD2-CG1 4.34Å; Y17-V241 HydrophobicContact CD2-CG2 4.32Å; F237-V241 HydrophobicContact CD2-CG2 4.1Å; F237-V241 HydrophobicContact CE1-CG2 4.13Å; F237-V241 HydrophobicContact CE2-CG2 3.69Å; F237-V241 HydrophobicContact CZ-CG2 3.7Å; F237-V241 WeakPolarHBondContact O-CG2 3.13Å; F237-V241 PolarHBondContact O-N 3.31Å; E238-V241 PolarHBondContact O-N 3.31Å; C239-V241 PolarHBondContact O-N 3.04Å; V241-D243 VanDerWaalsContact C-N 3.33Å; V241-D243 PolarHBondContact O-N 2.72Å; V241-Q244 PolarHBondContact O-N 2.94Å; V241-E245 PolarHBondContact O-N 3.46Å
242C96.7Very high94.8Very high73 Ų7366.7 Ų66.749%0.49336%0.363SS..Hα-helixtrans-58.2-45.2176-72.70000111.9E238 C239 Y240 E245 N246E238-C242 WeakPolarHBondContact O-CB 3.34Å; E238-C242 PolarHBondContact O-N 3.05Å; E238-C242 PolarHBondContact O-SG 2.96Å; C239-C242 WeakPolarHBondContact O-CB 3.48Å; C239-C242 PolarHBondContact O-N 2.79Å; C239-C242 VanDerWaalsContact O-N 3.15Å; Y240-C242 VanDerWaalsContact C-N 3.35Å; Y240-C242 PolarHBondContact O-N 3.47Å; C242-E245 PolarHBondContact O-N 3.12Å; C242-N246 WeakPolarHBondContact O-CB 3.26Å; C242-N246 VanDerWaalsContact O-CG 3.25Å; C242-N246 PolarHBondContact O-N 3.2Å; C242-N246 PolarHBondContact O-ND2 3Å; C242-N246 VanDerWaalsContact O-ND2 3.12Å
243D96.3Very high94.9Very high102 Ų10271.2 Ų71.255%0.54538%0.375SS..Hα-helixtrans-65.2-43.3179.8-72.2-20.5000111.7C239 Y240 V241 N246 A247C239-D243 PolarHBondContact O-N 3.31Å; Y240-D243 PolarHBondContact O-N 2.54Å; V241-D243 VanDerWaalsContact C-N 3.33Å; V241-D243 PolarHBondContact O-N 2.72Å; D243-N246 PolarHBondContact O-N 3.16Å; D243-A247 WeakPolarHBondContact O-CB 3.48Å; D243-A247 PolarHBondContact O-N 2.87Å
244Q95.9Very high95Very high65 Ų6569.3 Ų69.330%0.30438%0.376SS..Hα-helixtrans-63.1-43176.2-64.7-54.9-49.600112Y17 Y240 V241 A247 R248Y17-Q244 HydrophobicContact CD1-CB 4.39Å; Y17-Q244 HydrophobicContact CD1-CG 4.15Å; Y17-Q244 HydrophobicContact CE1-CB 3.67Å; Y17-Q244 HydrophobicContact CE1-CG 3.71Å; Y17-Q244 HydrophobicContact CE2-CB 3.87Å; Y17-Q244 WeakPolarHBondContact OH-CB 3.04Å; Y240-Q244 HydrophobicContact CD1-CG 4.2Å; Y240-Q244 HydrophobicContact CE1-CG 3.77Å; Y240-Q244 HydrophobicContact CE2-CG 4.11Å; Y240-Q244 VanDerWaalsContact O-CG 3.3Å; Y240-Q244 WeakPolarHBondContact O-CG 3.4Å; Y240-Q244 PolarHBondContact O-N 2.79Å; V241-Q244 PolarHBondContact O-N 2.94Å; Q244-A247 PolarHBondContact O-N 3.08Å; Q244-R248 WeakPolarHBondContact O-CB 3.38Å; Q244-R248 PolarHBondContact O-N 3.06Å
245E94.9Very high95.1Very high50 Ų5068.3 Ų68.323%0.23437%0.366CS..Hα-helixtrans-69.6-38.1177.7-76.3-55.1123.800112.7Y17 V241 C242 A247 R248 L249Y17-E245 WeakPolarHBondContact CE2-OE1 3.38Å; V241-E245 PolarHBondContact O-N 3.46Å; C242-E245 PolarHBondContact O-N 3.12Å; E245-A247 VanDerWaalsContact C-N 3.35Å; E245-R248 PolarHBondContact O-N 2.81Å; E245-R248 IonicContact OE1-NE 2.67Å; E245-R248 IonicContact OE2-CZ 3.79Å; E245-R248 IonicContact OE2-NE 2.95Å; E245-R248 PolarHBondContact OE2-NE 3.48Å; E245-R248 IonicContact OE2-NH2 3.06Å; E245-R248 PolarHBondContact OE2-NH2 3.19Å; E245-L249 WeakPolarHBondContact O-CB 3.27Å; E245-L249 VanDerWaalsContact O-CG 3.3Å; E245-L249 WeakPolarHBondContact O-CG 3.35Å; E245-L249 PolarHBondContact O-N 2.75Å
246N96Very high95.1Very high97 Ų9773.2 Ų73.252%0.51938%0.379SS..Hα-helixtrans-61.5-44.1173.1-77.8-35.3000111.5C242 D243 L249 A250C242-N246 WeakPolarHBondContact O-CB 3.26Å; C242-N246 VanDerWaalsContact O-CG 3.25Å; C242-N246 PolarHBondContact O-N 3.2Å; C242-N246 PolarHBondContact O-ND2 3Å; C242-N246 VanDerWaalsContact O-ND2 3.12Å; D243-N246 PolarHBondContact O-N 3.16Å; N246-L249 PolarHBondContact O-N 3.2Å; N246-A250 WeakPolarHBondContact O-CB 3.34Å; N246-A250 PolarHBondContact O-N 3.5Å
247A94.7Very high95.1Very high57 Ų5781.9 Ų81.947%0.47142%0.416SS..Hα-helixtrans-61.9-44.2175.300000111.8D243 Q244 E245 L249 A250 A251D243-A247 WeakPolarHBondContact O-CB 3.48Å; D243-A247 PolarHBondContact O-N 2.87Å; Q244-A247 PolarHBondContact O-N 3.08Å; E245-A247 VanDerWaalsContact C-N 3.35Å; A247-L249 PolarHBondContact O-N 3.27Å; A247-A250 PolarHBondContact O-N 2.99Å; A247-A251 WeakPolarHBondContact O-CB 3.38Å; A247-A251 PolarHBondContact O-N 2.62Å
248R94.4Very high95Very high78 Ų7881 Ų8129%0.29442%0.418SS..Hα-helixtrans-60.3-46176.3-167.8-167.765.267.82.2111.8Q244 E245 A250 A251 E252 P265Q244-R248 WeakPolarHBondContact O-CB 3.38Å; Q244-R248 PolarHBondContact O-N 3.06Å; E245-R248 PolarHBondContact O-N 2.81Å; E245-R248 IonicContact OE1-NE 2.67Å; E245-R248 IonicContact OE2-CZ 3.79Å; E245-R248 IonicContact OE2-NE 2.95Å; E245-R248 PolarHBondContact OE2-NE 3.48Å; E245-R248 IonicContact OE2-NH2 3.06Å; E245-R248 PolarHBondContact OE2-NH2 3.19Å; R248-A250 VanDerWaalsContact C-N 3.35Å; R248-A250 PolarHBondContact O-N 3.2Å; R248-A251 PolarHBondContact O-N 2.97Å; R248-E252 IonicContact NH1-OE2 2.66Å; R248-E252 PolarHBondContact NH1-OE2 2.95Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 PolarHBondContact O-N 3.45Å; R248-P265 HydrophobicContact CG-CB 4.14Å
249L94.4Very high94.7Very high61 Ų6178.6 Ų78.632%0.31941%0.413SS..Hα-helixtrans-64.6-37.7177.5-72.1173.5000112.1E245 N246 A247 E252 R253E245-L249 WeakPolarHBondContact O-CB 3.27Å; E245-L249 VanDerWaalsContact O-CG 3.3Å; E245-L249 WeakPolarHBondContact O-CG 3.35Å; E245-L249 PolarHBondContact O-N 2.75Å; N246-L249 PolarHBondContact O-N 3.2Å; A247-L249 PolarHBondContact O-N 3.27Å; L249-E252 PolarHBondContact O-N 3.37Å; L249-R253 WeakPolarHBondContact O-CG 3.18Å; L249-R253 PolarHBondContact O-N 2.84Å
250A94.2Very high94.4Very high54 Ų5484.3 Ų84.345%0.44643%0.432SS..Hα-helixtrans-64.8-45.1175.200000111.5N246 A247 R248 E252 R253 A254N246-A250 WeakPolarHBondContact O-CB 3.34Å; N246-A250 PolarHBondContact O-N 3.5Å; A247-A250 PolarHBondContact O-N 2.99Å; R248-A250 VanDerWaalsContact C-N 3.35Å; R248-A250 PolarHBondContact O-N 3.2Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.12Å; A250-R253 PolarHBondContact O-N 3.48Å; A250-A254 PolarHBondContact O-N 2.97Å
251A93.4Very high94.1Very high41 Ų4191.1 Ų91.134%0.33946%0.463SS..Hα-helixtrans-61-41.3174.700000111.9A247 R248 R253 A254 Y255 P265A247-A251 WeakPolarHBondContact O-CB 3.38Å; A247-A251 PolarHBondContact O-N 2.62Å; R248-A251 PolarHBondContact O-N 2.97Å; A251-R253 PolarHBondContact O-N 3.41Å; A251-A254 PolarHBondContact O-N 3.44Å; A251-Y255 WeakPolarHBondContact O-CB 3.26Å; A251-Y255 PolarHBondContact O-N 3.01Å; A251-P265 HydrophobicContact CB-CB 4.23Å
252E94.1Very high93.6Very high49 Ų4991.5 Ų91.523%0.22947%0.465CS..Hα-helixtrans-62.6-42.8175.9-166.8175.3171.600112.1R248 L249 A250 Y255 R256 P265R248-E252 IonicContact NH1-OE2 2.66Å; R248-E252 PolarHBondContact NH1-OE2 2.95Å; R248-E252 WeakPolarHBondContact O-CB 3.49Å; R248-E252 PolarHBondContact O-N 3.45Å; L249-E252 PolarHBondContact O-N 3.37Å; A250-E252 VanDerWaalsContact C-N 3.33Å; A250-E252 PolarHBondContact O-N 3.12Å; E252-Y255 PolarHBondContact O-N 2.94Å; E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.43Å; E252-R256 PolarHBondContact O-N 3.39Å; E252-R256 IonicContact OE1-CZ 3.76Å; E252-R256 IonicContact OE1-NE 3.26Å; E252-R256 IonicContact OE1-NH2 2.88Å; E252-R256 PolarHBondContact OE1-NH2 2.79Å; E252-P265 HydrophobicContact CB-CG 4.08Å; E252-P265 HydrophobicContact CG-CG 4.45Å
253R94.4Very high93.1Very high161 Ų16195.6 Ų95.661%0.60848%0.477SS*.Hα-helixtrans-63.6-40.3174.4-71.1-179.5-136.2-163.95.6111.8L249 A250 A251 K257L249-R253 WeakPolarHBondContact O-CG 3.18Å; L249-R253 PolarHBondContact O-N 2.84Å; A250-R253 PolarHBondContact O-N 3.48Å; A251-R253 PolarHBondContact O-N 3.41Å; R253-K257 WeakPolarHBondContact O-CG 3.32Å; R253-K257 PolarHBondContact O-N 3.08Å
254A93.8Very high92.7Very high44 Ų4494.2 Ų94.236%0.36447%0.473SS..Hα-helixtrans-63.6-45.3176.400000111.3A250 A251 R256 K257 A258 T262A250-A254 PolarHBondContact O-N 2.97Å; A251-A254 PolarHBondContact O-N 3.44Å; A254-R256 PolarHBondContact O-N 3.18Å; A254-K257 PolarHBondContact O-N 2.86Å; A254-K257 VanDerWaalsContact O-N 3.16Å; A254-A258 PolarHBondContact O-N 3.24Å; A254-T262 PolarHBondContact O-OG1 3.23Å
255Y94.6Very high92.3Very high82 Ų8293.1 Ų93.132%0.32247%0.472SS..Hα-helixtrans-58.8-46.4175.5-176.7-109.9000113A251 E252 K257 A258 P259 T262 P264A251-Y255 WeakPolarHBondContact O-CB 3.26Å; A251-Y255 PolarHBondContact O-N 3.01Å; E252-Y255 PolarHBondContact O-N 2.94Å; Y255-K257 VanDerWaalsContact C-N 3.26Å; Y255-K257 PolarHBondContact O-N 3.25Å; Y255-A258 CarbonylContact O-C 3.48Å; Y255-A258 PolarHBondContact O-N 2.91Å; Y255-P259 HydrophobicContact CD2-CB 4.32Å; Y255-P259 HydrophobicContact CE2-CB 3.88Å; Y255-P259 VanDerWaalsContact O-CA 3.32Å; Y255-P259 WeakPolarHBondContact O-CA 3.43Å; Y255-P259 WeakPolarHBondContact O-CB 3.35Å; Y255-P259 VanDerWaalsContact O-CD 3.28Å; Y255-P259 WeakPolarHBondContact O-CD 3.47Å; Y255-P259 VanDerWaalsContact O-N 3.1Å; Y255-T262 VanDerWaalsContact CA-OG1 3.25Å; Y255-T262 WeakPolarHBondContact CA-OG1 3.36Å; Y255-T262 VanDerWaalsContact CD2-O 3.27Å; Y255-T262 WeakPolarHBondContact CD2-O 3.32Å; Y255-T262 WeakPolarHBondContact CE2-O 3.31Å; Y255-P264 HydrophobicContact CD1-CB 4.13Å; Y255-P264 HydrophobicContact CD2-CB 4.24Å; Y255-P264 HydrophobicContact CE1-CB 3.98Å; Y255-P264 HydrophobicContact CE2-CB 4.1Å; Y255-P264 HydrophobicContact CE2-CG 4.32Å; Y255-P264 HydrophobicContact CG-CB 4.25Å
256R93.4Very high91.9Very high180 Ų18098.7 Ų98.768%0.67950%0.498SS*.Hα-helixtrans-61.4-32.4176.6-70.7174.8-173.3-167.31.7113E252 A254E252-R256 VanDerWaalsContact O-CG 3.3Å; E252-R256 WeakPolarHBondContact O-CG 3.43Å; E252-R256 PolarHBondContact O-N 3.39Å; E252-R256 IonicContact OE1-CZ 3.76Å; E252-R256 IonicContact OE1-NE 3.26Å; E252-R256 IonicContact OE1-NH2 2.88Å; E252-R256 PolarHBondContact OE1-NH2 2.79Å; A254-R256 PolarHBondContact O-N 3.18Å
257K95.1Very high91.4Very high185 Ų185105.5 Ų105.580%0.80452%0.517SS*.Hα-helixtrans-77.3-37.3178.7-74.3179.2-178.8-176.50113.3R253 A254 Y255R253-K257 WeakPolarHBondContact O-CG 3.32Å; R253-K257 PolarHBondContact O-N 3.08Å; A254-K257 PolarHBondContact O-N 2.86Å; A254-K257 VanDerWaalsContact O-N 3.16Å; Y255-K257 VanDerWaalsContact C-N 3.26Å; Y255-K257 PolarHBondContact O-N 3.25Å
258A93.4Very high91.2Very high33 Ų33106.4 Ų106.427%0.27351%0.51SS..  trans-144.269.3-174.900000112.3A254 Y255 Q260 K261 T262A254-A258 PolarHBondContact O-N 3.24Å; Y255-A258 CarbonylContact O-C 3.48Å; Y255-A258 PolarHBondContact O-N 2.91Å; A258-Q260 PolarHBondContact O-N 3.28Å; A258-Q260 VanDerWaalsContact O-N 3.14Å; A258-K261 HydrophobicContact CB-CB 4.13Å; A258-K261 PolarHBondContact O-N 3Å; A258-T262 PolarHBondContact O-N 3.43Å; A258-T262 VanDerWaalsContact O-N 3.14Å; A258-T262 PolarHBondContact O-OG1 3.44Å
259P89.7Confident91.2Very high72 Ų72108.3 Ų108.347%0.46852%0.523SS..THydrogen-bonded Turntrans-66.4-19.7-17223.6-32.7000114Y255Y255-P259 HydrophobicContact CD2-CB 4.32Å; Y255-P259 HydrophobicContact CE2-CB 3.88Å; Y255-P259 VanDerWaalsContact O-CA 3.32Å; Y255-P259 WeakPolarHBondContact O-CA 3.43Å; Y255-P259 WeakPolarHBondContact O-CB 3.35Å; Y255-P259 VanDerWaalsContact O-CD 3.28Å; Y255-P259 WeakPolarHBondContact O-CD 3.47Å; Y255-P259 VanDerWaalsContact O-N 3.1Å
260Q90.8Very high91.3Very high197 Ų197105.5 Ų105.592%0.92151%0.509SS*.THydrogen-bonded Turntrans-84.2-10.9173.5-65.6-168.5-0.600113.9A258A258-Q260 PolarHBondContact O-N 3.28Å; A258-Q260 VanDerWaalsContact O-N 3.14Å
261K88.4Confident91.3Very high189 Ų189105.3 Ų105.382%0.82250%0.504SS*.THydrogen-bonded Turntrans-114.9-9.8-176.6-63.6-174.6177.6-178.10113.5A258A258-K261 HydrophobicContact CB-CB 4.13Å; A258-K261 PolarHBondContact O-N 3Å
262T86.9Confident91.3Very high51 Ų51106.5 Ų106.531%0.31351%0.505SS..SBendtrans-136.3149.5-173.652.10000109.5A254 Y255 A258A254-T262 PolarHBondContact O-OG1 3.23Å; Y255-T262 VanDerWaalsContact CA-OG1 3.25Å; Y255-T262 WeakPolarHBondContact CA-OG1 3.36Å; Y255-T262 VanDerWaalsContact CD2-O 3.27Å; Y255-T262 WeakPolarHBondContact CD2-O 3.32Å; Y255-T262 WeakPolarHBondContact CE2-O 3.31Å; A258-T262 PolarHBondContact O-N 3.43Å; A258-T262 VanDerWaalsContact O-N 3.14Å; A258-T262 PolarHBondContact O-OG1 3.44Å
263Q86.4Confident91.4Very high160 Ų160106.1 Ų106.175%0.74851%0.508SS*.PPolyproline II helixtrans-87.9147.5177.1-67.5-173.9-2.700110.4
264P86.8Confident91.4Very high72 Ų7299 Ų9947%0.46848%0.482SS..PPolyproline II helixtrans-63.4144.317227.6-33.4000109.7Y255 Q266Y255-P264 HydrophobicContact CD1-CB 4.13Å; Y255-P264 HydrophobicContact CD2-CB 4.24Å; Y255-P264 HydrophobicContact CE1-CB 3.98Å; Y255-P264 HydrophobicContact CE2-CB 4.1Å; Y255-P264 HydrophobicContact CE2-CG 4.32Å; Y255-P264 HydrophobicContact CG-CB 4.25Å; P264-Q266 PolarHBondContact O-N 2.98Å
265P88.1Confident91.4Very high42 Ų4298.1 Ų98.127%0.27347%0.47SS..PPolyproline II helixtrans-59.4131.7175.225.5-33.2000109.5R248 A251 E252R248-P265 HydrophobicContact CG-CB 4.14Å; A251-P265 HydrophobicContact CB-CB 4.23Å; E252-P265 HydrophobicContact CB-CG 4.08Å; E252-P265 HydrophobicContact CG-CG 4.45Å
266Q86.4Confident91.3Very high167 Ų16795 Ų9578%0.7846%0.463SS*.PPolyproline II helixtrans-71.2143.1177.1-67.4-168.8-6.900110.3P264 K268P264-Q266 PolarHBondContact O-N 2.98Å; Q266-K268 PolarHBondContact O-N 3.44Å
267R86Confident91.4Very high241 Ų24186.4 Ų86.491%0.90943%0.431SS*.PPolyproline II helixtrans-69.7123.9170.6-67.5-176.5-179-172.9-0.4108.3
268K91.3Very high91.4Very high75 Ų7580.6 Ų80.633%0.32641%0.412SS..PPolyproline II helixtrans-98.3128.2176176.857.8174.9167.10108.9N16 Y17 D26 Q266N16-K268 WeakPolarHBondContact CB-O 3.49Å; N16-K268 VanDerWaalsContact CG-O 3.26Å; N16-K268 WeakPolarHBondContact O-CG 2.97Å; Y17-K268 HydrophobicContact CD1-CG 4.17Å; Y17-K268 HydrophobicContact CE1-CB 4.47Å; Y17-K268 HydrophobicContact CE1-CG 3.68Å; D26-K268 WeakPolarHBondContact OD1-CE 3.32Å; D26-K268 IonicContact OD1-NZ 2.6Å; D26-K268 PolarHBondContact OD1-NZ 3.47Å; Q266-K268 PolarHBondContact O-N 3.44Å
269M93.9Very high91.6Very high118 Ų11882.5 Ų82.558%0.58142%0.417SS*.  trans-133.3149.1171.7-68.7-179.6-65.100107.9
270A95.7Very high91.8Very high3 Ų379.7 Ų79.73%0.02540%0.398CS..  trans-64.7151175.100000111.6I12 R13 F15 T18I12-A270 HydrophobicContact CG1-CB 3.95Å; I12-A270 WeakPolarHBondContact O-CB 3.45Å; R13-A270 VanDerWaalsContact CG-O 3.23Å; R13-A270 WeakPolarHBondContact CG-O 3.36Å; F15-A270 WeakPolarHBondContact O-CB 3.27Å; F15-A270 PolarHBondContact O-N 2.94Å; T18-A270 HydrophobicContact CG2-CB 3.48Å; T18-A270 VanDerWaalsContact CG2-CB 3.48Å
271S94.1Very high92Very high49 Ų4973 Ų7334%0.34337%0.374SS..  trans-94.7155.9176161.30000110.6I12 S273 H274I12-S271 WeakPolarHBondContact CG2-O 3.24Å; S271-S273 WeakPolarHBondContact CB-OG 3.39Å; S271-S273 PolarHBondContact O-N 2.98Å; S271-S273 PolarHBondContact OG-N 3.17Å; S271-S273 PolarHBondContact OG-OG 2.82Å; S271-H274 VanDerWaalsContact O-CB 3.31Å; S271-H274 WeakPolarHBondContact O-CB 3.39Å; S271-H274 PolarHBondContact O-N 2.88Å
272N93.9Very high92.3Very high66 Ų6664.6 Ų64.635%0.35334%0.339SS..G310 helixtrans-58.4-27.1170.5-163.367.3000112.3S7 G9 H274 M275 G276S7-N272 PolarHBondContact O-OD1 2.71Å; G9-N272 WeakPolarHBondContact CA-OD1 3.23Å; G9-N272 PolarHBondContact N-OD1 3.49Å; N272-H274 PolarHBondContact O-N 3.19Å; N272-M275 PolarHBondContact O-N 3.39Å; N272-G276 WeakPolarHBondContact O-CA 3.43Å; N272-G276 PolarHBondContact O-N 2.92Å; N272-G276 VanDerWaalsContact O-N 3.09Å
273S95.3Very high92.7Very high42 Ų4262.3 Ų62.329%0.29433%0.325SS..G310 helixtrans-64.5-17.4174.660.50000113.5R22 S271 M275R22-S273 PolarHBondContact NE-O 2.66Å; R22-S273 PolarHBondContact NH2-O 3.1Å; S271-S273 WeakPolarHBondContact CB-OG 3.39Å; S271-S273 PolarHBondContact O-N 2.98Å; S271-S273 PolarHBondContact OG-N 3.17Å; S271-S273 PolarHBondContact OG-OG 2.82Å; S273-M275 PolarHBondContact O-N 2.9Å
274H96.1Very high93.2Very high12 Ų1259.1 Ų59.16%0.05631%0.307CS..G310 helixtrans-76.3-8.5179.9-59.4-167.4000112.7I12 T18 T20 R22 E24 D26 S271 N272I12-H274 HydrophobicContact CG1-CB 4.31Å; T18-H274 HydrophobicContact CG2-CB 4.41Å; T18-H274 PolarHBondContact OG1-ND1 3.28Å; T20-H274 WeakPolarHBondContact CB-O 3.46Å; T20-H274 WeakPolarHBondContact CG2-O 3.29Å; T20-H274 PolarHBondContact OG1-O 3.45Å; R22-H274 WeakPolarHBondContact CB-O 3.35Å; R22-H274 WeakPolarHBondContact CG-O 3.29Å; E24-H274 PolarHBondContact O-CD2 2.8Å; E24-H274 PolarHBondContact O-NE2 2.77Å; D26-H274 IonicContact OD1-CE1 3Å; D26-H274 PolarHBondContact OD1-CE1 3.06Å; D26-H274 IonicContact OD2-CE1 4Å; D26-H274 PolarHBondContact OD2-CE1 3.42Å; D26-H274 IonicContact OD2-ND1 3.67Å; D26-H274 PolarHBondContact OD2-ND1 3.12Å; S271-H274 VanDerWaalsContact O-CB 3.31Å; S271-H274 WeakPolarHBondContact O-CB 3.39Å; S271-H274 PolarHBondContact O-N 2.88Å; N272-H274 PolarHBondContact O-N 3.19Å
275M93.3Very high93.5Very high24 Ų2458.1 Ų58.112%0.11831%0.309CS..SBendtrans-144.2-73.7171.4-77.8-63.5-74.600109.6L6 I12 T20 F21 R22 N272 S273 C277L6-M275 HydrophobicContact CB-CG 4.4Å; L6-M275 WeakPolarHBondContact O-CB 3.41Å; I12-M275 HydrophobicContact CD1-CB 4.37Å; I12-M275 HydrophobicContact CD1-CG 3.61Å; I12-M275 HydrophobicContact CG1-CG 4.29Å; T20-M275 WeakPolarHBondContact CB-SD 3.4Å; T20-M275 HydrophobicContact CG2-CG 3.89Å; T20-M275 HydrophobicContact CG2-SD 3.38Å; T20-M275 WeakPolarHBondContact CG2-SD 3.32Å; F21-M275 HydrophobicContact CE1-CE 3.67Å; F21-M275 HydrophobicContact CE1-SD 3.99Å; F21-M275 HydrophobicContact CZ-CE 4.06Å; F21-M275 HydrophobicContact CZ-SD 4.25Å; R22-M275 WeakPolarHBondContact CD-O 3.33Å; R22-M275 WeakPolarHBondContact CG-O 3.37Å; R22-M275 PolarHBondContact NH1-O 3.14Å; N272-M275 PolarHBondContact O-N 3.39Å; S273-M275 PolarHBondContact O-N 2.9Å; M275-C277 PolarHBondContact O-N 3.16Å
276G92.8Very high93.7Very high16 Ų1659.6 Ų59.617%0.16531%0.314CS..  trans54.441.6160.500000116.2N272N272-G276 WeakPolarHBondContact O-CA 3.43Å; N272-G276 PolarHBondContact O-N 2.92Å; N272-G276 VanDerWaalsContact O-N 3.09Å
277C95.2Very high94Very high1 Ų155 Ų551%0.00730%0.295CS..PPolyproline II helixtrans-69.3139174.9-76.60000112.6M1 Y4 S7 C135 M275 Y304M1-C277 WeakPolarHBondContact CE-SG 3.32Å; M1-C277 HydrophobicContact SD-CB 4.03Å; M1-C277 PolarHBondContact SD-SG 3.31Å; Y4-C277 HydrophobicContact CD1-CB 4.2Å; Y4-C277 HydrophobicContact CE1-CB 3.97Å; S7-C277 WeakPolarHBondContact OG-CB 3.47Å; C135-C277 HydrophobicContact CB-CB 4.16Å; C135-C277 WeakPolarHBondContact CB-SG 3.46Å; C135-C277 WeakPolarHBondContact SG-CB 3.42Å; C135-C277 CovalentContact SG-SG 2.03Å; C135-C277 PolarHBondContact SG-SG 3.32Å; M275-C277 PolarHBondContact O-N 3.16Å; C277-Y304 WeakPolarHBondContact O-CE2 3.36Å; C277-Y304 PolarHBondContact O-OH 3.24Å; C277-Y304 VanDerWaalsContact O-OH 3.1Å
278P95.9Very high94.4Very high62 Ų6251.9 Ų51.940%0.40329%0.288SS..PPolyproline II helixtrans-71.6165.2178.532.3-35.6000111.6V134 Y304V134-P278 WeakPolarHBondContact O-CD 3.46Å; V134-P278 WeakPolarHBondContact O-CG 3.42Å; P278-Y304 WeakPolarHBondContact O-CE2 3.47Å
279L96.1Very high94.5Very high74 Ų7454.5 Ų54.539%0.38731%0.305SS..PPolyproline II helixtrans-53131.8165.9177.971.2000109.2P301 Y304L279-P301 HydrophobicContact CD1-CB 4.41Å; L279-Y304 HydrophobicContact CB-CD1 4.17Å; L279-Y304 HydrophobicContact CB-CE1 4Å; L279-Y304 HydrophobicContact CB-CG 4.49Å; L279-Y304 HydrophobicContact CD1-CD1 3.42Å; L279-Y304 VanDerWaalsContact CD1-CD1 3.42Å; L279-Y304 HydrophobicContact CD1-CD2 4.39Å; L279-Y304 HydrophobicContact CD1-CE1 4.1Å; L279-Y304 HydrophobicContact CD1-CG 3.58Å; L279-Y304 HydrophobicContact CG-CD1 4.4Å
280P95.3Very high94.5Very high12 Ų1250 Ų508%0.07828%0.283CS..PPolyproline II helixtrans-56.1145.9176.5-28.338.2000112.5Y4 P72 W296 W300Y4-P280 HydrophobicContact CE1-CG 4.47Å; Y4-P280 HydrophobicContact CE2-CG 4.04Å; Y4-P280 WeakPolarHBondContact OH-CG 3.49Å; P72-P280 HydrophobicContact CB-CB 4.13Å; P72-P280 HydrophobicContact CB-CG 3.92Å; P280-W296 HydrophobicContact CB-CH2 3.98Å; P280-W296 HydrophobicContact CB-CZ2 3.53Å; P280-W300 HydrophobicContact CB-CB 4.21Å; P280-W300 HydrophobicContact CG-CB 4.28Å
281S94.3Very high94.4Very high57 Ų5753.2 Ų53.240%0.39930%0.304SS..  trans-123.4151175.162.10000110.3W296S281-W296 WeakPolarHBondContact O-CZ2 3.47Å
282P95.5Very high94.3Very high13 Ų1354.8 Ų54.88%0.08432%0.32CS..  trans-53.9147.8174.9-24.733.9000112.3Y284 I287 L290 W296P282-Y284 PolarHBondContact O-N 3.47Å; P282-I287 HydrophobicContact CG-CB 3.9Å; P282-I287 HydrophobicContact CG-CG1 4.09Å; P282-L290 HydrophobicContact CB-CD1 4.14Å; P282-L290 HydrophobicContact CG-CD1 3.71Å; P282-W296 HydrophobicContact CG-CH2 4.31Å; P282-W296 HydrophobicContact CG-CZ3 3.96Å
283G94.9Very high94.3Very high2 Ų258.2 Ų58.22%0.02134%0.338CS..SBendtrans-73.4-26.7-177.200000110D74 Y78 R156D74-G283 VanDerWaalsContact CB-N 3.25Å; D74-G283 PolarHBondContact OD2-N 2.71Å; Y78-G283 VanDerWaalsContact CD2-O 3.27Å; Y78-G283 WeakPolarHBondContact CD2-O 3.36Å; R156-G283 PolarHBondContact NH1-O 2.88Å
284Y95.9Very high94.3Very high94 Ų9457.3 Ų57.337%0.36933%0.33SS..SBendtrans-156.1141.7175.3178.8-111.7000110.1Y78 E81 P180 P282Y78-Y284 HydrophobicContact CD2-CD2 4.41Å; E81-Y284 HydrophobicContact CB-CD1 4.09Å; E81-Y284 HydrophobicContact CB-CE1 4.26Å; E81-Y284 HydrophobicContact CG-CD1 3.93Å; E81-Y284 HydrophobicContact CG-CE1 3.59Å; P180-Y284 HydrophobicContact CG-CD2 3.69Å; P180-Y284 HydrophobicContact CG-CE2 3.6Å; P180-Y284 HydrophobicContact CG-CG 4.36Å; P282-Y284 PolarHBondContact O-N 3.47Å
285G93.7Very high94.2Very high50 Ų5058.9 Ų58.952%0.51535%0.349SS..SBendtrans87.1176.2-177.200000114
286D93.2Very high94.3Very high73 Ų7358.3 Ų58.339%0.3935%0.346SS..  trans-85.7144.1172.5-166.9-51.9000109.6K288 D289D286-K288 PolarHBondContact O-N 3.27Å; D286-K288 WeakPolarHBondContact OD1-CB 3.44Å; D286-K288 VanDerWaalsContact OD1-CG 3.3Å; D286-K288 WeakPolarHBondContact OD1-CG 3.36Å; D286-K288 PolarHBondContact OD1-N 3.47Å; D286-D289 WeakPolarHBondContact CB-OD2 3.26Å; D286-D289 PolarHBondContact O-N 2.94Å
287I92.9Very high94.4Very high71 Ų7159.6 Ų59.636%0.36435%0.349SS..G310 helixtrans-58.2-28.7176-162.6170.6000112.4P282 D289 L290 L297P282-I287 HydrophobicContact CG-CB 3.9Å; P282-I287 HydrophobicContact CG-CG1 4.09Å; I287-D289 VanDerWaalsContact C-N 3.25Å; I287-D289 PolarHBondContact O-N 3.2Å; I287-L290 PolarHBondContact O-N 3.34Å; I287-L297 HydrophobicContact CD1-CD1 3.8Å; I287-L297 HydrophobicContact CG1-CD1 3.66Å
288K92.9Very high94.3Very high175 Ų17564.4 Ų64.476%0.76137%0.371SS*.G310 helixtrans-69.9-22.7178.4-63.7168.8-170.3165.20113.2D286 L290D286-K288 PolarHBondContact O-N 3.27Å; D286-K288 WeakPolarHBondContact OD1-CB 3.44Å; D286-K288 VanDerWaalsContact OD1-CG 3.3Å; D286-K288 WeakPolarHBondContact OD1-CG 3.36Å; D286-K288 PolarHBondContact OD1-N 3.47Å; K288-L290 VanDerWaalsContact C-N 3.33Å
289D94.1Very high94.2Very high130 Ų13065.9 Ų65.970%0.69538%0.375SS*.G310 helixtrans-88.5-7.6-179-58.6-33.6000111.8D286 I287D286-D289 WeakPolarHBondContact CB-OD2 3.26Å; D286-D289 PolarHBondContact O-N 2.94Å; I287-D289 VanDerWaalsContact C-N 3.25Å; I287-D289 PolarHBondContact O-N 3.2Å
290L93.4Very high94.2Very high24 Ų2463.6 Ų63.613%0.12636%0.361CS..SBendtrans-75.7137178-64.4-176.6000111P282 I287 K288 D294 W296 L297P282-L290 HydrophobicContact CB-CD1 4.14Å; P282-L290 HydrophobicContact CG-CD1 3.71Å; I287-L290 PolarHBondContact O-N 3.34Å; K288-L290 VanDerWaalsContact C-N 3.33Å; L290-D294 HydrophobicContact CB-CB 4.38Å; L290-W296 HydrophobicContact CD1-CE3 4.37Å; L290-L297 HydrophobicContact CB-CD2 4.17Å; L290-L297 HydrophobicContact CD1-CB 4.45Å
291P94.1Very high94.2Very high71 Ų7164 Ų6446%0.46136%0.364SS..  trans-54.3144.9171-24.834000111.5D293 D294P291-D293 WeakPolarHBondContact CB-OD1 3.3Å; P291-D293 PolarHBondContact O-N 3.37Å; P291-D293 VanDerWaalsContact O-N 3.16Å; P291-D294 WeakPolarHBondContact O-CB 3.38Å; P291-D294 PolarHBondContact O-N 2.84Å
292A91.8Very high94.1Very high82 Ų8267.4 Ų67.468%0.67837%0.373SS*.THydrogen-bonded Turntrans-60.8-26.8179.500000112.5Q298A292-Q298 PolarHBondContact O-NE2 2.96Å
293D93.4Very high94.1Very high137 Ų13768.7 Ų68.773%0.73338%0.379SS*.THydrogen-bonded Turntrans-92.99.4177.262.9-25.2000113.9P291 G295P291-D293 WeakPolarHBondContact CB-OD1 3.3Å; P291-D293 PolarHBondContact O-N 3.37Å; P291-D293 VanDerWaalsContact O-N 3.16Å; D293-G295 PolarHBondContact O-N 3.42Å
294D95.7Very high94.2Very high24 Ų2469.8 Ų69.813%0.12838%0.383CS..  trans-61.2123.5176.2-174.2-70.4000110.8R77 L290 P291 W296 L297 Q298R77-D294 IonicContact CZ-OD1 2.96Å; R77-D294 IonicContact CZ-OD2 3.83Å; R77-D294 VanDerWaalsContact CZ-OD2 3.26Å; R77-D294 IonicContact NH1-OD2 3.34Å; R77-D294 PolarHBondContact NH1-OD2 3.07Å; R77-D294 VanDerWaalsContact NH2-CG 3.28Å; R77-D294 IonicContact NH2-OD1 3.47Å; R77-D294 PolarHBondContact NH2-OD1 3.43Å; R77-D294 IonicContact NH2-OD2 3.62Å; R77-D294 PolarHBondContact NH2-OD2 2.9Å; L290-D294 HydrophobicContact CB-CB 4.38Å; P291-D294 WeakPolarHBondContact O-CB 3.38Å; P291-D294 PolarHBondContact O-N 2.84Å; D294-W296 VanDerWaalsContact C-N 3.31Å; D294-W296 PolarHBondContact O-N 3.41Å; D294-W296 WeakPolarHBondContact OD1-CB 3.29Å; D294-W296 PolarHBondContact OD1-N 3.15Å; D294-L297 HydrophobicContact CB-CB 4.03Å; D294-L297 WeakPolarHBondContact O-CB 3.3Å; D294-L297 PolarHBondContact O-N 3.12Å; D294-L297 VanDerWaalsContact O-N 3.11Å; D294-L297 PolarHBondContact OD1-N 2.84Å; D294-Q298 WeakPolarHBondContact O-CG 3.29Å; D294-Q298 PolarHBondContact O-N 3.48Å
295G93.3Very high94.2Very high44 Ų4471.7 Ų71.745%0.45439%0.39SS..Hα-helixtrans-61.3-35.3-173.500000113.8D293 I299D293-G295 PolarHBondContact O-N 3.42Å; G295-I299 WeakPolarHBondContact O-CD1 3.5Å; G295-I299 VanDerWaalsContact O-CG1 3.26Å; G295-I299 WeakPolarHBondContact O-CG1 3.46Å; G295-I299 PolarHBondContact O-N 2.88Å
296W95.5Very high94.3Very high13 Ų1372.7 Ų72.75%0.04938%0.381CS..Hα-helixtrans-67.1-43.3176.5-178.298.6000110.5V71 P72 D74 P280 S281 P282 L290 D294 Q298 I299 W300 P301V71-W296 PolarHBondContact O-NE1 3.38Å; P72-W296 VanDerWaalsContact O-CZ2 3.32Å; P72-W296 WeakPolarHBondContact O-CZ2 3.47Å; P72-W296 PolarHBondContact O-NE1 3.31Å; D74-W296 HydrophobicContact CB-CD2 4.28Å; D74-W296 HydrophobicContact CB-CG 4.17Å; D74-W296 HydrophobicContact CB-CZ2 4.46Å; P280-W296 HydrophobicContact CB-CH2 3.98Å; P280-W296 HydrophobicContact CB-CZ2 3.53Å; S281-W296 WeakPolarHBondContact O-CZ2 3.47Å; P282-W296 HydrophobicContact CG-CH2 4.31Å; P282-W296 HydrophobicContact CG-CZ3 3.96Å; L290-W296 HydrophobicContact CD1-CE3 4.37Å; D294-W296 VanDerWaalsContact C-N 3.31Å; D294-W296 PolarHBondContact O-N 3.41Å; D294-W296 WeakPolarHBondContact OD1-CB 3.29Å; D294-W296 PolarHBondContact OD1-N 3.15Å; W296-Q298 VanDerWaalsContact C-N 3.32Å; W296-Q298 PolarHBondContact O-N 3.23Å; W296-I299 PolarHBondContact O-N 3.06Å; W296-W300 AromaticContact CD1-CD1 3.14Å; W296-W300 AromaticContact CD1-NE1 3.64Å; W296-W300 HydrophobicContact CD2-CB 4.45Å; W296-W300 AromaticContact CE2-CD1 3.77Å; W296-W300 AromaticContact CG-CD1 3.62Å; W296-W300 HydrophobicContact CZ2-CB 4.15Å; W296-W300 AromaticContact NE1-CD1 3.15Å; W296-W300 AromaticContact NE1-CG 3.78Å; W296-W300 AromaticContact NE1-NE1 3.82Å; W296-W300 PolarHBondContact O-N 3.05Å; W296-P301 HydrophobicContact CZ3-CG 4.22Å
297L95.2Very high94.4Very high42 Ų4269.2 Ų69.222%0.2236%0.363CS..Hα-helixtrans-64.7-35.1-180-17764.5000112.3I287 L290 D294 P301I287-L297 HydrophobicContact CD1-CD1 3.8Å; I287-L297 HydrophobicContact CG1-CD1 3.66Å; L290-L297 HydrophobicContact CB-CD2 4.17Å; L290-L297 HydrophobicContact CD1-CB 4.45Å; D294-L297 HydrophobicContact CB-CB 4.03Å; D294-L297 WeakPolarHBondContact O-CB 3.3Å; D294-L297 PolarHBondContact O-N 3.12Å; D294-L297 VanDerWaalsContact O-N 3.11Å; D294-L297 PolarHBondContact OD1-N 2.84Å; L297-P301 HydrophobicContact CD1-CG 4.33Å; L297-P301 WeakPolarHBondContact O-CD 3.45Å
298Q93.6Very high94.6Very high102 Ų10267.4 Ų67.448%0.47735%0.354SS..Hα-helixtrans-73.2-27.5177.8-71.4-62-44.200113.3A292 D294 W296 Q302A292-Q298 PolarHBondContact O-NE2 2.96Å; D294-Q298 WeakPolarHBondContact O-CG 3.29Å; D294-Q298 PolarHBondContact O-N 3.48Å; W296-Q298 VanDerWaalsContact C-N 3.32Å; W296-Q298 PolarHBondContact O-N 3.23Å; Q298-Q302 PolarHBondContact O-OE1 3.41Å
299I93.8Very high94.7Very high93 Ų9362.1 Ų62.148%0.47733%0.333SS..Hα-helixtrans-96.8-61.1-173.2-65.1168.8000111.1G295 W296 Q302 D303G295-I299 WeakPolarHBondContact O-CD1 3.5Å; G295-I299 VanDerWaalsContact O-CG1 3.26Å; G295-I299 WeakPolarHBondContact O-CG1 3.46Å; G295-I299 PolarHBondContact O-N 2.88Å; W296-I299 PolarHBondContact O-N 3.06Å; I299-Q302 PolarHBondContact O-N 3.14Å; I299-D303 WeakPolarHBondContact O-CB 3.27Å; I299-D303 PolarHBondContact O-N 2.98Å
300W95.3Very high94.8Very high26 Ų2657.9 Ų57.910%0.09831%0.31CS..Hα-helixtrans-74.5-42.5-158.9-69.7109.7000115.2Y4 D70 P72 P280 W296 Q302 D303 Y304Y4-W300 HydrophobicContact CE2-CE3 4.46Å; D70-W300 WeakPolarHBondContact O-CZ2 3.44Å; D70-W300 PolarHBondContact O-NE1 3.22Å; P72-W300 HydrophobicContact CB-CD2 4.06Å; P72-W300 HydrophobicContact CB-CE3 4.09Å; P72-W300 HydrophobicContact CB-CG 4.48Å; P72-W300 VanDerWaalsContact CD-CZ2 3.47Å; P72-W300 HydrophobicContact CG-CD2 3.87Å; P72-W300 HydrophobicContact CG-CE3 3.59Å; P72-W300 HydrophobicContact CG-CH2 3.77Å; P72-W300 HydrophobicContact CG-CZ2 4.03Å; P72-W300 HydrophobicContact CG-CZ3 3.55Å; P280-W300 HydrophobicContact CB-CB 4.21Å; P280-W300 HydrophobicContact CG-CB 4.28Å; W296-W300 AromaticContact CD1-CD1 3.14Å; W296-W300 AromaticContact CD1-NE1 3.64Å; W296-W300 HydrophobicContact CD2-CB 4.45Å; W296-W300 AromaticContact CE2-CD1 3.77Å; W296-W300 AromaticContact CG-CD1 3.62Å; W296-W300 HydrophobicContact CZ2-CB 4.15Å; W296-W300 AromaticContact NE1-CD1 3.15Å; W296-W300 AromaticContact NE1-CG 3.78Å; W296-W300 AromaticContact NE1-NE1 3.82Å; W296-W300 PolarHBondContact O-N 3.05Å; W300-Q302 VanDerWaalsContact C-N 3.29Å; W300-Q302 PolarHBondContact O-N 3.08Å; W300-D303 HydrophobicContact CE3-CB 4.46Å; W300-D303 PolarHBondContact O-N 3.35Å; W300-Y304 WeakPolarHBondContact O-CB 3.49Å; W300-Y304 PolarHBondContact O-N 2.93Å
301P94.9Very high95Very high22 Ų2256.8 Ų56.814%0.14330%0.304CS..Hα-helixtrans-61.1-39.1171.9-24.635.2000112.6L279 W296 L297 W305L279-P301 HydrophobicContact CD1-CB 4.41Å; W296-P301 HydrophobicContact CZ3-CG 4.22Å; L297-P301 HydrophobicContact CD1-CG 4.33Å; L297-P301 WeakPolarHBondContact O-CD 3.45Å; P301-W305 PolarHBondContact O-N 2.63Å
302Q93.9Very high95.1Very high127 Ų12754.8 Ų54.859%0.59329%0.288SS*.Hα-helixtrans-67.3-47.1178.5-175.1175.17.800111.3Q298 I299 W300 Y304 W305 Q306Q298-Q302 PolarHBondContact O-OE1 3.41Å; I299-Q302 PolarHBondContact O-N 3.14Å; W300-Q302 VanDerWaalsContact C-N 3.29Å; W300-Q302 PolarHBondContact O-N 3.08Å; Q302-Y304 VanDerWaalsContact C-N 3.29Å; Q302-Y304 PolarHBondContact O-N 3.03Å; Q302-W305 PolarHBondContact O-N 2.82Å; Q302-Q306 VanDerWaalsContact O-CB 3.26Å; Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.31Å
303D95.2Very high95.3Very high40 Ų4050.9 Ų50.921%0.21426%0.256CS..Hα-helixtrans-59.6-38.7177.6-175.369.1000112.1I299 W300 S307I299-D303 WeakPolarHBondContact O-CB 3.27Å; I299-D303 PolarHBondContact O-N 2.98Å; W300-D303 HydrophobicContact CE3-CB 4.46Å; W300-D303 PolarHBondContact O-N 3.35Å; D303-S307 VanDerWaalsContact O-CB 3.29Å; D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 3.36Å; D303-S307 PolarHBondContact O-OG 3.04Å
304Y96.4Very high95.4Very high25 Ų2547.2 Ų47.210%0.09824%0.236CC..Hα-helixtrans-59.6-48.7175.5-175.5-93.5000112.4Y4 H8 C277 P278 L279 W300 Q302 S307 L308Y4-Y304 AromaticContact CD1-CD2 3.41Å; Y4-Y304 HydrophobicContact CD1-CD2 3.41Å; Y4-Y304 VanDerWaalsContact CD1-CD2 3.41Å; Y4-Y304 AromaticContact CD1-CE2 3.58Å; Y4-Y304 HydrophobicContact CD1-CE2 3.58Å; Y4-Y304 AromaticContact CD2-CD2 3.98Å; Y4-Y304 HydrophobicContact CD2-CD2 3.98Å; Y4-Y304 AromaticContact CE1-CD2 3.85Å; Y4-Y304 HydrophobicContact CE1-CD2 3.85Å; Y4-Y304 HydrophobicContact CE1-CE2 4.09Å; Y4-Y304 HydrophobicContact CE2-CD2 4.39Å; Y4-Y304 AromaticContact CG-CD2 3.48Å; Y4-Y304 HydrophobicContact CG-CD2 3.48Å; Y4-Y304 VanDerWaalsContact CG-CD2 3.48Å; Y4-Y304 HydrophobicContact CG-CE2 4.05Å; Y4-Y304 HydrophobicContact CG-CG 4.43Å; H8-Y304 AromaticContact CE1-CD1 3.9Å; H8-Y304 AromaticContact CE1-CE1 3.41Å; H8-Y304 VanDerWaalsContact CE1-CE1 3.41Å; H8-Y304 WeakPolarHBondContact CE1-CE1 3.36Å; H8-Y304 AromaticContact CE1-CZ 3.48Å; H8-Y304 VanDerWaalsContact CE1-CZ 3.48Å; H8-Y304 PolarHBondContact NE2-O 3.24Å; C277-Y304 WeakPolarHBondContact O-CE2 3.36Å; C277-Y304 PolarHBondContact O-OH 3.24Å; C277-Y304 VanDerWaalsContact O-OH 3.1Å; P278-Y304 WeakPolarHBondContact O-CE2 3.47Å; L279-Y304 HydrophobicContact CB-CD1 4.17Å; L279-Y304 HydrophobicContact CB-CE1 4Å; L279-Y304 HydrophobicContact CB-CG 4.49Å; L279-Y304 HydrophobicContact CD1-CD1 3.42Å; L279-Y304 VanDerWaalsContact CD1-CD1 3.42Å; L279-Y304 HydrophobicContact CD1-CD2 4.39Å; L279-Y304 HydrophobicContact CD1-CE1 4.1Å; L279-Y304 HydrophobicContact CD1-CG 3.58Å; L279-Y304 HydrophobicContact CG-CD1 4.4Å; W300-Y304 WeakPolarHBondContact O-CB 3.49Å; W300-Y304 PolarHBondContact O-N 2.93Å; Q302-Y304 VanDerWaalsContact C-N 3.29Å; Q302-Y304 PolarHBondContact O-N 3.03Å; Y304-S307 WeakPolarHBondContact O-CB 3.39Å; Y304-S307 PolarHBondContact O-N 3.36Å; Y304-L308 PolarHBondContact O-N 3.22Å
305W95.9Very high95.4Very high134 Ų13448.4 Ų48.451%0.50824%0.241SC..Hα-helixtrans-76.4-34.9-179.8-67.4117.5000112.7P301 Q302 S307 L308 D309P301-W305 PolarHBondContact O-N 2.63Å; Q302-W305 PolarHBondContact O-N 2.82Å; W305-S307 PolarHBondContact O-N 3.15Å; W305-L308 HydrophobicContact CE3-CD2 3.83Å; W305-L308 HydrophobicContact CZ3-CD2 3.85Å; W305-L308 VanDerWaalsContact O-CB 3.31Å; W305-L308 WeakPolarHBondContact O-CB 3.38Å; W305-L308 PolarHBondContact O-N 3.16Å; W305-D309 PolarHBondContact O-N 3.27Å; W305-D309 VanDerWaalsContact O-N 3.12Å
306Q95.3Very high95.5Very high71 Ų7147.1 Ų47.133%0.33223%0.225SC..Hα-helixtrans-60.7-37.1171.5-175176.526.400111.2Q302 L308 D309 Q310Q302-Q306 VanDerWaalsContact O-CB 3.26Å; Q302-Q306 WeakPolarHBondContact O-CB 3.38Å; Q302-Q306 PolarHBondContact O-N 3.31Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 2.86Å; Q306-D309 PolarHBondContact O-N 3.05Å; Q306-Q310 WeakPolarHBondContact O-CG 3.27Å; Q306-Q310 PolarHBondContact O-N 3.16Å
307S96.1Very high95.5Very high1 Ų147 Ų471%0.00723%0.225CC..Hα-helixtrans-63.8-30.3173.6-68.10000112.8Y4 D303 Y304 W305 A311Y4-S307 PolarHBondContact N-OG 2.7Å; D303-S307 VanDerWaalsContact O-CB 3.29Å; D303-S307 WeakPolarHBondContact O-CB 3.31Å; D303-S307 PolarHBondContact O-N 3.36Å; D303-S307 PolarHBondContact O-OG 3.04Å; Y304-S307 WeakPolarHBondContact O-CB 3.39Å; Y304-S307 PolarHBondContact O-N 3.36Å; W305-S307 PolarHBondContact O-N 3.15Å; S307-A311 WeakPolarHBondContact O-CB 3.5Å; S307-A311 PolarHBondContact O-N 3.37Å
308L96.4Very high95.4Very high33 Ų3350 Ų5017%0.17324%0.241CC..Hα-helixtrans-68.2-47.5172.8175.660.2000110.5H8 P10 Y304 W305 Q306 Q310 A311 E312H8-L308 HydrophobicContact CB-CD1 3.82Å; H8-L308 VanDerWaalsContact CD2-CA 3.48Å; H8-L308 WeakPolarHBondContact CD2-CA 3.4Å; H8-L308 PolarHBondContact CD2-N 3.42Å; H8-L308 PolarHBondContact NE2-N 2.93Å; P10-L308 HydrophobicContact CG-CD1 4.22Å; Y304-L308 PolarHBondContact O-N 3.22Å; W305-L308 HydrophobicContact CE3-CD2 3.83Å; W305-L308 HydrophobicContact CZ3-CD2 3.85Å; W305-L308 VanDerWaalsContact O-CB 3.31Å; W305-L308 WeakPolarHBondContact O-CB 3.38Å; W305-L308 PolarHBondContact O-N 3.16Å; Q306-L308 VanDerWaalsContact C-N 3.27Å; Q306-L308 PolarHBondContact O-N 2.86Å; L308-Q310 VanDerWaalsContact C-N 3.27Å; L308-Q310 PolarHBondContact O-N 2.9Å; L308-A311 WeakPolarHBondContact O-CB 3.25Å; L308-A311 PolarHBondContact O-N 2.91Å; L308-A311 VanDerWaalsContact O-N 3.12Å; L308-E312 HydrophobicContact CD1-CG 4.23Å; L308-E312 WeakPolarHBondContact O-CG 3.48Å; L308-E312 PolarHBondContact O-N 3.19Å
309D96.4Very high95.4Very high63 Ų6353.8 Ų53.834%0.33725%0.25SS..Hα-helixtrans-58.2-42.7176.3-71.4-28.7000110.8W305 Q306 E312 G313 I332 R339W305-D309 PolarHBondContact O-N 3.27Å; W305-D309 VanDerWaalsContact O-N 3.12Å; Q306-D309 PolarHBondContact O-N 3.05Å; D309-E312 PolarHBondContact O-N 2.96Å; D309-G313 PolarHBondContact O-N 3.21Å; D309-I332 HydrophobicContact CB-CG2 4.01Å; D309-I332 WeakPolarHBondContact O-CG1 3.45Å; D309-R339 IonicContact OD1-NH1 3.65Å
310Q96.1Very high95.4Very high42 Ų4255.6 Ų55.620%0.19626%0.256CS..Hα-helixtrans-61.1-45.2174-73.1173.8-3.500112.4V5 Q306 L308 E312 G313 L314 I332V5-Q310 HydrophobicContact CG2-CB 4.01Å; Q306-Q310 WeakPolarHBondContact O-CG 3.27Å; Q306-Q310 PolarHBondContact O-N 3.16Å; L308-Q310 VanDerWaalsContact C-N 3.27Å; L308-Q310 PolarHBondContact O-N 2.9Å; Q310-E312 VanDerWaalsContact C-N 3.33Å; Q310-E312 PolarHBondContact O-N 2.72Å; Q310-G313 PolarHBondContact O-N 3.2Å; Q310-L314 WeakPolarHBondContact O-CG 3.49Å; Q310-L314 PolarHBondContact O-N 2.87Å; Q310-I332 HydrophobicContact CG-CD1 4.24Å
311A96.5Very high95.4Very high0 Ų061.8 Ų61.80%029%0.291CS..Hα-helixtrans-60.2-42.5178.300000112.2V5 H8 P10 S307 L308 L314 E315V5-A311 HydrophobicContact CG1-CB 4.1Å; H8-A311 HydrophobicContact CB-CB 4.22Å; P10-A311 HydrophobicContact CB-CB 4.11Å; S307-A311 WeakPolarHBondContact O-CB 3.5Å; S307-A311 PolarHBondContact O-N 3.37Å; L308-A311 WeakPolarHBondContact O-CB 3.25Å; L308-A311 PolarHBondContact O-N 2.91Å; L308-A311 VanDerWaalsContact O-N 3.12Å; A311-L314 PolarHBondContact O-N 3.43Å; A311-E315 PolarHBondContact O-N 3.05Å
312E96.8Very high95.4Very high30 Ų3064 Ų6414%0.1430%0.3CS..Hα-helixtrans-70.1-36.5175.7-66.4173.9155.600112.5P10 L308 D309 Q310 E315 S316 I335 R339P10-E312 HydrophobicContact CB-CG 3.99Å; P10-E312 HydrophobicContact CG-CG 3.74Å; L308-E312 HydrophobicContact CD1-CG 4.23Å; L308-E312 WeakPolarHBondContact O-CG 3.48Å; L308-E312 PolarHBondContact O-N 3.19Å; D309-E312 PolarHBondContact O-N 2.96Å; Q310-E312 VanDerWaalsContact C-N 3.33Å; Q310-E312 PolarHBondContact O-N 2.72Å; E312-E315 PolarHBondContact O-N 3.14Å; E312-S316 WeakPolarHBondContact O-CB 3.32Å; E312-S316 PolarHBondContact O-N 3.46Å; E312-I335 HydrophobicContact CB-CD1 4.16Å; E312-R339 IonicContact OE1-CZ 3.68Å; E312-R339 IonicContact OE1-NH1 3.54Å; E312-R339 IonicContact OE1-NH2 3.43Å; E312-R339 PolarHBondContact OE1-NH2 3.2Å; E312-R339 IonicContact OE2-CZ 3.54Å; E312-R339 IonicContact OE2-NH1 3.8Å; E312-R339 PolarHBondContact OE2-NH1 3.49Å; E312-R339 IonicContact OE2-NH2 3.38Å; E312-R339 PolarHBondContact OE2-NH2 2.97Å
313G96.7Very high95.4Very high0 Ų063.4 Ų63.40%031%0.31CS..Hα-helixtrans-60-45.4172.100000112D309 Q310 S316 L317 L328D309-G313 PolarHBondContact O-N 3.21Å; Q310-G313 PolarHBondContact O-N 3.2Å; G313-S316 WeakPolarHBondContact O-CB 3.46Å; G313-S316 PolarHBondContact O-N 3.45Å; G313-L317 PolarHBondContact O-N 3.17Å; G313-L328 VanDerWaalsContact C-CD1 3.48Å
314L95.6Very high95.4Very high60 Ų6064.6 Ų64.631%0.31432%0.316SS..Hα-helixtrans-63.1-45.7175.8-71.4170.2000111.7V5 L14 Q310 A311 S316 L317 I318 L328V5-L314 HydrophobicContact CG1-CD1 3.93Å; L14-L314 HydrophobicContact CD1-CB 3.84Å; Q310-L314 WeakPolarHBondContact O-CG 3.49Å; Q310-L314 PolarHBondContact O-N 2.87Å; A311-L314 PolarHBondContact O-N 3.43Å; L314-S316 PolarHBondContact O-N 2.91Å; L314-L317 HydrophobicContact CD2-CD1 4.47Å; L314-L317 PolarHBondContact O-N 3.14Å; L314-I318 PolarHBondContact O-N 2.94Å; L314-I318 VanDerWaalsContact O-N 3.15Å; L314-L328 HydrophobicContact CD2-CD1 4.13Å; L314-L328 HydrophobicContact CG-CD1 4.08Å
315E94.9Very high95.1Very high49 Ų4968.4 Ų68.423%0.22934%0.344CS..Hα-helixtrans-58.3-41.4173.4-171.5-173.9-150.100111L14 A311 E312 I318 R319L14-E315 HydrophobicContact CD2-CB 4.05Å; L14-E315 HydrophobicContact CD2-CG 4.27Å; A311-E315 PolarHBondContact O-N 3.05Å; E312-E315 PolarHBondContact O-N 3.14Å; E315-I318 PolarHBondContact O-N 2.77Å; E315-R319 VanDerWaalsContact CD-NH2 3.28Å; E315-R319 HydrophobicContact CG-CG 4.48Å; E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 VanDerWaalsContact O-CG 3.32Å; E315-R319 WeakPolarHBondContact O-CG 3.3Å; E315-R319 PolarHBondContact O-N 3.48Å; E315-R319 IonicContact OE1-CZ 3.73Å; E315-R319 IonicContact OE1-NE 3.26Å; E315-R319 PolarHBondContact OE1-NE 3.49Å; E315-R319 IonicContact OE1-NH2 3.06Å; E315-R319 PolarHBondContact OE1-NH2 3.41Å; E315-R319 IonicContact OE2-CZ 3.34Å; E315-R319 IonicContact OE2-NH2 2.74Å; E315-R319 PolarHBondContact OE2-NH2 2.93Å
316S95.8Very high95.1Very high17 Ų1765.9 Ų65.912%0.11935%0.347CS..Hα-helixtrans-64.5-40.7177.6-173.50000112.5E312 G313 L314 R319 H320 H331E312-S316 WeakPolarHBondContact O-CB 3.32Å; E312-S316 PolarHBondContact O-N 3.46Å; G313-S316 WeakPolarHBondContact O-CB 3.46Å; G313-S316 PolarHBondContact O-N 3.45Å; L314-S316 PolarHBondContact O-N 2.91Å; S316-R319 PolarHBondContact O-N 2.93Å; S316-H320 PolarHBondContact O-N 3.42Å; S316-H320 VanDerWaalsContact O-N 3.16Å; S316-H320 PolarHBondContact O-ND1 3.32Å; S316-H320 PolarHBondContact OG-ND1 3.49Å; S316-H331 PolarHBondContact OG-ND1 3.43Å
317L95.5Very high95.1Very high11 Ų1164.5 Ų64.56%0.05834%0.341CS..Hα-helixtrans-58.9-50.4176-73.3170.3000110.5G313 L314 R319 H320 N321 E322 L327 L328 H331G313-L317 PolarHBondContact O-N 3.17Å; L314-L317 HydrophobicContact CD2-CD1 4.47Å; L314-L317 PolarHBondContact O-N 3.14Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 3.27Å; L317-H320 CarbonylContact O-C 3.47Å; L317-H320 PolarHBondContact O-N 3.47Å; L317-N321 PolarHBondContact O-N 2.88Å; L317-E322 HydrophobicContact CB-CB 4.43Å; L317-E322 HydrophobicContact CD2-CB 3.87Å; L317-E322 HydrophobicContact CD2-CG 3.56Å; L317-E322 PolarHBondContact O-N 3.25Å; L317-L327 HydrophobicContact CD2-CB 3.98Å; L317-L328 HydrophobicContact CD1-CB 4.09Å; L317-L328 HydrophobicContact CD1-CD1 3.99Å; L317-H331 WeakPolarHBondContact CD2-CD2 3.43Å
318I92.8Very high95.1Very high105 Ų10566 Ų6654%0.53835%0.349SS..Hα-helixtrans-59.8-44.3-179.8-68.9163.4000111L14 L314 E315 H320 N321L14-I318 HydrophobicContact CB-CD1 4.42Å; L14-I318 HydrophobicContact CD1-CD1 3.95Å; L14-I318 HydrophobicContact CD2-CD1 3.64Å; L14-I318 HydrophobicContact CG-CD1 4.19Å; L314-I318 PolarHBondContact O-N 2.94Å; L314-I318 VanDerWaalsContact O-N 3.15Å; E315-I318 PolarHBondContact O-N 2.77Å; I318-H320 PolarHBondContact O-N 3.35Å; I318-N321 PolarHBondContact O-N 3.35Å
319R92.7Very high95Very high181 Ų18170.9 Ų70.968%0.68337%0.365SS*.Hα-helixtrans-62.8-27.8177.5-74.6-179.4-177.3-162.57.1113.6E315 S316 L317 N321E315-R319 VanDerWaalsContact CD-NH2 3.28Å; E315-R319 HydrophobicContact CG-CG 4.48Å; E315-R319 WeakPolarHBondContact O-CB 3.36Å; E315-R319 VanDerWaalsContact O-CG 3.32Å; E315-R319 WeakPolarHBondContact O-CG 3.3Å; E315-R319 PolarHBondContact O-N 3.48Å; E315-R319 IonicContact OE1-CZ 3.73Å; E315-R319 IonicContact OE1-NE 3.26Å; E315-R319 PolarHBondContact OE1-NE 3.49Å; E315-R319 IonicContact OE1-NH2 3.06Å; E315-R319 PolarHBondContact OE1-NH2 3.41Å; E315-R319 IonicContact OE2-CZ 3.34Å; E315-R319 IonicContact OE2-NH2 2.74Å; E315-R319 PolarHBondContact OE2-NH2 2.93Å; S316-R319 PolarHBondContact O-N 2.93Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 3.27Å; R319-N321 VanDerWaalsContact C-N 3.34Å
320H95Very high95Very high130 Ų13073.5 Ų73.560%0.60237%0.374SS*.THydrogen-bonded Turntrans-93.47.9176.9-67.280.2000113S316 L317 I318 E322 H331S316-H320 PolarHBondContact O-N 3.42Å; S316-H320 VanDerWaalsContact O-N 3.16Å; S316-H320 PolarHBondContact O-ND1 3.32Å; S316-H320 PolarHBondContact OG-ND1 3.49Å; L317-H320 CarbonylContact O-C 3.47Å; L317-H320 PolarHBondContact O-N 3.47Å; I318-H320 PolarHBondContact O-N 3.35Å; H320-E322 PolarHBondContact O-N 2.92Å; H320-H331 AromaticContact CG-CE1 3.92Å; H320-H331 AromaticContact ND1-CE1 3.8Å
321N94.9Very high94.9Very high156 Ų15672.5 Ų72.583%0.83437%0.369SS*.THydrogen-bonded Turntrans53.237-175-16657.1000112.1L317 I318 R319L317-N321 PolarHBondContact O-N 2.88Å; I318-N321 PolarHBondContact O-N 3.35Å; R319-N321 VanDerWaalsContact C-N 3.34Å
322E95.6Very high94.9Very high68 Ų6873.3 Ų73.332%0.31837%0.373SS..  trans-98.2127179.5-17654.5-97.900109.8L317 H320 D324 L327L317-E322 HydrophobicContact CB-CB 4.43Å; L317-E322 HydrophobicContact CD2-CB 3.87Å; L317-E322 HydrophobicContact CD2-CG 3.56Å; L317-E322 PolarHBondContact O-N 3.25Å; H320-E322 PolarHBondContact O-N 2.92Å; E322-D324 WeakPolarHBondContact OE1-CB 3.46Å; E322-D324 PolarHBondContact OE1-N 2.9Å; E322-L327 HydrophobicContact CG-CB 4.39Å; E322-L327 HydrophobicContact CG-CD1 3.6Å; E322-L327 VanDerWaalsContact OE2-CD1 3.28Å; E322-L327 WeakPolarHBondContact OE2-CD1 3.2Å
323S92.6Very high94.8Very high115 Ų11577.8 Ų77.880%0.80439%0.394SS*.  trans-110.4-9.2-178.458.70000113.3P325S323-P325 WeakPolarHBondContact O-CD 3.4Å
324D94.8Very high94.6Very high66 Ų6682.1 Ų82.135%0.35342%0.417SS..  trans-76.3109.1175.9-178.72.2000111E322 S326 L327E322-D324 WeakPolarHBondContact OE1-CB 3.46Å; E322-D324 PolarHBondContact OE1-N 2.9Å; D324-S326 PolarHBondContact O-N 3.41Å; D324-S326 VanDerWaalsContact O-N 3.17Å; D324-S326 WeakPolarHBondContact OD1-CB 3.44Å; D324-S326 PolarHBondContact OD1-N 2.99Å; D324-S326 PolarHBondContact OD1-OG 2.94Å; D324-S326 PolarHBondContact OD2-OG 3.36Å; D324-L327 HydrophobicContact CB-CD1 4.1Å; D324-L327 HydrophobicContact CB-CG 4.25Å; D324-L327 PolarHBondContact O-N 3.12Å
325P91.5Very high94.5Very high105 Ų10581.1 Ų81.168%0.68241%0.412SS*.G310 helixtrans-65.9-18.5-179.729.5-36000112.9S323 L327 L328S323-P325 WeakPolarHBondContact O-CD 3.4Å; P325-L327 PolarHBondContact O-N 2.9Å; P325-L328 WeakPolarHBondContact O-CB 3.44Å; P325-L328 PolarHBondContact O-N 3.26Å
326S94.8Very high94.3Very high81 Ų8181.3 Ų81.357%0.56642%0.422SS*.G310 helixtrans-63.6-22177.985.90000112.6D324 L328D324-S326 PolarHBondContact O-N 3.41Å; D324-S326 VanDerWaalsContact O-N 3.17Å; D324-S326 WeakPolarHBondContact OD1-CB 3.44Å; D324-S326 PolarHBondContact OD1-N 2.99Å; D324-S326 PolarHBondContact OD1-OG 2.94Å; D324-S326 PolarHBondContact OD2-OG 3.36Å; S326-L328 VanDerWaalsContact C-N 3.34Å
327L96.1Very high94.1Very high41 Ų4183.6 Ų83.622%0.21544%0.435CS..G310 helixtrans-83.9-5.6-179.1-63.1177.2000113.7L317 E322 D324 P325 W329 K330 H331L317-L327 HydrophobicContact CD2-CB 3.98Å; E322-L327 HydrophobicContact CG-CB 4.39Å; E322-L327 HydrophobicContact CG-CD1 3.6Å; E322-L327 VanDerWaalsContact OE2-CD1 3.28Å; E322-L327 WeakPolarHBondContact OE2-CD1 3.2Å; D324-L327 HydrophobicContact CB-CD1 4.1Å; D324-L327 HydrophobicContact CB-CG 4.25Å; D324-L327 PolarHBondContact O-N 3.12Å; P325-L327 PolarHBondContact O-N 2.9Å; L327-W329 VanDerWaalsContact C-N 3.31Å; L327-W329 PolarHBondContact O-N 2.91Å; L327-K330 HydrophobicContact CD2-CD 4.15Å; L327-K330 WeakPolarHBondContact O-CB 3.27Å; L327-K330 PolarHBondContact O-N 3.44Å; L327-H331 PolarHBondContact O-CD2 3.45Å; L327-H331 PolarHBondContact O-N 2.96Å; L327-H331 VanDerWaalsContact O-N 3.08Å
328L94.9Very high93.7Very high32 Ų3285.4 Ų85.417%0.16845%0.448CS..Hα-helixtrans-50.9-49.5-178.5178.560.5000112.3G313 L314 L317 P325 S326 K330 H331 I332G313-L328 VanDerWaalsContact C-CD1 3.48Å; L314-L328 HydrophobicContact CD2-CD1 4.13Å; L314-L328 HydrophobicContact CG-CD1 4.08Å; L317-L328 HydrophobicContact CD1-CB 4.09Å; L317-L328 HydrophobicContact CD1-CD1 3.99Å; P325-L328 WeakPolarHBondContact O-CB 3.44Å; P325-L328 PolarHBondContact O-N 3.26Å; S326-L328 VanDerWaalsContact C-N 3.34Å; L328-K330 VanDerWaalsContact C-N 3.31Å; L328-K330 PolarHBondContact O-N 3.15Å; L328-H331 WeakPolarHBondContact O-CB 3.28Å; L328-H331 PolarHBondContact O-N 3.38Å; L328-H331 VanDerWaalsContact O-N 3.14Å; L328-I332 HydrophobicContact CD1-CD1 4.14Å; L328-I332 HydrophobicContact CD1-CG1 4.36Å; L328-I332 HydrophobicContact CG-CD1 3.95Å; L328-I332 WeakPolarHBondContact O-CG1 3.39Å; L328-I332 PolarHBondContact O-N 2.89Å
329W95.2Very high93.4Very high136 Ų13684.7 Ų84.752%0.51544%0.439SS..Hα-helixtrans-63.6-35.7-179.5-69.5114.3000113.4L327 H331 I332 Q333L327-W329 VanDerWaalsContact C-N 3.31Å; L327-W329 PolarHBondContact O-N 2.91Å; W329-H331 VanDerWaalsContact C-N 3.33Å; W329-I332 HydrophobicContact CE3-CD1 3.82Å; W329-I332 HydrophobicContact CZ3-CD1 3.96Å; W329-I332 PolarHBondContact O-N 3.29Å; W329-Q333 WeakPolarHBondContact O-CB 3.28Å; W329-Q333 VanDerWaalsContact O-CG 3.26Å; W329-Q333 WeakPolarHBondContact O-CG 3.16Å; W329-Q333 PolarHBondContact O-N 3.39Å
330K95.3Very high93.1Very high119 Ų11980.4 Ų80.452%0.51744%0.442SS..Hα-helixtrans-63.7-41.9175.4-176.7-174.7178.4-174.90110.7L327 L328 Q333 N334L327-K330 HydrophobicContact CD2-CD 4.15Å; L327-K330 WeakPolarHBondContact O-CB 3.27Å; L327-K330 PolarHBondContact O-N 3.44Å; L328-K330 VanDerWaalsContact C-N 3.31Å; L328-K330 PolarHBondContact O-N 3.15Å; K330-Q333 PolarHBondContact O-N 2.95Å; K330-N334 WeakPolarHBondContact O-CB 3.43Å; K330-N334 PolarHBondContact O-N 3.33Å; K330-N334 PolarHBondContact O-ND2 3.17Å
331H95.9Very high92.6Very high21 Ų2183 Ų8310%0.09745%0.447CS..Hα-helixtrans-65.3-44.7176.4-82.5-95.9000112.2S316 L317 H320 L327 L328 W329 Q333 N334 I335S316-H331 PolarHBondContact OG-ND1 3.43Å; L317-H331 WeakPolarHBondContact CD2-CD2 3.43Å; H320-H331 AromaticContact CG-CE1 3.92Å; H320-H331 AromaticContact ND1-CE1 3.8Å; L327-H331 PolarHBondContact O-CD2 3.45Å; L327-H331 PolarHBondContact O-N 2.96Å; L327-H331 VanDerWaalsContact O-N 3.08Å; L328-H331 WeakPolarHBondContact O-CB 3.28Å; L328-H331 PolarHBondContact O-N 3.38Å; L328-H331 VanDerWaalsContact O-N 3.14Å; W329-H331 VanDerWaalsContact C-N 3.33Å; H331-Q333 VanDerWaalsContact C-N 3.34Å; H331-Q333 PolarHBondContact O-N 3.35Å; H331-N334 PolarHBondContact O-N 3.06Å; H331-I335 WeakPolarHBondContact O-CG1 3.46Å; H331-I335 PolarHBondContact O-N 2.89Å
332I95.8Very high91.4Very high17 Ų1778.7 Ų78.79%0.08744%0.439CS..Hα-helixtrans-57.1-48.3174.9-66171.1000110.8D309 Q310 L328 W329 N334 I335 A336D309-I332 HydrophobicContact CB-CG2 4.01Å; D309-I332 WeakPolarHBondContact O-CG1 3.45Å; Q310-I332 HydrophobicContact CG-CD1 4.24Å; L328-I332 HydrophobicContact CD1-CD1 4.14Å; L328-I332 HydrophobicContact CD1-CG1 4.36Å; L328-I332 HydrophobicContact CG-CD1 3.95Å; L328-I332 WeakPolarHBondContact O-CG1 3.39Å; L328-I332 PolarHBondContact O-N 2.89Å; W329-I332 HydrophobicContact CE3-CD1 3.82Å; W329-I332 HydrophobicContact CZ3-CD1 3.96Å; W329-I332 PolarHBondContact O-N 3.29Å; I332-N334 PolarHBondContact O-N 2.84Å; I332-I335 PolarHBondContact O-N 3.48Å; I332-A336 PolarHBondContact O-N 3.32Å
333Q94.4Very high89.8Confident123 Ų12382.7 Ų82.758%0.57546%0.456SS*.Hα-helixtrans-60.1-44.2177.7-74.1173.4-6.100112.1W329 K330 H331 I335 A336 V337W329-Q333 WeakPolarHBondContact O-CB 3.28Å; W329-Q333 VanDerWaalsContact O-CG 3.26Å; W329-Q333 WeakPolarHBondContact O-CG 3.16Å; W329-Q333 PolarHBondContact O-N 3.39Å; K330-Q333 PolarHBondContact O-N 2.95Å; H331-Q333 VanDerWaalsContact C-N 3.34Å; H331-Q333 PolarHBondContact O-N 3.35Å; Q333-I335 VanDerWaalsContact C-N 3.34Å; Q333-I335 PolarHBondContact O-N 3.25Å; Q333-A336 PolarHBondContact O-N 2.95Å; Q333-V337 VanDerWaalsContact O-CG2 3.31Å; Q333-V337 WeakPolarHBondContact O-CG2 3.3Å; Q333-V337 PolarHBondContact O-N 3.26Å
334N93.3Very high87.9Confident91 Ų9187.5 Ų87.549%0.48747%0.465SS..Hα-helixtrans-61.8-41.6178.5-71.8-23.6000112.1K330 H331 I332 V337 S338K330-N334 WeakPolarHBondContact O-CB 3.43Å; K330-N334 PolarHBondContact O-N 3.33Å; K330-N334 PolarHBondContact O-ND2 3.17Å; H331-N334 PolarHBondContact O-N 3.06Å; I332-N334 PolarHBondContact O-N 2.84Å; N334-V337 PolarHBondContact O-N 2.94Å; N334-S338 PolarHBondContact O-N 2.92Å
335I92.5Very high87.6Confident39 Ų3988.6 Ų88.620%0.247%0.471CS..Hα-helixtrans-61.7-48.5175.5-68.7162000110.1E312 H331 I332 Q333 V337 S338 R339E312-I335 HydrophobicContact CB-CD1 4.16Å; H331-I335 WeakPolarHBondContact O-CG1 3.46Å; H331-I335 PolarHBondContact O-N 2.89Å; I332-I335 PolarHBondContact O-N 3.48Å; Q333-I335 VanDerWaalsContact C-N 3.34Å; Q333-I335 PolarHBondContact O-N 3.25Å; I335-V337 VanDerWaalsContact C-N 3.34Å; I335-V337 PolarHBondContact O-N 2.76Å; I335-S338 WeakPolarHBondContact O-CB 3.33Å; I335-S338 PolarHBondContact O-N 3.35Å; I335-S338 VanDerWaalsContact O-N 3.11Å; I335-R339 PolarHBondContact O-N 3.3Å
336A90.8Very high87.4Confident53 Ų5387.7 Ų87.744%0.43846%0.46SS..Hα-helixtrans-59-43178.400000112.3I332 Q333 S338 R339 A340I332-A336 PolarHBondContact O-N 3.32Å; Q333-A336 PolarHBondContact O-N 2.95Å; A336-S338 PolarHBondContact O-N 3.05Å; A336-R339 PolarHBondContact O-N 3.16Å; A336-A340 PolarHBondContact O-N 3.39Å; A336-A340 VanDerWaalsContact O-N 3.07Å
337V90.8Very high87Confident66 Ų6688.1 Ų88.140%0.445%0.454SS..Hα-helixtrans-64.2-38.4175.3173.10000111.8Q333 N334 I335 A340 R341Q333-V337 VanDerWaalsContact O-CG2 3.31Å; Q333-V337 WeakPolarHBondContact O-CG2 3.3Å; Q333-V337 PolarHBondContact O-N 3.26Å; N334-V337 PolarHBondContact O-N 2.94Å; I335-V337 VanDerWaalsContact C-N 3.34Å; I335-V337 PolarHBondContact O-N 2.76Å; V337-A340 PolarHBondContact O-N 2.94Å; V337-R341 VanDerWaalsContact O-CG 3.31Å; V337-R341 WeakPolarHBondContact O-CG 3.33Å; V337-R341 PolarHBondContact O-N 3.27Å
338S87.1Confident86.4Confident48 Ų4890.9 Ų90.934%0.33647%0.468SS..Hα-helixtrans-64.1-43.9177-166.90000111.9N334 I335 A336 R341 G342 K343N334-S338 PolarHBondContact O-N 2.92Å; I335-S338 WeakPolarHBondContact O-CB 3.33Å; I335-S338 PolarHBondContact O-N 3.35Å; I335-S338 VanDerWaalsContact O-N 3.11Å; A336-S338 PolarHBondContact O-N 3.05Å; S338-R341 PolarHBondContact O-N 3.01Å; S338-R341 VanDerWaalsContact O-N 3.15Å; S338-G342 PolarHBondContact O-N 2.94Å; S338-K343 PolarHBondContact O-N 3.39Å; S338-K343 PolarHBondContact OG-O 2.66Å
339R87.6Confident85.9Confident90 Ų9094.6 Ų94.634%0.3449%0.486SS..Hα-helixtrans-58-49175.3-74178.3171.9148.712.3111.9D309 E312 I335 A336 R341 G342D309-R339 IonicContact OD1-NH1 3.65Å; E312-R339 IonicContact OE1-CZ 3.68Å; E312-R339 IonicContact OE1-NH1 3.54Å; E312-R339 IonicContact OE1-NH2 3.43Å; E312-R339 PolarHBondContact OE1-NH2 3.2Å; E312-R339 IonicContact OE2-CZ 3.54Å; E312-R339 IonicContact OE2-NH1 3.8Å; E312-R339 PolarHBondContact OE2-NH1 3.49Å; E312-R339 IonicContact OE2-NH2 3.38Å; E312-R339 PolarHBondContact OE2-NH2 2.97Å; I335-R339 PolarHBondContact O-N 3.3Å; A336-R339 PolarHBondContact O-N 3.16Å; R339-R341 PolarHBondContact O-N 3.18Å; R339-R341 VanDerWaalsContact O-N 3.13Å; R339-G342 PolarHBondContact O-N 3.49Å
340A85.4Confident85.3Confident91 Ų9191.8 Ų91.875%0.75249%0.485SS*.Hα-helixtrans-61.1-23.617900000113.3A336 V337A336-A340 PolarHBondContact O-N 3.39Å; A336-A340 VanDerWaalsContact O-N 3.07Å; V337-A340 PolarHBondContact O-N 2.94Å
341R84.9Confident84.6Confident185 Ų18589.9 Ų89.970%0.69848%0.482SS*.THydrogen-bonded Turntrans-91.72.4178.3-69.6173.4177.3177.1-0114V337 S338 R339 K343V337-R341 VanDerWaalsContact O-CG 3.31Å; V337-R341 WeakPolarHBondContact O-CG 3.33Å; V337-R341 PolarHBondContact O-N 3.27Å; S338-R341 PolarHBondContact O-N 3.01Å; S338-R341 VanDerWaalsContact O-N 3.15Å; R339-R341 PolarHBondContact O-N 3.18Å; R339-R341 VanDerWaalsContact O-N 3.13Å; R341-K343 VanDerWaalsContact C-N 3.28Å; R341-K343 PolarHBondContact O-N 3Å
342G70.8Confident83.7Confident66 Ų6695.2 Ų95.268%0.6851%0.512SS*.THydrogen-bonded Turntrans68.422177.400000114.7S338 R339S338-G342 PolarHBondContact O-N 2.94Å; R339-G342 PolarHBondContact O-N 3.49Å
343K60.9Low82.7Confident152 Ų152101.7 Ų101.766%0.66155%0.547SS*.  trans-94.1101.4175.1-69.5-174.8177.6-173.40109S338 R341S338-K343 PolarHBondContact O-N 3.39Å; S338-K343 PolarHBondContact OG-O 2.66Å; R341-K343 VanDerWaalsContact C-N 3.28Å; R341-K343 PolarHBondContact O-N 3Å
344H53.9Low81.6Confident216 Ų21699.7 Ų99.7100%155%0.545SS*.  trans-123.70167.2-80.4-54.4000110.5

Retrieved 344 of 344 residues in 171.3 ms (Link to these results)

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