A0A3Q0KPW7_SCHMA Loading...

Hexosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KPW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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
1M54.3Low65.2Low150 Ų15086.3 Ų86.374%0.73944%0.438SS*.  0131.10-118.8-178.46600106.6Y42 R44M1-Y42 HydrophobicContact CE-CE2 4.02Å; M1-R44 HydrophobicContact CE-CB 3.98Å; M1-R44 HydrophobicContact CE-CG 3.36Å; M1-R44 VanDerWaalsContact CE-CZ 3.44Å
2E63.3Low64.8Low156 Ų15691.4 Ų91.473%0.72946%0.456SS*.  trans-74.7138.7-179.8-69.6172.8172.100109.8V43 R44E2-V43 HydrophobicContact CB-CG1 4.45Å; E2-V43 WeakPolarHBondContact O-CG1 3.48Å; E2-R44 PolarHBondContact O-N 3.07Å
3E66.1Low65Low136 Ų13690.8 Ų90.864%0.63645%0.45SS*.EExtended strand (participates in β ladder)trans-114.9130171.3-71.9-173.4179.500108.7R44E3-R44 VanDerWaalsContact CA-O 3.3Å; E3-R44 WeakPolarHBondContact CA-O 3.5Å; E3-R44 HydrophobicContact CG-CB 4.32Å
4E68.7Low66.1Low70 Ų7085.1 Ų85.133%0.32742%0.422SS..EExtended strand (participates in β ladder)trans-109.6139.7174.5-86.3175.4-163.200110.1L6 V43 R44 L45 S46E4-L6 PolarHBondContact O-N 2.8Å; E4-V43 HydrophobicContact CB-CG1 3.75Å; E4-V43 HydrophobicContact CG-CG1 3.69Å; E4-R44 PolarHBondContact N-O 3.2Å; E4-L45 HydrophobicContact CB-CD2 4.13Å; E4-L45 CarbonylContact O-C 3.56Å; E4-L45 VanDerWaalsContact O-CA 3.3Å; E4-L45 WeakPolarHBondContact O-CA 3.34Å; E4-S46 PolarHBondContact O-N 3.21Å; E4-S46 PolarHBondContact O-OG 3.29Å
5L70.5Confident67.4Low132 Ų13282.2 Ų82.269%0.69141%0.409SS*.EExtended strand (participates in β ladder)trans-69126.3165.6-162.698.4000107.9S7 S10 S46L5-S7 PolarHBondContact O-N 3.03Å; L5-S10 PolarHBondContact O-OG 2.87Å; L5-S46 WeakPolarHBondContact CA-OG 3.04Å
6L66.8Low69Low13 Ų1377.1 Ų77.17%0.06838%0.383CS..  trans-65.7102.7172.1-16898.3000108.6E4 L11 L45 F48 L64 P154E4-L6 PolarHBondContact O-N 2.8Å; L6-L11 HydrophobicContact CD2-CD2 4.15Å; L6-L11 HydrophobicContact CD2-CG 4.34Å; L6-L45 HydrophobicContact CB-CD2 4.12Å; L6-L45 HydrophobicContact CD1-CD1 3.26Å; L6-L45 HydrophobicContact CD1-CD2 3.84Å; L6-L45 HydrophobicContact CD1-CG 4.08Å; L6-L45 HydrophobicContact CG-CD1 4.44Å; L6-F48 HydrophobicContact CB-CE2 4.09Å; L6-F48 HydrophobicContact CD2-CE2 4.49Å; L6-L64 HydrophobicContact CD1-CD2 4.1Å; L6-P154 HydrophobicContact CD2-CB 3.34Å; L6-P154 HydrophobicContact CD2-CG 3.03Å
7S66.7Low70.4Confident35 Ų3572.6 Ų72.625%0.24536%0.361CS..  trans-104.5172-175.7680000111.1L5 D9 S10 L11 T155L5-S7 PolarHBondContact O-N 3.03Å; S7-D9 PolarHBondContact O-N 3.21Å; S7-D9 WeakPolarHBondContact OG-CB 3.3Å; S7-D9 PolarHBondContact OG-N 2.87Å; S7-S10 PolarHBondContact N-OG 3.45Å; S7-S10 PolarHBondContact O-N 2.97Å; S7-S10 PolarHBondContact OG-N 3.4Å; S7-S10 VanDerWaalsContact OG-N 3.07Å; S7-S10 PolarHBondContact OG-OG 3.32Å; S7-L11 PolarHBondContact O-N 3.36Å; S7-T155 VanDerWaalsContact C-CG2 3.5Å
8N63.4Low71.7Confident108 Ų10870.4 Ų70.458%0.57835%0.354SS*.Hα-helixtrans-58.8-29.3167.6-80.1-31.4000111.5F12 T155N8-F12 WeakPolarHBondContact O-CB 3.17Å; N8-F12 PolarHBondContact O-N 3.15Å; N8-T155 WeakPolarHBondContact OD1-CB 3.35Å; N8-T155 WeakPolarHBondContact OD1-CG2 3.3Å; N8-T155 PolarHBondContact OD1-OG1 3.41Å
9D63.3Low72.8Confident113 Ų11367.8 Ų67.860%0.60434%0.341SS*.Hα-helixtrans-71.2-40.8176.4-62.5-24.2000111.2S7 L11 F12 H13S7-D9 PolarHBondContact O-N 3.21Å; S7-D9 WeakPolarHBondContact OG-CB 3.3Å; S7-D9 PolarHBondContact OG-N 2.87Å; D9-L11 PolarHBondContact O-N 3.33Å; D9-F12 WeakPolarHBondContact O-CB 3.36Å; D9-F12 PolarHBondContact O-N 2.8Å; D9-F12 VanDerWaalsContact O-N 3.15Å; D9-H13 PolarHBondContact O-CD2 3.39Å; D9-H13 PolarHBondContact O-N 3.02Å
10S66.2Low73.8Confident9 Ų964.5 Ų64.56%0.06332%0.324CS..Hα-helixtrans-61.2-43.8174.2-46.70000111.3L5 S7 H13 M14L5-S10 PolarHBondContact O-OG 2.87Å; S7-S10 PolarHBondContact N-OG 3.45Å; S7-S10 PolarHBondContact O-N 2.97Å; S7-S10 PolarHBondContact OG-N 3.4Å; S7-S10 VanDerWaalsContact OG-N 3.07Å; S7-S10 PolarHBondContact OG-OG 3.32Å; S10-H13 PolarHBondContact O-N 3.47Å; S10-M14 PolarHBondContact O-N 3.4Å
11L68.1Low74.8Confident27 Ų2761.6 Ų61.614%0.14131%0.31CS..Hα-helixtrans-68.2-34.7173.2-71.1-176.7000112.5L6 S7 D9 H13 M14 L147 P154 T155L6-L11 HydrophobicContact CD2-CD2 4.15Å; L6-L11 HydrophobicContact CD2-CG 4.34Å; S7-L11 PolarHBondContact O-N 3.36Å; D9-L11 PolarHBondContact O-N 3.33Å; L11-H13 PolarHBondContact O-N 3.04Å; L11-M14 HydrophobicContact CD2-SD 3.75Å; L11-M14 WeakPolarHBondContact O-CB 3.36Å; L11-M14 PolarHBondContact O-N 2.97Å; L11-L147 HydrophobicContact CD2-CD1 3.86Å; L11-P154 HydrophobicContact CD1-CG 4.31Å; L11-T155 HydrophobicContact CD1-CG2 3.45Å; L11-T155 VanDerWaalsContact CD1-CG2 3.45Å; L11-T155 HydrophobicContact CG-CG2 4.12Å
12F60.2Low76.8Confident148 Ų14861.7 Ų61.765%0.64931%0.306SS*.Hα-helixtrans-62.6-31.6174.9177.8-95.7000111.7N8 D9 M14N8-F12 WeakPolarHBondContact O-CB 3.17Å; N8-F12 PolarHBondContact O-N 3.15Å; D9-F12 WeakPolarHBondContact O-CB 3.36Å; D9-F12 PolarHBondContact O-N 2.8Å; D9-F12 VanDerWaalsContact O-N 3.15Å; F12-M14 VanDerWaalsContact C-N 3.33Å
13H66.9Low78.3Confident83 Ų8356.6 Ų56.638%0.38429%0.288SS..Hα-helixtrans-75.4-16.2172.7-67-34.5000114.1D9 S10 L11 N15 G62D9-H13 PolarHBondContact O-CD2 3.39Å; D9-H13 PolarHBondContact O-N 3.02Å; S10-H13 PolarHBondContact O-N 3.47Å; L11-H13 PolarHBondContact O-N 3.04Å; H13-N15 PolarHBondContact O-N 3.44Å; H13-N15 PolarHBondContact O-OD1 3.39Å; H13-G62 PolarHBondContact O-N 2.98Å
14M81.5Confident79.6Confident11 Ų1154.2 Ų54.25%0.05428%0.277CS..  trans-74.662.6169.3-64.1-175.471.900111.4S10 L11 F12 L64 V144 L147S10-M14 PolarHBondContact O-N 3.4Å; L11-M14 HydrophobicContact CD2-SD 3.75Å; L11-M14 WeakPolarHBondContact O-CB 3.36Å; L11-M14 PolarHBondContact O-N 2.97Å; F12-M14 VanDerWaalsContact C-N 3.33Å; M14-L64 HydrophobicContact CE-CB 3.98Å; M14-L64 HydrophobicContact CE-CD1 3.62Å; M14-L64 HydrophobicContact CE-CG 3.56Å; M14-L64 HydrophobicContact CG-CG 4.45Å; M14-L64 HydrophobicContact SD-CB 4.49Å; M14-L64 HydrophobicContact SD-CD1 3.32Å; M14-L64 WeakPolarHBondContact SD-CD1 3.14Å; M14-L64 HydrophobicContact SD-CD2 4.4Å; M14-L64 HydrophobicContact SD-CG 3.45Å; M14-L64 WeakPolarHBondContact SD-CG 3.45Å; M14-V144 HydrophobicContact CE-CG1 4.46Å; M14-V144 WeakPolarHBondContact CE-O 3.45Å; M14-L147 HydrophobicContact CE-CG 4.45Å; M14-L147 HydrophobicContact SD-CD1 4.34Å
15N85.6Confident80.8Confident42 Ų4257.4 Ų57.423%0.22529%0.292CS..  trans-115.525-172.567.37.1000112.3H13 L17 S18 I19 Y61H13-N15 PolarHBondContact O-N 3.44Å; H13-N15 PolarHBondContact O-OD1 3.39Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 2.77Å; N15-S18 WeakPolarHBondContact O-CA 3.36Å; N15-S18 VanDerWaalsContact O-CB 3.24Å; N15-S18 WeakPolarHBondContact O-CB 3.24Å; N15-S18 PolarHBondContact O-N 3.1Å; N15-I19 PolarHBondContact O-N 3.16Å; N15-I19 VanDerWaalsContact OD1-CD1 3.29Å; N15-I19 WeakPolarHBondContact OD1-CD1 3.29Å; N15-Y61 WeakPolarHBondContact OD1-CB 3.45Å
16M92.4Very high81.9Confident0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-45.4-55.7178.6177.8-165.9165.300110.5S18 I19 C20 W27 C30 L34 Y61 L63 V145 L203M16-S18 VanDerWaalsContact C-N 3.26Å; M16-S18 PolarHBondContact O-N 2.89Å; M16-I19 PolarHBondContact O-N 2.96Å; M16-I19 VanDerWaalsContact O-N 3.12Å; M16-C20 HydrophobicContact CG-CB 4.49Å; M16-C20 VanDerWaalsContact CG-SG 3.51Å; M16-C20 WeakPolarHBondContact O-CB 3.04Å; M16-C20 PolarHBondContact O-N 2.97Å; M16-C20 PolarHBondContact O-SG 3.47Å; M16-W27 HydrophobicContact CE-CZ3 4.45Å; M16-C30 HydrophobicContact CE-CB 4.18Å; M16-L34 HydrophobicContact CE-CD1 3.29Å; M16-L34 HydrophobicContact CE-CD2 4.47Å; M16-L34 HydrophobicContact CE-CG 3.91Å; M16-L34 HydrophobicContact SD-CD1 3.95Å; M16-L34 HydrophobicContact SD-CD2 4.34Å; M16-L34 HydrophobicContact SD-CG 4.43Å; M16-Y61 HydrophobicContact CB-CD1 4.47Å; M16-Y61 HydrophobicContact CB-CD2 3.57Å; M16-Y61 HydrophobicContact CB-CE1 4.49Å; M16-Y61 HydrophobicContact CB-CE2 3.61Å; M16-Y61 HydrophobicContact CB-CG 4.02Å; M16-Y61 HydrophobicContact CG-CD2 4.02Å; M16-Y61 HydrophobicContact CG-CE1 4.13Å; M16-Y61 HydrophobicContact CG-CE2 3.51Å; M16-Y61 HydrophobicContact SD-CE2 4.2Å; M16-L63 HydrophobicContact CB-CD2 4.24Å; M16-L63 HydrophobicContact SD-CD2 4.06Å; M16-V145 HydrophobicContact CB-CG1 4.23Å; M16-V145 HydrophobicContact CG-CG1 4.39Å; M16-V145 HydrophobicContact SD-CB 4.32Å; M16-V145 HydrophobicContact SD-CG1 3.66Å; M16-V145 HydrophobicContact SD-CG2 3.78Å; M16-L203 HydrophobicContact CE-CD1 4.11Å
17L93.3Very high83.2Confident2 Ų252.7 Ų52.71%0.0127%0.265CS..Hα-helixtrans-58.5-37.9-179.2-72.2179.5000112.3N15 T21 V145 Q146 L203 L243 Y244N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 2.77Å; L17-T21 VanDerWaalsContact O-CB 3.23Å; L17-T21 WeakPolarHBondContact O-CB 3.27Å; L17-T21 WeakPolarHBondContact O-CG2 3.43Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 2.98Å; L17-V145 HydrophobicContact CD1-CG1 4.26Å; L17-V145 HydrophobicContact CD2-CG1 4.17Å; L17-V145 HydrophobicContact CG-CG1 3.77Å; L17-Q146 HydrophobicContact CD1-CB 4.44Å; L17-L203 HydrophobicContact CD2-CD2 4.15Å; L17-L243 HydrophobicContact CD1-CD2 4.19Å; L17-L243 HydrophobicContact CD1-CG 4.33Å; L17-L243 HydrophobicContact CD2-CD2 4.44Å; L17-Y244 HydrophobicContact CB-CD2 3.62Å; L17-Y244 HydrophobicContact CB-CG 4.07Å
18S92.7Very high84.4Confident33 Ų3355 Ų5523%0.23127%0.274CS..Hα-helixtrans-63.5-43.2176.3-170.50000112.5N15 M16 K22 Y244N15-S18 WeakPolarHBondContact O-CA 3.36Å; N15-S18 VanDerWaalsContact O-CB 3.24Å; N15-S18 WeakPolarHBondContact O-CB 3.24Å; N15-S18 PolarHBondContact O-N 3.1Å; M16-S18 VanDerWaalsContact C-N 3.26Å; M16-S18 PolarHBondContact O-N 2.89Å; S18-K22 WeakPolarHBondContact O-CG 3.4Å; S18-Y244 VanDerWaalsContact CB-CZ 3.47Å; S18-Y244 WeakPolarHBondContact CB-OH 3.42Å; S18-Y244 PolarHBondContact OG-OH 3.38Å
19I93Very high85.8Confident21 Ų2153.5 Ų53.511%0.10826%0.264CS..Hα-helixtrans-75.1-48.8-179.3-71.5179.3000110.8N15 M16 T21 K22 K26 F59 Y61N15-I19 PolarHBondContact O-N 3.16Å; N15-I19 VanDerWaalsContact OD1-CD1 3.29Å; N15-I19 WeakPolarHBondContact OD1-CD1 3.29Å; M16-I19 PolarHBondContact O-N 2.96Å; M16-I19 VanDerWaalsContact O-N 3.12Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.09Å; I19-K22 WeakPolarHBondContact O-CG 3.5Å; I19-K22 PolarHBondContact O-N 3.32Å; I19-K26 VanDerWaalsContact O-CG 3.27Å; I19-K26 WeakPolarHBondContact O-CG 3.26Å; I19-F59 WeakPolarHBondContact CD1-O 3.45Å; I19-Y61 HydrophobicContact CB-CD1 4.45Å; I19-Y61 HydrophobicContact CD1-CD1 4.25Å; I19-Y61 HydrophobicContact CG2-CD1 4.38Å
20C93.2Very high87.1Confident0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-70.7-23.8-173.2-59.30000112.7M16 K26 W27 C30M16-C20 HydrophobicContact CG-CB 4.49Å; M16-C20 VanDerWaalsContact CG-SG 3.51Å; M16-C20 WeakPolarHBondContact O-CB 3.04Å; M16-C20 PolarHBondContact O-N 2.97Å; M16-C20 PolarHBondContact O-SG 3.47Å; C20-K26 CarbonylContact O-C 3.4Å; C20-W27 HydrophobicContact CB-CE3 4.07Å; C20-W27 WeakPolarHBondContact O-CA 3.29Å; C20-W27 VanDerWaalsContact O-CB 3.32Å; C20-W27 WeakPolarHBondContact O-CB 3.32Å; C20-W27 PolarHBondContact O-N 2.92Å; C20-C30 VanDerWaalsContact CA-SG 3.53Å; C20-C30 HydrophobicContact CB-CB 3.56Å; C20-C30 WeakPolarHBondContact CB-SG 3.5Å; C20-C30 WeakPolarHBondContact SG-CB 3.33Å; C20-C30 CovalentContact SG-SG 2.02Å; C20-C30 PolarHBondContact SG-SG 3.43Å
21T95Very high88.3Confident4 Ų448 Ų483%0.02523%0.234CC..THydrogen-bonded Turntrans-94.76.1179.166.70000114.2L17 I19 S23 W237 A240 K241L17-T21 VanDerWaalsContact O-CB 3.23Å; L17-T21 WeakPolarHBondContact O-CB 3.27Å; L17-T21 WeakPolarHBondContact O-CG2 3.43Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 2.98Å; I19-T21 VanDerWaalsContact C-N 3.28Å; I19-T21 PolarHBondContact O-N 3.09Å; T21-S23 VanDerWaalsContact C-N 3.29Å; T21-S23 PolarHBondContact O-N 3.24Å; T21-W237 PolarHBondContact O-NE1 3.28Å; T21-A240 HydrophobicContact CG2-CB 3.84Å; T21-K241 HydrophobicContact CG2-CB 4.36Å
22K95.2Very high89.3Confident152 Ų15251.9 Ų51.966%0.66126%0.255SS*.SBendtrans-60.7-36.3175.6-71.6-178.7179.3176.80113.2S18 I19S18-K22 WeakPolarHBondContact O-CG 3.4Å; I19-K22 WeakPolarHBondContact O-CG 3.5Å; I19-K22 PolarHBondContact O-N 3.32Å
23S95Very high90.7Very high50 Ų5046.2 Ų46.235%0.3523%0.23SC..  trans-152.8160.4174.868.90000110.5T21 Q25 K26 W27 W237T21-S23 VanDerWaalsContact C-N 3.29Å; T21-S23 PolarHBondContact O-N 3.24Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 2.92Å; S23-K26 PolarHBondContact O-N 2.82Å; S23-K26 VanDerWaalsContact O-N 3.15Å; S23-K26 WeakPolarHBondContact OG-CB 3.22Å; S23-K26 PolarHBondContact OG-N 3.15Å; S23-W27 PolarHBondContact O-N 3.46Å; S23-W237 PolarHBondContact O-NE1 2.9Å
24E93.1Very high91.8Very high85 Ų8543.2 Ų43.240%0.39722%0.217SC..Hα-helixtrans-60.9-40.4176.9-178.4162.8-146.100112.6K26 W27 L28 S235 W237E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.82Å; E24-W27 WeakPolarHBondContact O-CB 3.45Å; E24-W27 PolarHBondContact O-N 3.29Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.39Å; E24-S235 VanDerWaalsContact CD-OG 3.23Å; E24-S235 WeakPolarHBondContact OE1-CB 3.39Å; E24-S235 PolarHBondContact OE1-OG 3.39Å; E24-W237 HydrophobicContact CB-CB 4.04Å; E24-W237 HydrophobicContact CB-CD2 3.99Å; E24-W237 HydrophobicContact CB-CE3 4.14Å; E24-W237 HydrophobicContact CB-CG 3.95Å; E24-W237 HydrophobicContact CG-CB 4Å; E24-W237 HydrophobicContact CG-CG 4.45Å
25Q94.5Very high91.9Very high137 Ų13747.8 Ų47.864%0.6424%0.241SC*.Hα-helixtrans-59.9-41.5174.3-174.6-178.55.900111.7S23 W27 L28 Q29S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 2.92Å; Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 3.22Å; Q25-L28 PolarHBondContact O-N 2.86Å; Q25-Q29 WeakPolarHBondContact O-CG 3.33Å; Q25-Q29 PolarHBondContact O-N 2.91Å; Q25-Q29 VanDerWaalsContact O-N 3.13Å
26K93.6Very high91.9Very high43 Ų4352.6 Ų52.619%0.18727%0.267CS..Hα-helixtrans-68.7-33.4179.2-16956.6174.7175.90111.8I19 C20 S23 E24 Q29 C30 F59I19-K26 VanDerWaalsContact O-CG 3.27Å; I19-K26 WeakPolarHBondContact O-CG 3.26Å; C20-K26 CarbonylContact O-C 3.4Å; S23-K26 PolarHBondContact O-N 2.82Å; S23-K26 VanDerWaalsContact O-N 3.15Å; S23-K26 WeakPolarHBondContact OG-CB 3.22Å; S23-K26 PolarHBondContact OG-N 3.15Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 2.82Å; K26-Q29 PolarHBondContact O-N 2.88Å; K26-C30 PolarHBondContact O-N 3.12Å; K26-C30 VanDerWaalsContact O-N 3.08Å; K26-C30 PolarHBondContact O-SG 2.82Å; K26-C30 VanDerWaalsContact O-SG 3.35Å; K26-F59 VanDerWaalsContact NZ-CG 3.26Å
27W93.6Very high91.4Very high3 Ų355 Ų551%0.01128%0.28CS..Hα-helixtrans-62.5-49.8174170.7-108.6000111.7M16 C20 S23 E24 Q25 Q29 C30 V31 L203 P204 W237 A240M16-W27 HydrophobicContact CE-CZ3 4.45Å; C20-W27 HydrophobicContact CB-CE3 4.07Å; C20-W27 WeakPolarHBondContact O-CA 3.29Å; C20-W27 VanDerWaalsContact O-CB 3.32Å; C20-W27 WeakPolarHBondContact O-CB 3.32Å; C20-W27 PolarHBondContact O-N 2.92Å; S23-W27 PolarHBondContact O-N 3.46Å; E24-W27 WeakPolarHBondContact O-CB 3.45Å; E24-W27 PolarHBondContact O-N 3.29Å; Q25-W27 VanDerWaalsContact C-N 3.31Å; Q25-W27 PolarHBondContact O-N 3.22Å; W27-Q29 VanDerWaalsContact C-N 3.32Å; W27-Q29 PolarHBondContact O-N 3.4Å; W27-C30 PolarHBondContact O-N 3.26Å; W27-C30 VanDerWaalsContact O-N 3.14Å; W27-V31 HydrophobicContact CD2-CG2 4Å; W27-V31 HydrophobicContact CE3-CG2 4.4Å; W27-V31 HydrophobicContact CH2-CG2 3.97Å; W27-V31 HydrophobicContact CZ2-CG2 3.53Å; W27-V31 HydrophobicContact CZ3-CG2 4.39Å; W27-V31 WeakPolarHBondContact O-CG2 3.49Å; W27-V31 PolarHBondContact O-N 2.93Å; W27-L203 HydrophobicContact CH2-CB 4.23Å; W27-L203 HydrophobicContact CH2-CD1 4.34Å; W27-L203 HydrophobicContact CH2-CD2 4.2Å; W27-L203 HydrophobicContact CH2-CG 4.49Å; W27-P204 HydrophobicContact CZ2-CB 4.31Å; W27-P204 HydrophobicContact CZ2-CG 4.15Å; W27-W237 HydrophobicContact CB-CB 4.15Å; W27-W237 HydrophobicContact CB-CG 4.24Å; W27-W237 HydrophobicContact CG-CB 4.09Å; W27-A240 HydrophobicContact CD2-CB 3.91Å; W27-A240 HydrophobicContact CE3-CB 3.73Å; W27-A240 HydrophobicContact CH2-CB 3.78Å; W27-A240 HydrophobicContact CZ2-CB 3.94Å; W27-A240 HydrophobicContact CZ3-CB 3.67Å
28L92.1Very high90.7Very high85 Ų8558.8 Ų58.845%0.44531%0.306SS..Hα-helixtrans-57.4-46.2177.5-65.6174.1000111.4E24 Q25 C30 V31 D32E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.39Å; Q25-L28 PolarHBondContact O-N 2.86Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 2.81Å; L28-V31 PolarHBondContact O-N 2.69Å; L28-V31 VanDerWaalsContact O-N 3.15Å; L28-D32 PolarHBondContact O-N 2.98Å
29Q92.5Very high90.1Very high76 Ų7659.5 Ų59.536%0.35531%0.309SS..Hα-helixtrans-57.2-41.6175.9-73.6176.2-13.300113.3Q25 K26 W27 Q33 F59Q25-Q29 WeakPolarHBondContact O-CG 3.33Å; Q25-Q29 PolarHBondContact O-N 2.91Å; Q25-Q29 VanDerWaalsContact O-N 3.13Å; K26-Q29 PolarHBondContact O-N 2.88Å; W27-Q29 VanDerWaalsContact C-N 3.32Å; W27-Q29 PolarHBondContact O-N 3.4Å; Q29-Q33 PolarHBondContact O-N 2.88Å; Q29-Q33 VanDerWaalsContact O-N 3.11Å; Q29-F59 HydrophobicContact CB-CE2 3.97Å; Q29-F59 HydrophobicContact CB-CZ 3.81Å
30C92.3Very high89.3Confident0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-70.6-36.2177.7-70.50000112.8M16 C20 K26 W27 L28 Q33 L34M16-C30 HydrophobicContact CE-CB 4.18Å; C20-C30 VanDerWaalsContact CA-SG 3.53Å; C20-C30 HydrophobicContact CB-CB 3.56Å; C20-C30 WeakPolarHBondContact CB-SG 3.5Å; C20-C30 WeakPolarHBondContact SG-CB 3.33Å; C20-C30 CovalentContact SG-SG 2.02Å; C20-C30 PolarHBondContact SG-SG 3.43Å; K26-C30 PolarHBondContact O-N 3.12Å; K26-C30 VanDerWaalsContact O-N 3.08Å; K26-C30 PolarHBondContact O-SG 2.82Å; K26-C30 VanDerWaalsContact O-SG 3.35Å; W27-C30 PolarHBondContact O-N 3.26Å; W27-C30 VanDerWaalsContact O-N 3.14Å; L28-C30 VanDerWaalsContact C-N 3.32Å; L28-C30 PolarHBondContact O-N 2.81Å; C30-Q33 PolarHBondContact O-N 2.02Å; C30-L34 WeakPolarHBondContact O-CG 2.94Å; C30-L34 PolarHBondContact O-N 3.09Å
31V90.4Very high88.6Confident6 Ų669.8 Ų69.84%0.03637%0.368CS..Hα-helixtrans-64.8-44.4176173.10000110.4W27 L28 Q33 L34 N35 P206W27-V31 HydrophobicContact CD2-CG2 4Å; W27-V31 HydrophobicContact CE3-CG2 4.4Å; W27-V31 HydrophobicContact CH2-CG2 3.97Å; W27-V31 HydrophobicContact CZ2-CG2 3.53Å; W27-V31 HydrophobicContact CZ3-CG2 4.39Å; W27-V31 WeakPolarHBondContact O-CG2 3.49Å; W27-V31 PolarHBondContact O-N 2.93Å; L28-V31 PolarHBondContact O-N 2.69Å; L28-V31 VanDerWaalsContact O-N 3.15Å; V31-Q33 VanDerWaalsContact C-N 3.28Å; V31-Q33 PolarHBondContact O-N 2.82Å; V31-L34 PolarHBondContact O-N 2.97Å; V31-L34 VanDerWaalsContact O-N 3.16Å; V31-N35 PolarHBondContact O-N 2.86Å; V31-N35 VanDerWaalsContact O-N 3.08Å; V31-N35 PolarHBondContact O-ND2 3.49Å; V31-P206 HydrophobicContact CG1-CG 3.77Å
32D90.5Very high88.2Confident108 Ų10872.5 Ų72.558%0.57838%0.379SS*.Hα-helixtrans-59-42.2175.4-66.7-21.8000111.2L28 N35 D36L28-D32 PolarHBondContact O-N 2.98Å; D32-N35 PolarHBondContact O-N 2.99Å; D32-D36 PolarHBondContact O-N 3.11Å
33Q89.3Confident87.7Confident29 Ų2966.1 Ų66.114%0.13635%0.352CS..Hα-helixtrans-63.8-39.2175.1174.9174.574.500113.4Q29 C30 V31 N35 D36 L37 F59 Y61Q29-Q33 PolarHBondContact O-N 2.88Å; Q29-Q33 VanDerWaalsContact O-N 3.11Å; C30-Q33 PolarHBondContact O-N 2.02Å; V31-Q33 VanDerWaalsContact C-N 3.28Å; V31-Q33 PolarHBondContact O-N 2.82Å; Q33-N35 VanDerWaalsContact C-N 3.28Å; Q33-N35 PolarHBondContact O-N 2.92Å; Q33-D36 CarbonylContact O-C 3.58Å; Q33-D36 PolarHBondContact O-N 2.73Å; Q33-L37 PolarHBondContact O-N 2.95Å; Q33-F59 HydrophobicContact CB-CE2 4.28Å; Q33-Y61 PolarHBondContact OE1-OH 3.38Å
34L88.7Confident87.2Confident21 Ų2167.7 Ų67.711%0.1135%0.351CS..Hα-helixtrans-66.5-32.8177.3-78.7-175.9000112.4M16 C30 V31 D36 L63 L203M16-L34 HydrophobicContact CE-CD1 3.29Å; M16-L34 HydrophobicContact CE-CD2 4.47Å; M16-L34 HydrophobicContact CE-CG 3.91Å; M16-L34 HydrophobicContact SD-CD1 3.95Å; M16-L34 HydrophobicContact SD-CD2 4.34Å; M16-L34 HydrophobicContact SD-CG 4.43Å; C30-L34 WeakPolarHBondContact O-CG 2.94Å; C30-L34 PolarHBondContact O-N 3.09Å; V31-L34 PolarHBondContact O-N 2.97Å; V31-L34 VanDerWaalsContact O-N 3.16Å; L34-D36 VanDerWaalsContact C-N 3.26Å; L34-D36 PolarHBondContact O-N 2.6Å; L34-L63 HydrophobicContact CD2-CD1 3.72Å; L34-L203 HydrophobicContact CD1-CD1 3.32Å
35N85Confident86.7Confident106 Ų10663.8 Ų63.857%0.56733%0.332SS*.Hα-helixtrans-71.2-22.1177.4-68.8-26.7000112.8V31 D32 Q33V31-N35 PolarHBondContact O-N 2.86Å; V31-N35 VanDerWaalsContact O-N 3.08Å; V31-N35 PolarHBondContact O-ND2 3.49Å; D32-N35 PolarHBondContact O-N 2.99Å; Q33-N35 VanDerWaalsContact C-N 3.28Å; Q33-N35 PolarHBondContact O-N 2.92Å
36D84.3Confident86.1Confident144 Ų14458.9 Ų58.977%0.7731%0.313SS*.THydrogen-bonded Turntrans-11935.6179-166.230.6000112D32 Q33 L34 S38D32-D36 PolarHBondContact O-N 3.11Å; Q33-D36 CarbonylContact O-C 3.58Å; Q33-D36 PolarHBondContact O-N 2.73Å; L34-D36 VanDerWaalsContact C-N 3.26Å; L34-D36 PolarHBondContact O-N 2.6Å; D36-S38 PolarHBondContact O-N 2.82Å; D36-S38 VanDerWaalsContact O-N 3.15Å
37L82.6Confident85.4Confident51 Ų5160.5 Ų60.527%0.26734%0.342SS..  trans-70.9111.9-174.2-169.573.6000111.4Q33 T39 L63 I143Q33-L37 PolarHBondContact O-N 2.95Å; L37-T39 HydrophobicContact CD2-CG2 4.16Å; L37-T39 HydrophobicContact CG-CG2 4.38Å; L37-L63 HydrophobicContact CD1-CD1 4.11Å; L37-L63 HydrophobicContact CD2-CD1 4.21Å; L37-I143 HydrophobicContact CD2-CD1 4.03Å; L37-I143 HydrophobicContact CD2-CG1 3.84Å; L37-I143 HydrophobicContact CD2-CG2 4.37Å
38S79.4Confident84.9Confident80 Ų8061.9 Ų61.956%0.55935%0.348SS*.  trans-85.8114.3168.9-174.90000111.4D36 T40D36-S38 PolarHBondContact O-N 2.82Å; D36-S38 VanDerWaalsContact O-N 3.15Å; S38-T40 VanDerWaalsContact C-N 3.3Å; S38-T40 PolarHBondContact O-N 3.2Å; S38-T40 PolarHBondContact OG-OG1 3.31Å
39T78.4Confident84Confident48 Ų4864.6 Ų64.629%0.29436%0.363SS..  trans-91.846.3178.552.60000112.6L37 F55 I143L37-T39 HydrophobicContact CD2-CG2 4.16Å; L37-T39 HydrophobicContact CG-CG2 4.38Å; T39-F55 HydrophobicContact CG2-CE1 4.25Å; T39-F55 HydrophobicContact CG2-CE2 4.37Å; T39-F55 HydrophobicContact CG2-CZ 4.11Å; T39-F55 WeakPolarHBondContact O-CE1 3.22Å; T39-I143 HydrophobicContact CG2-CD1 4.3Å
40T77.1Confident83.3Confident100 Ų10062 Ų6261%0.61336%0.356SS*.  trans-100.4-22.5-175.851.10000115.2S38S38-T40 VanDerWaalsContact C-N 3.3Å; S38-T40 PolarHBondContact O-N 3.2Å; S38-T40 PolarHBondContact OG-OG1 3.31Å
41N78.9Confident82.9Confident137 Ų13762.4 Ų62.473%0.73336%0.36SS*.SBendtrans-117.883.3-177.9-69-28.4000111.6F55N41-F55 WeakPolarHBondContact O-CD1 3.42Å
42Y85.6Confident82.9Confident62 Ų6262.1 Ų62.124%0.24336%0.358CS..EExtended strand (participates in β ladder)trans-120.1158.4176.854.3-78.2000114M1 R44 R53 L54 F55M1-Y42 HydrophobicContact CE-CE2 4.02Å; Y42-R44 HydrophobicContact CD2-CG 4.38Å; Y42-R44 HydrophobicContact CE2-CG 4.12Å; Y42-R53 HydrophobicContact CD2-CB 3.7Å; Y42-R53 HydrophobicContact CD2-CG 3.47Å; Y42-R53 VanDerWaalsContact CD2-CG 3.47Å; Y42-R53 HydrophobicContact CE2-CB 4.4Å; Y42-R53 VanDerWaalsContact CE2-CD 3.44Å; Y42-R53 HydrophobicContact CE2-CG 3.67Å; Y42-R53 HydrophobicContact CG-CB 3.93Å; Y42-R53 HydrophobicContact CG-CG 4.08Å; Y42-L54 VanDerWaalsContact CA-O 3.25Å; Y42-L54 WeakPolarHBondContact CA-O 3.36Å; Y42-L54 WeakPolarHBondContact CB-O 2.97Å; Y42-F55 VanDerWaalsContact CB-CZ 3.43Å; Y42-F55 HydrophobicContact CD1-CD1 4.26Å; Y42-F55 AromaticContact CD1-CE1 3.23Å; Y42-F55 HydrophobicContact CD1-CE1 3.23Å; Y42-F55 HydrophobicContact CD1-CE2 4.37Å; Y42-F55 AromaticContact CD1-CZ 3.3Å; Y42-F55 HydrophobicContact CD1-CZ 3.3Å; Y42-F55 HydrophobicContact CE1-CE1 4.31Å; Y42-F55 HydrophobicContact CE1-CZ 4.16Å; Y42-F55 HydrophobicContact CG-CD1 4.33Å; Y42-F55 AromaticContact CG-CE1 3.6Å; Y42-F55 HydrophobicContact CG-CE1 3.6Å; Y42-F55 HydrophobicContact CG-CE2 4.19Å; Y42-F55 AromaticContact CG-CZ 3.51Å; Y42-F55 HydrophobicContact CG-CZ 3.51Å
43V86Confident82.8Confident18 Ų1859.5 Ų59.511%0.10934%0.34CS..EExtended strand (participates in β ladder)trans-100.3140.7161.6-174.90000109E2 E4 R53 L54E2-V43 HydrophobicContact CB-CG1 4.45Å; E2-V43 WeakPolarHBondContact O-CG1 3.48Å; E4-V43 HydrophobicContact CB-CG1 3.75Å; E4-V43 HydrophobicContact CG-CG1 3.69Å; V43-R53 WeakPolarHBondContact O-CA 3.15Å; V43-L54 PolarHBondContact N-O 3.02Å; V43-L54 PolarHBondContact O-N 3.21Å
44R84Confident82.8Confident83 Ų8358.2 Ų58.231%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-81.8141.4170.4-87.7-177.1-167.4155.87109.5M1 E2 E3 E4 Y42M1-R44 HydrophobicContact CE-CB 3.98Å; M1-R44 HydrophobicContact CE-CG 3.36Å; M1-R44 VanDerWaalsContact CE-CZ 3.44Å; E2-R44 PolarHBondContact O-N 3.07Å; E3-R44 VanDerWaalsContact CA-O 3.3Å; E3-R44 WeakPolarHBondContact CA-O 3.5Å; E3-R44 HydrophobicContact CG-CB 4.32Å; E4-R44 PolarHBondContact N-O 3.2Å; Y42-R44 HydrophobicContact CD2-CG 4.38Å; Y42-R44 HydrophobicContact CE2-CG 4.12Å
45L83.2Confident82.6Confident2 Ų257.7 Ų57.71%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-93.2122.2177.6-65.6164.1000109.8E4 L6 F48 V52 L54 L64E4-L45 HydrophobicContact CB-CD2 4.13Å; E4-L45 CarbonylContact O-C 3.56Å; E4-L45 VanDerWaalsContact O-CA 3.3Å; E4-L45 WeakPolarHBondContact O-CA 3.34Å; L6-L45 HydrophobicContact CB-CD2 4.12Å; L6-L45 HydrophobicContact CD1-CD1 3.26Å; L6-L45 HydrophobicContact CD1-CD2 3.84Å; L6-L45 HydrophobicContact CD1-CG 4.08Å; L6-L45 HydrophobicContact CG-CD1 4.44Å; L45-F48 HydrophobicContact CB-CD2 3.91Å; L45-F48 HydrophobicContact CB-CE2 4.43Å; L45-V52 HydrophobicContact CB-CB 4.4Å; L45-V52 HydrophobicContact CD1-CB 4.23Å; L45-V52 HydrophobicContact CD1-CG1 3.52Å; L45-V52 PolarHBondContact N-O 3.38Å; L45-V52 VanDerWaalsContact N-O 3.09Å; L45-L54 HydrophobicContact CD1-CB 3.98Å; L45-L54 HydrophobicContact CD2-CB 4.24Å; L45-L54 HydrophobicContact CD2-CD2 4.45Å; L45-L54 HydrophobicContact CG-CB 4.19Å; L45-L64 HydrophobicContact CD1-CD2 3.39Å
46S80.1Confident82.6Confident35 Ų3557.4 Ų57.425%0.24533%0.326CS..EExtended strand (participates in β ladder)trans-62.6143.8-179.267.70000110.5E4 L5E4-S46 PolarHBondContact O-N 3.21Å; E4-S46 PolarHBondContact O-OG 3.29Å; L5-S46 WeakPolarHBondContact CA-OG 3.04Å
47G79.8Confident82.7Confident76 Ų7651 Ų5178%0.78429%0.292SS*.THydrogen-bonded Turntrans87.80.8-179.500000115.1
48F82.4Confident82.9Confident32 Ų3253.9 Ų53.914%0.1431%0.314CS..THydrogen-bonded Turntrans-117.921.2178.8-63-80.3000113.5L6 L45 G50 S51 V52 P154 T278 F279L6-F48 HydrophobicContact CB-CE2 4.09Å; L6-F48 HydrophobicContact CD2-CE2 4.49Å; L45-F48 HydrophobicContact CB-CD2 3.91Å; L45-F48 HydrophobicContact CB-CE2 4.43Å; F48-G50 PolarHBondContact O-N 3.17Å; F48-S51 VanDerWaalsContact O-CB 3.3Å; F48-S51 WeakPolarHBondContact O-CB 3.25Å; F48-S51 PolarHBondContact O-N 3.24Å; F48-S51 PolarHBondContact O-OG 3.35Å; F48-V52 HydrophobicContact CB-CB 3.92Å; F48-V52 HydrophobicContact CB-CG2 3.67Å; F48-V52 HydrophobicContact CD1-CG2 3.76Å; F48-V52 HydrophobicContact CD2-CB 4.34Å; F48-V52 HydrophobicContact CD2-CG2 4.35Å; F48-V52 HydrophobicContact CG-CB 4.04Å; F48-V52 HydrophobicContact CG-CG2 3.66Å; F48-P154 HydrophobicContact CZ-CB 3.97Å; F48-T278 HydrophobicContact CD1-CG2 3.76Å; F48-T278 HydrophobicContact CE1-CG2 4.15Å; F48-F279 HydrophobicContact CD1-CE1 4.37Å; F48-F279 AromaticContact CE1-CD1 3.62Å; F48-F279 HydrophobicContact CE1-CD1 3.62Å; F48-F279 AromaticContact CE1-CE1 3.52Å; F48-F279 HydrophobicContact CE1-CE1 3.52Å; F48-F279 HydrophobicContact CE1-CZ 4.47Å; F48-F279 AromaticContact CZ-CD1 3.93Å; F48-F279 HydrophobicContact CZ-CD1 3.93Å; F48-F279 AromaticContact CZ-CE1 3.61Å; F48-F279 HydrophobicContact CZ-CE1 3.61Å
49D74.7Confident83.2Confident142 Ų14252.7 Ų52.776%0.75930%0.298SS*.THydrogen-bonded Turntrans51.129.9177.4-54.9-33.1000114.2S51D49-S51 PolarHBondContact O-N 3.07Å
50G76.9Confident83.5Confident21 Ų2156.9 Ų56.922%0.21632%0.319CS..THydrogen-bonded Turntrans70.23.9-175.200000115.9F48 V52F48-G50 PolarHBondContact O-N 3.17Å; G50-V52 VanDerWaalsContact C-N 3.28Å; G50-V52 PolarHBondContact O-N 3.37Å
51S84Confident84Confident10 Ų1052.1 Ų52.17%0.0729%0.29CS..  trans-70.8-22.2175.466.90000112.9F48 D49 Q67F48-S51 VanDerWaalsContact O-CB 3.3Å; F48-S51 WeakPolarHBondContact O-CB 3.25Å; F48-S51 PolarHBondContact O-N 3.24Å; F48-S51 PolarHBondContact O-OG 3.35Å; D49-S51 PolarHBondContact O-N 3.07Å; S51-Q67 WeakPolarHBondContact CB-O 3.35Å; S51-Q67 WeakPolarHBondContact O-CA 3.45Å; S51-Q67 WeakPolarHBondContact O-CB 3.47Å; S51-Q67 PolarHBondContact O-N 2.66Å
52V89.6Confident84.4Confident0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-112.6126.2178.6-168.30000110.5L45 F48 G50 L64 T278 F279L45-V52 HydrophobicContact CB-CB 4.4Å; L45-V52 HydrophobicContact CD1-CB 4.23Å; L45-V52 HydrophobicContact CD1-CG1 3.52Å; L45-V52 PolarHBondContact N-O 3.38Å; L45-V52 VanDerWaalsContact N-O 3.09Å; F48-V52 HydrophobicContact CB-CB 3.92Å; F48-V52 HydrophobicContact CB-CG2 3.67Å; F48-V52 HydrophobicContact CD1-CG2 3.76Å; F48-V52 HydrophobicContact CD2-CB 4.34Å; F48-V52 HydrophobicContact CD2-CG2 4.35Å; F48-V52 HydrophobicContact CG-CB 4.04Å; F48-V52 HydrophobicContact CG-CG2 3.66Å; G50-V52 VanDerWaalsContact C-N 3.28Å; G50-V52 PolarHBondContact O-N 3.37Å; V52-L64 HydrophobicContact CG1-CD2 3.93Å; V52-T278 HydrophobicContact CG2-CG2 3.27Å; V52-F279 HydrophobicContact CG1-CZ 4.27Å; V52-F279 HydrophobicContact CG2-CZ 4.17Å
53R89Confident84.7Confident53 Ų5342.7 Ų42.720%0.224%0.244CC..EExtended strand (participates in β ladder)trans-118.6138.5177.6-58.2172.9-176.1178.94109.2Y42 V43 F55 L64 D65Y42-R53 HydrophobicContact CD2-CB 3.7Å; Y42-R53 HydrophobicContact CD2-CG 3.47Å; Y42-R53 VanDerWaalsContact CD2-CG 3.47Å; Y42-R53 HydrophobicContact CE2-CB 4.4Å; Y42-R53 VanDerWaalsContact CE2-CD 3.44Å; Y42-R53 HydrophobicContact CE2-CG 3.67Å; Y42-R53 HydrophobicContact CG-CB 3.93Å; Y42-R53 HydrophobicContact CG-CG 4.08Å; V43-R53 WeakPolarHBondContact O-CA 3.15Å; R53-F55 HydrophobicContact CB-CD2 4.21Å; R53-F55 HydrophobicContact CB-CE2 3.49Å; R53-F55 VanDerWaalsContact CB-CE2 3.49Å; R53-F55 HydrophobicContact CB-CZ 4.06Å; R53-F55 HydrophobicContact CG-CE2 4.5Å; R53-L64 WeakPolarHBondContact O-CA 3.39Å; R53-D65 HydrophobicContact CB-CB 4.27Å; R53-D65 PolarHBondContact N-O 2.02Å; R53-D65 PolarHBondContact O-N 2.6Å
54L88.5Confident85Confident2 Ų241.9 Ų41.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-108.4123.9173178.462.8000108.9Y42 V43 L45 L64Y42-L54 VanDerWaalsContact CA-O 3.25Å; Y42-L54 WeakPolarHBondContact CA-O 3.36Å; Y42-L54 WeakPolarHBondContact CB-O 2.97Å; V43-L54 PolarHBondContact N-O 3.02Å; V43-L54 PolarHBondContact O-N 3.21Å; L45-L54 HydrophobicContact CD1-CB 3.98Å; L45-L54 HydrophobicContact CD2-CB 4.24Å; L45-L54 HydrophobicContact CD2-CD2 4.45Å; L45-L54 HydrophobicContact CG-CB 4.19Å; L54-L64 HydrophobicContact CB-CD2 4.18Å; L54-L64 HydrophobicContact CD1-CD2 3.88Å
55F86Confident85.4Confident9 Ų937.9 Ų37.94%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-113.8134.1178.3-65-94.6000110.3T39 N41 Y42 R53 G62 L63 D65T39-F55 HydrophobicContact CG2-CE1 4.25Å; T39-F55 HydrophobicContact CG2-CE2 4.37Å; T39-F55 HydrophobicContact CG2-CZ 4.11Å; T39-F55 WeakPolarHBondContact O-CE1 3.22Å; N41-F55 WeakPolarHBondContact O-CD1 3.42Å; Y42-F55 VanDerWaalsContact CB-CZ 3.43Å; Y42-F55 HydrophobicContact CD1-CD1 4.26Å; Y42-F55 AromaticContact CD1-CE1 3.23Å; Y42-F55 HydrophobicContact CD1-CE1 3.23Å; Y42-F55 HydrophobicContact CD1-CE2 4.37Å; Y42-F55 AromaticContact CD1-CZ 3.3Å; Y42-F55 HydrophobicContact CD1-CZ 3.3Å; Y42-F55 HydrophobicContact CE1-CE1 4.31Å; Y42-F55 HydrophobicContact CE1-CZ 4.16Å; Y42-F55 HydrophobicContact CG-CD1 4.33Å; Y42-F55 AromaticContact CG-CE1 3.6Å; Y42-F55 HydrophobicContact CG-CE1 3.6Å; Y42-F55 HydrophobicContact CG-CE2 4.19Å; Y42-F55 AromaticContact CG-CZ 3.51Å; Y42-F55 HydrophobicContact CG-CZ 3.51Å; R53-F55 HydrophobicContact CB-CD2 4.21Å; R53-F55 HydrophobicContact CB-CE2 3.49Å; R53-F55 VanDerWaalsContact CB-CE2 3.49Å; R53-F55 HydrophobicContact CB-CZ 4.06Å; R53-F55 HydrophobicContact CG-CE2 4.5Å; F55-G62 CarbonylContact O-C 3.54Å; F55-G62 VanDerWaalsContact O-CA 3.26Å; F55-G62 WeakPolarHBondContact O-CA 3.19Å; F55-L63 PolarHBondContact N-O 3.32Å; F55-L63 PolarHBondContact O-N 3.04Å; F55-D65 HydrophobicContact CD2-CB 3.96Å; F55-D65 HydrophobicContact CE2-CB 3.49Å; F55-D65 VanDerWaalsContact CE2-CB 3.49Å
56H84.5Confident85.8Confident100 Ų10037.8 Ų37.846%0.46322%0.223SC..EExtended strand (participates in β ladder)trans-92.1132.1171.2-67.1-76.2000110.6
57T86.9Confident86Confident10 Ų1037.1 Ų37.16%0.06122%0.216CC..  trans-90.8156.8177.172.90000111.4F59 N60 Y61 L63T57-F59 PolarHBondContact O-N 3.06Å; T57-F59 PolarHBondContact OG1-N 3.13Å; T57-N60 PolarHBondContact O-N 2.98Å; T57-Y61 HydrophobicContact CG2-CD2 3.62Å; T57-Y61 HydrophobicContact CG2-CE2 3.28Å; T57-Y61 HydrophobicContact CG2-CG 4.4Å; T57-Y61 PolarHBondContact N-O 3.45Å; T57-Y61 VanDerWaalsContact OG1-CD1 3.27Å; T57-Y61 WeakPolarHBondContact OG1-CD1 3.47Å; T57-Y61 WeakPolarHBondContact OG1-CD2 3.25Å; T57-Y61 WeakPolarHBondContact OG1-CE1 3.22Å; T57-Y61 WeakPolarHBondContact OG1-CE2 3.34Å; T57-Y61 PolarHBondContact OG1-O 3.09Å; T57-L63 HydrophobicContact CG2-CD1 3.87Å; T57-L63 HydrophobicContact CG2-CG 4.15Å
58P85.2Confident86Confident111 Ų11133.9 Ų33.972%0.72118%0.181SC*.THydrogen-bonded Turntrans-52.2-14.7169.7-29.529.6000116.2
59F86Confident85.4Confident55 Ų5535.8 Ų35.824%0.24120%0.196CC..THydrogen-bonded Turntrans-97.716.1175.6-64.7-37.8000113.7I19 K26 Q29 Q33 T57 Y61I19-F59 WeakPolarHBondContact CD1-O 3.45Å; K26-F59 VanDerWaalsContact NZ-CG 3.26Å; Q29-F59 HydrophobicContact CB-CE2 3.97Å; Q29-F59 HydrophobicContact CB-CZ 3.81Å; Q33-F59 HydrophobicContact CB-CE2 4.28Å; T57-F59 PolarHBondContact O-N 3.06Å; T57-F59 PolarHBondContact OG1-N 3.13Å; F59-Y61 VanDerWaalsContact C-N 3.35Å; F59-Y61 HydrophobicContact CB-CD1 3.79Å; F59-Y61 HydrophobicContact CB-CE1 3.6Å; F59-Y61 HydrophobicContact CD2-CE1 4.11Å; F59-Y61 HydrophobicContact CG-CE1 4.39Å; F59-Y61 PolarHBondContact O-N 3.32Å
60N85.2Confident85.2Confident137 Ų13731.4 Ų31.473%0.73317%0.171SC*.SBendtrans61.137.2176.1-57.9-29000113.8T57T57-N60 PolarHBondContact O-N 2.98Å
61Y88.1Confident84.6Confident0 Ų034.2 Ų34.20%018%0.183CC..  trans-121.4154.2165.159.8-99.7000111.2N15 M16 I19 Q33 T57 F59 L63N15-Y61 WeakPolarHBondContact OD1-CB 3.45Å; M16-Y61 HydrophobicContact CB-CD1 4.47Å; M16-Y61 HydrophobicContact CB-CD2 3.57Å; M16-Y61 HydrophobicContact CB-CE1 4.49Å; M16-Y61 HydrophobicContact CB-CE2 3.61Å; M16-Y61 HydrophobicContact CB-CG 4.02Å; M16-Y61 HydrophobicContact CG-CD2 4.02Å; M16-Y61 HydrophobicContact CG-CE1 4.13Å; M16-Y61 HydrophobicContact CG-CE2 3.51Å; M16-Y61 HydrophobicContact SD-CE2 4.2Å; I19-Y61 HydrophobicContact CB-CD1 4.45Å; I19-Y61 HydrophobicContact CD1-CD1 4.25Å; I19-Y61 HydrophobicContact CG2-CD1 4.38Å; Q33-Y61 PolarHBondContact OE1-OH 3.38Å; T57-Y61 HydrophobicContact CG2-CD2 3.62Å; T57-Y61 HydrophobicContact CG2-CE2 3.28Å; T57-Y61 HydrophobicContact CG2-CG 4.4Å; T57-Y61 PolarHBondContact N-O 3.45Å; T57-Y61 VanDerWaalsContact OG1-CD1 3.27Å; T57-Y61 WeakPolarHBondContact OG1-CD1 3.47Å; T57-Y61 WeakPolarHBondContact OG1-CD2 3.25Å; T57-Y61 WeakPolarHBondContact OG1-CE1 3.22Å; T57-Y61 WeakPolarHBondContact OG1-CE2 3.34Å; T57-Y61 PolarHBondContact OG1-O 3.09Å; F59-Y61 VanDerWaalsContact C-N 3.35Å; F59-Y61 HydrophobicContact CB-CD1 3.79Å; F59-Y61 HydrophobicContact CB-CE1 3.6Å; F59-Y61 HydrophobicContact CD2-CE1 4.11Å; F59-Y61 HydrophobicContact CG-CE1 4.39Å; F59-Y61 PolarHBondContact O-N 3.32Å; Y61-L63 HydrophobicContact CD2-CD2 4.21Å; Y61-L63 HydrophobicContact CD2-CG 4.04Å; Y61-L63 HydrophobicContact CE2-CD1 3.95Å; Y61-L63 HydrophobicContact CE2-CD2 3.97Å; Y61-L63 HydrophobicContact CE2-CG 3.8Å
62G87.5Confident83.5Confident0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-89.4145.817300000112.2H13 F55H13-G62 PolarHBondContact O-N 2.98Å; F55-G62 CarbonylContact O-C 3.54Å; F55-G62 VanDerWaalsContact O-CA 3.26Å; F55-G62 WeakPolarHBondContact O-CA 3.19Å
63L91.6Very high82.2Confident1 Ų141 Ų411%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-124.4138.2165.2-67.8172.5000108.9M16 L34 L37 F55 T57 Y61 I143 V145M16-L63 HydrophobicContact CB-CD2 4.24Å; M16-L63 HydrophobicContact SD-CD2 4.06Å; L34-L63 HydrophobicContact CD2-CD1 3.72Å; L37-L63 HydrophobicContact CD1-CD1 4.11Å; L37-L63 HydrophobicContact CD2-CD1 4.21Å; F55-L63 PolarHBondContact N-O 3.32Å; F55-L63 PolarHBondContact O-N 3.04Å; T57-L63 HydrophobicContact CG2-CD1 3.87Å; T57-L63 HydrophobicContact CG2-CG 4.15Å; Y61-L63 HydrophobicContact CD2-CD2 4.21Å; Y61-L63 HydrophobicContact CD2-CG 4.04Å; Y61-L63 HydrophobicContact CE2-CD1 3.95Å; Y61-L63 HydrophobicContact CE2-CD2 3.97Å; Y61-L63 HydrophobicContact CE2-CG 3.8Å; L63-I143 HydrophobicContact CB-CG2 3.92Å; L63-I143 HydrophobicContact CD1-CG2 3.95Å; L63-I143 HydrophobicContact CD2-CG2 4.25Å; L63-I143 HydrophobicContact CG-CG2 4.27Å; L63-V145 HydrophobicContact CD2-CG2 4.34Å
64L91.8Very high80.8Confident0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-89.8138.2172.5-69.2177.6000109.8L6 M14 L45 V52 R53 L54 I143 V144 L147 F279L6-L64 HydrophobicContact CD1-CD2 4.1Å; M14-L64 HydrophobicContact CE-CB 3.98Å; M14-L64 HydrophobicContact CE-CD1 3.62Å; M14-L64 HydrophobicContact CE-CG 3.56Å; M14-L64 HydrophobicContact CG-CG 4.45Å; M14-L64 HydrophobicContact SD-CB 4.49Å; M14-L64 HydrophobicContact SD-CD1 3.32Å; M14-L64 WeakPolarHBondContact SD-CD1 3.14Å; M14-L64 HydrophobicContact SD-CD2 4.4Å; M14-L64 HydrophobicContact SD-CG 3.45Å; M14-L64 WeakPolarHBondContact SD-CG 3.45Å; L45-L64 HydrophobicContact CD1-CD2 3.39Å; V52-L64 HydrophobicContact CG1-CD2 3.93Å; R53-L64 WeakPolarHBondContact O-CA 3.39Å; L54-L64 HydrophobicContact CB-CD2 4.18Å; L54-L64 HydrophobicContact CD1-CD2 3.88Å; L64-I143 CarbonylContact O-C 3.51Å; L64-I143 VanDerWaalsContact O-CA 3.32Å; L64-I143 WeakPolarHBondContact O-CA 3.3Å; L64-V144 HydrophobicContact CB-CB 4.24Å; L64-V144 PolarHBondContact N-O 3.35Å; L64-V144 PolarHBondContact O-N 3.47Å; L64-L147 HydrophobicContact CD1-CD1 3.47Å; L64-L147 VanDerWaalsContact CD1-CD1 3.47Å; L64-L147 HydrophobicContact CD1-CG 4.18Å; L64-F279 HydrophobicContact CD1-CZ 4.28Å
65D91.7Very high79.4Confident0 Ų049.1 Ų49.10%027%0.268CS..EExtended strand (participates in β ladder)trans-115.6115.7169.5-178.28.8000108.3R53 F55 Q67 S141 I142 I143R53-D65 HydrophobicContact CB-CB 4.27Å; R53-D65 PolarHBondContact N-O 2.02Å; R53-D65 PolarHBondContact O-N 2.6Å; F55-D65 HydrophobicContact CD2-CB 3.96Å; F55-D65 HydrophobicContact CE2-CB 3.49Å; F55-D65 VanDerWaalsContact CE2-CB 3.49Å; D65-Q67 PolarHBondContact OD1-NE2 2.77Å; D65-Q67 PolarHBondContact OD2-NE2 3.12Å; D65-S141 VanDerWaalsContact CG-CB 3.5Å; D65-S141 WeakPolarHBondContact OD1-CA 3.26Å; D65-S141 WeakPolarHBondContact OD1-CB 3.47Å; D65-S141 PolarHBondContact OD1-OG 2.83Å; D65-S141 WeakPolarHBondContact OD2-CB 3.38Å; D65-S141 PolarHBondContact OD2-OG 2.94Å; D65-I142 PolarHBondContact OD1-N 2.91Å; D65-I143 HydrophobicContact CB-CD1 3.62Å
66I91.5Very high77.6Confident0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-93.2109.3175.1-51.3172.8000107.8I142 V144 R274 W275 T278 F279I66-I142 PolarHBondContact N-O 3.48Å; I66-V144 HydrophobicContact CD1-CG2 3.57Å; I66-V144 HydrophobicContact CG1-CG2 3.89Å; I66-R274 HydrophobicContact CB-CB 4.24Å; I66-R274 HydrophobicContact CD1-CB 4.49Å; I66-R274 HydrophobicContact CG2-CB 3.82Å; I66-R274 WeakPolarHBondContact O-CD 3.37Å; I66-R274 PolarHBondContact O-NH1 3.1Å; I66-W275 HydrophobicContact CD1-CB 4.31Å; I66-T278 HydrophobicContact CG2-CG2 4.25Å; I66-T278 WeakPolarHBondContact CG2-OG1 3.49Å; I66-F279 HydrophobicContact CD1-CD2 4.31Å; I66-F279 HydrophobicContact CD1-CE2 3.67Å; I66-F279 HydrophobicContact CG1-CE2 4.1Å
67Q85.5Confident75.9Confident20 Ų2057.8 Ų57.89%0.09331%0.313CS..  trans-93.6162.1174.9-61.3-73.3-60.600110.4S51 D65 S141S51-Q67 WeakPolarHBondContact CB-O 3.35Å; S51-Q67 WeakPolarHBondContact O-CA 3.45Å; S51-Q67 WeakPolarHBondContact O-CB 3.47Å; S51-Q67 PolarHBondContact O-N 2.66Å; D65-Q67 PolarHBondContact OD1-NE2 2.77Å; D65-Q67 PolarHBondContact OD2-NE2 3.12Å; Q67-S141 PolarHBondContact NE2-OG 3.35Å
68I79Confident73.6Confident9 Ų960.1 Ų60.15%0.04632%0.324CS..  trans-88.2129.4167.5-66.9173.6000107.3F70 S371 V372 A375I68-F70 HydrophobicContact CB-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD1 4.32Å; I68-F70 WeakPolarHBondContact O-CD1 3.27Å; I68-F70 PolarHBondContact O-N 3.25Å; I68-F70 VanDerWaalsContact O-N 3.13Å; I68-S371 VanDerWaalsContact CD1-O 3.31Å; I68-S371 WeakPolarHBondContact CD1-O 3.18Å; I68-V372 HydrophobicContact CG2-CG2 4.42Å; I68-A375 HydrophobicContact CD1-CB 3.24Å
69P69.9Low71.9Confident71 Ų7156.7 Ų56.746%0.46130%0.3SS..  trans-71.1110.6179.128.5-32.1000108.7I126P69-I126 WeakPolarHBondContact O-CG2 3.39Å
70F70Confident69.9Low51 Ų5158.9 Ų58.922%0.22431%0.314CS..  trans-143.9149.916962.6-94.4000110I68 I72 I126 L130 P136I68-F70 HydrophobicContact CB-CD1 4.37Å; I68-F70 HydrophobicContact CG2-CD1 4.32Å; I68-F70 WeakPolarHBondContact O-CD1 3.27Å; I68-F70 PolarHBondContact O-N 3.25Å; I68-F70 VanDerWaalsContact O-N 3.13Å; F70-I72 HydrophobicContact CD2-CG1 4.31Å; F70-I72 HydrophobicContact CE2-CD1 4.35Å; F70-I72 HydrophobicContact CE2-CG1 4.09Å; F70-I126 HydrophobicContact CB-CB 4.47Å; F70-I126 HydrophobicContact CB-CG1 4.05Å; F70-I126 HydrophobicContact CB-CG2 4.06Å; F70-L130 HydrophobicContact CB-CD1 3.92Å; F70-L130 HydrophobicContact CD2-CD1 3.53Å; F70-L130 HydrophobicContact CE2-CD1 4.17Å; F70-L130 HydrophobicContact CG-CD1 3.79Å; F70-P136 HydrophobicContact CD1-CG 4.25Å; F70-P136 HydrophobicContact CE1-CG 3.76Å; F70-P136 HydrophobicContact CZ-CG 3.97Å
71T64.3Low67.9Low79 Ų7957.4 Ų57.449%0.48530%0.304SS..  trans-98.4153172.754.50000109.9G129 L130T71-G129 CarbonylContact O-C 3.53Å; T71-G129 WeakPolarHBondContact O-CA 3.41Å; T71-G129 WeakPolarHBondContact OG1-CA 3.45Å; T71-G129 PolarHBondContact OG1-N 2.86Å; T71-L130 PolarHBondContact O-N 3.2Å
72I60.9Low65.9Low86 Ų8657.8 Ų57.844%0.44131%0.306SS..BIsolated β-bridgetrans-107.5124.5173-63.4172.1000107.3F70 L130 D132F70-I72 HydrophobicContact CD2-CG1 4.31Å; F70-I72 HydrophobicContact CE2-CD1 4.35Å; F70-I72 HydrophobicContact CE2-CG1 4.09Å; I72-L130 CarbonylContact C-O 3.52Å; I72-L130 WeakPolarHBondContact CA-O 3.36Å; I72-L130 WeakPolarHBondContact CG2-O 3.4Å; I72-D132 WeakPolarHBondContact CG2-OD1 3.14Å
73N62.8Low63.9Low68 Ų6859.6 Ų59.636%0.36432%0.315SS..  trans-99.5108.9169.3-174.7-7.6000109.1E75 L130N73-E75 VanDerWaalsContact C-N 3.26Å; N73-E75 PolarHBondContact O-N 2.93Å; N73-E75 WeakPolarHBondContact OD1-CB 3.37Å; N73-E75 WeakPolarHBondContact OD1-CG 3.4Å; N73-E75 PolarHBondContact OD1-N 3.15Å; N73-E75 VanDerWaalsContact OD1-N 3.07Å; N73-L130 PolarHBondContact N-O 3Å
74S58.8Low62Low86 Ų8660.1 Ų60.160%0.60132%0.318SS*.  trans-829.3-177.861.30000114.4N76S74-N76 PolarHBondContact O-N 3.18Å
75E60.1Low59.9Low139 Ų13969 Ų6965%0.6535%0.351SS*.SBendtrans-67.614.5178.5-72.1-173.4165.700114.2N73 H77N73-E75 VanDerWaalsContact C-N 3.26Å; N73-E75 PolarHBondContact O-N 2.93Å; N73-E75 WeakPolarHBondContact OD1-CB 3.37Å; N73-E75 WeakPolarHBondContact OD1-CG 3.4Å; N73-E75 PolarHBondContact OD1-N 3.15Å; N73-E75 VanDerWaalsContact OD1-N 3.07Å; E75-H77 PolarHBondContact O-CD2 3.4Å; E75-H77 PolarHBondContact O-N 3.3Å
76N47.4Very low57.8Low138 Ų13874.8 Ų74.874%0.73837%0.374SS*.  trans559.9170.6-81.1-18.8000116.4S74 M78S74-N76 PolarHBondContact O-N 3.18Å; N76-M78 PolarHBondContact O-N 3.27Å; N76-M78 VanDerWaalsContact O-N 3.14Å
77H48.7Very low55.9Low153 Ų15375.4 Ų75.471%0.70838%0.378SS*.  trans-75.3104.8165.8-68.9-59.8000108.1E75 N79E75-H77 PolarHBondContact O-CD2 3.4Å; E75-H77 PolarHBondContact O-N 3.3Å; H77-N79 PolarHBondContact O-N 2.86Å
78M40.4Very low54.2Low58 Ų5877.3 Ų77.329%0.28639%0.388SS..  trans-48.2113.7161.8-85-95.6-77.700107.8N76 D80 N83 D133N76-M78 PolarHBondContact O-N 3.27Å; N76-M78 VanDerWaalsContact O-N 3.14Å; M78-D80 VanDerWaalsContact C-N 3.27Å; M78-D80 PolarHBondContact O-N 3.14Å; M78-N83 WeakPolarHBondContact CE-ND2 2.88Å; M78-D133 HydrophobicContact SD-CB 3.71Å; M78-D133 VanDerWaalsContact SD-OD2 3.34Å
79N49.1Very low53Low40 Ų4078 Ų7821%0.21439%0.394CS..  trans-76.689.6170.3-169.5-14.6000107.9H77 M81 L82 V125H77-N79 PolarHBondContact O-N 2.86Å; N79-M81 PolarHBondContact O-N 2.96Å; N79-M81 WeakPolarHBondContact OD1-CB 3.3Å; N79-M81 VanDerWaalsContact OD1-CG 3.3Å; N79-M81 WeakPolarHBondContact OD1-CG 3.42Å; N79-M81 PolarHBondContact OD1-N 3.34Å; N79-L82 PolarHBondContact O-N 3.01Å; N79-V125 VanDerWaalsContact ND2-CG2 3.26Å; N79-V125 WeakPolarHBondContact ND2-CG2 3.42Å
80D44.3Very low52.2Low101 Ų10183.4 Ų83.454%0.5442%0.419SS..THydrogen-bonded Turntrans-59.2-12.9177.3-77.3-22.9000113M78 L82 N83M78-D80 VanDerWaalsContact C-N 3.27Å; M78-D80 PolarHBondContact O-N 3.14Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-N83 PolarHBondContact O-N 3.23Å; D80-N83 PolarHBondContact OD1-ND2 3.13Å; D80-N83 VanDerWaalsContact OD1-ND2 3.13Å
81M43.5Very low51.5Low106 Ų10684.3 Ų84.352%0.52243%0.432SS..THydrogen-bonded Turntrans-73.6-23.1173.5-52178.271.100113.5N79 E121N79-M81 PolarHBondContact O-N 2.96Å; N79-M81 WeakPolarHBondContact OD1-CB 3.3Å; N79-M81 VanDerWaalsContact OD1-CG 3.3Å; N79-M81 WeakPolarHBondContact OD1-CG 3.42Å; N79-M81 PolarHBondContact OD1-N 3.34Å; M81-E121 HydrophobicContact CB-CG 4.18Å; M81-E121 HydrophobicContact CE-CG 3.61Å; M81-E121 WeakPolarHBondContact CE-OE1 3.07Å; M81-E121 HydrophobicContact SD-CG 4.31Å
82L45.6Very low51Low8 Ų884.6 Ų84.64%0.04244%0.437CS..THydrogen-bonded Turntrans-90.7-11.2170.7-64.1-177.9000112.6N79 D80 F117 A122 V125 L130 A134N79-L82 PolarHBondContact O-N 3.01Å; D80-L82 VanDerWaalsContact C-N 3.33Å; L82-F117 HydrophobicContact CD2-CD2 3.86Å; L82-F117 HydrophobicContact CD2-CE2 4.48Å; L82-F117 HydrophobicContact CD2-CG 4.29Å; L82-F117 VanDerWaalsContact O-CB 3.29Å; L82-F117 WeakPolarHBondContact O-CB 3.02Å; L82-A122 HydrophobicContact CD2-CB 3.53Å; L82-V125 HydrophobicContact CD1-CB 4.09Å; L82-V125 HydrophobicContact CD1-CG1 3.75Å; L82-V125 HydrophobicContact CD1-CG2 4.31Å; L82-V125 HydrophobicContact CD2-CB 4.48Å; L82-V125 HydrophobicContact CD2-CG2 4.29Å; L82-V125 HydrophobicContact CG-CG2 4.29Å; L82-L130 HydrophobicContact CD1-CD2 3.35Å; L82-A134 HydrophobicContact CB-CB 4.46Å; L82-A134 HydrophobicContact CD1-CB 3.66Å
83N44.6Very low50.4Low37 Ų3785.1 Ų85.120%0.19844%0.44CS..SBendtrans-87.7149.9175.8-66.1-34.9000110.5M78 D80M78-N83 WeakPolarHBondContact CE-ND2 2.88Å; D80-N83 PolarHBondContact O-N 3.23Å; D80-N83 PolarHBondContact OD1-ND2 3.13Å; D80-N83 VanDerWaalsContact OD1-ND2 3.13Å
84E51.9Low50Low12 Ų1284.5 Ų84.56%0.05645%0.445CS..  trans-58.4149.7-165-55.5-179.9125.700114.5Y86 M97 H112 Y116E84-Y86 VanDerWaalsContact C-N 3.34Å; E84-Y86 WeakPolarHBondContact CB-O 3.18Å; E84-M97 HydrophobicContact CB-CE 3.9Å; E84-M97 WeakPolarHBondContact O-CB 3.27Å; E84-H112 VanDerWaalsContact OE1-CB 3.29Å; E84-H112 WeakPolarHBondContact OE1-CB 3.2Å; E84-H112 IonicContact OE1-CG 3.75Å; E84-H112 PolarHBondContact OE1-N 3.13Å; E84-H112 IonicContact OE1-ND1 3.1Å; E84-H112 PolarHBondContact OE2-N 3.11Å; E84-Y116 WeakPolarHBondContact CA-O 3.17Å
85R47.7Very low49.7Very low186 Ų18683.7 Ų83.770%0.70243%0.433SS*.SBendtrans-78.5-16.1159.3-73.2-172.2-172.3170.33.5113.1A96 M97R85-A96 CarbonylContact O-C 3.57Å; R85-A96 WeakPolarHBondContact O-CA 3.33Å; R85-M97 PolarHBondContact O-N 2.89Å
86Y48.3Very low49.4Very low123 Ų12377.9 Ų77.948%0.48241%0.408SS..EExtended strand (participates in β ladder)trans-145.5145.8-174.1-59.5-90.5000114.3E84 A94 I95 A96E84-Y86 VanDerWaalsContact C-N 3.34Å; E84-Y86 WeakPolarHBondContact CB-O 3.18Å; Y86-A94 HydrophobicContact CD1-CB 4.41Å; Y86-I95 CarbonylContact C-O 3.37Å; Y86-I95 WeakPolarHBondContact CA-O 3.31Å; Y86-I95 WeakPolarHBondContact CB-O 3.38Å; Y86-A96 HydrophobicContact CD1-CB 4.05Å; Y86-A96 HydrophobicContact CE1-CB 3.86Å
87V52Low49.8Very low13 Ų1373 Ų738%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-120.8143.6177.1-1790000109.5S89 I95 M97 V100 N110V87-S89 PolarHBondContact O-N 2.78Å; V87-I95 PolarHBondContact N-O 2.81Å; V87-I95 PolarHBondContact O-N 3.01Å; V87-M97 HydrophobicContact CG2-CE 3.28Å; V87-M97 HydrophobicContact CG2-SD 3.54Å; V87-M97 VanDerWaalsContact CG2-SD 3.54Å; V87-V100 HydrophobicContact CB-CG2 4.38Å; V87-V100 HydrophobicContact CG2-CG2 4.27Å; V87-N110 HydrophobicContact CG1-CB 4.09Å
88L48.9Very low50.1Low59 Ų5970.5 Ų70.531%0.30938%0.381SS..EExtended strand (participates in β ladder)trans-69.9129.4170.6-80175.7000111.3P347L88-P347 HydrophobicContact CD1-CB 3.74Å; L88-P347 HydrophobicContact CD1-CG 3.92Å; L88-P347 HydrophobicContact CD2-CB 4.28Å
89S53.2Low51Low24 Ų2473.2 Ų73.217%0.16840%0.397CS..  trans-79.7169.4167.679.10000111.2V87 S91 S92 D93 I95V87-S89 PolarHBondContact O-N 2.78Å; S89-S91 PolarHBondContact O-N 2.82Å; S89-S91 PolarHBondContact OG-N 3.4Å; S89-S91 PolarHBondContact OG-OG 2.81Å; S89-S92 PolarHBondContact O-N 3.27Å; S89-D93 PolarHBondContact N-O 3.27Å; S89-D93 PolarHBondContact OG-N 2.94Å; S89-D93 PolarHBondContact OG-O 3.06Å; S89-I95 VanDerWaalsContact CB-CD1 3.41Å
90N55Low51.5Low184 Ų18473.2 Ų73.298%0.98440%0.398SS*.THydrogen-bonded Turntrans-60.5-10.3169.2-69.1-8.2000113.8
91S54.4Low52.1Low71 Ų7176.7 Ų76.750%0.49742%0.417SS..THydrogen-bonded Turntrans-98.78.1179.559.20000114.3S89 D93S89-S91 PolarHBondContact O-N 2.82Å; S89-S91 PolarHBondContact OG-N 3.4Å; S89-S91 PolarHBondContact OG-OG 2.81Å; S91-D93 WeakPolarHBondContact CB-OD2 3.44Å; S91-D93 PolarHBondContact O-N 2.96Å; S91-D93 PolarHBondContact OG-OD2 2.8Å
92S54.5Low52.4Low84 Ų8472.9 Ų72.959%0.58740%0.401SS*.SBendtrans69.75.8-171-31.70000114.2S89S89-S92 PolarHBondContact O-N 3.27Å
93D48.5Very low52.8Low97 Ų9775.6 Ų75.652%0.51942%0.42SS..  trans-86.4144.8177.2-62.2-51.1000110.6S89 S91S89-D93 PolarHBondContact N-O 3.27Å; S89-D93 PolarHBondContact OG-N 2.94Å; S89-D93 PolarHBondContact OG-O 3.06Å; S91-D93 WeakPolarHBondContact CB-OD2 3.44Å; S91-D93 PolarHBondContact O-N 2.96Å; S91-D93 PolarHBondContact OG-OD2 2.8Å
94A53.4Low53.1Low55 Ų5577.3 Ų77.346%0.45543%0.432SS..EExtended strand (participates in β ladder)trans-83.9120.9171.300000110Y86Y86-A94 HydrophobicContact CD1-CB 4.41Å
95I52.2Low53Low70 Ų7083.3 Ų83.336%0.35946%0.46SS..EExtended strand (participates in β ladder)trans-105.3142.5175.2-60.2174.3000108.8Y86 V87 S89 M97 D99 V100Y86-I95 CarbonylContact C-O 3.37Å; Y86-I95 WeakPolarHBondContact CA-O 3.31Å; Y86-I95 WeakPolarHBondContact CB-O 3.38Å; V87-I95 PolarHBondContact N-O 2.81Å; V87-I95 PolarHBondContact O-N 3.01Å; S89-I95 VanDerWaalsContact CB-CD1 3.41Å; I95-M97 PolarHBondContact O-N 2.88Å; I95-D99 HydrophobicContact CG2-CB 3.83Å; I95-V100 HydrophobicContact CG2-CG2 4.44Å
96A54.4Low53.1Low16 Ų1676.7 Ų76.713%0.13244%0.441CS..EExtended strand (participates in β ladder)trans-63.8138.4178.500000111.4R85 Y86 S98 D99R85-A96 CarbonylContact O-C 3.57Å; R85-A96 WeakPolarHBondContact O-CA 3.33Å; Y86-A96 HydrophobicContact CD1-CB 4.05Å; Y86-A96 HydrophobicContact CE1-CB 3.86Å; A96-S98 WeakPolarHBondContact CB-OG 3.37Å; A96-S98 PolarHBondContact O-N 2.76Å; A96-S98 VanDerWaalsContact O-N 3.16Å; A96-D99 WeakPolarHBondContact O-CA 3.19Å; A96-D99 WeakPolarHBondContact O-CB 3.49Å; A96-D99 PolarHBondContact O-N 2.96Å
97M54.5Low53.2Low36 Ų3675.1 Ų75.118%0.17743%0.434CS..G310 helixtrans-58.2-30.3178.3-176.668.475.600111.5E84 R85 V87 I95 D99 V100 R107E84-M97 HydrophobicContact CB-CE 3.9Å; E84-M97 WeakPolarHBondContact O-CB 3.27Å; R85-M97 PolarHBondContact O-N 2.89Å; V87-M97 HydrophobicContact CG2-CE 3.28Å; V87-M97 HydrophobicContact CG2-SD 3.54Å; V87-M97 VanDerWaalsContact CG2-SD 3.54Å; I95-M97 PolarHBondContact O-N 2.88Å; M97-D99 PolarHBondContact O-N 3.35Å; M97-V100 PolarHBondContact O-N 3.49Å; M97-R107 HydrophobicContact SD-CG 4.43Å
98S56.8Low53.1Low100 Ų10080.1 Ų80.170%0.69945%0.454SS*.G310 helixtrans-58.7-25.917254.10000113.7A96A96-S98 WeakPolarHBondContact CB-OG 3.37Å; A96-S98 PolarHBondContact O-N 2.76Å; A96-S98 VanDerWaalsContact O-N 3.16Å
99D57.9Low53.1Low115 Ų11586.6 Ų86.662%0.61548%0.475SS*.G310 helixtrans-93.5-3.1-174.2-52.3-16.7000111.4I95 A96 M97I95-D99 HydrophobicContact CG2-CB 3.83Å; A96-D99 WeakPolarHBondContact O-CA 3.19Å; A96-D99 WeakPolarHBondContact O-CB 3.49Å; A96-D99 PolarHBondContact O-N 2.96Å; M97-D99 PolarHBondContact O-N 3.35Å
100V59.1Low52.6Low40 Ų4089.8 Ų89.824%0.24249%0.49CS..  trans-9997.6-179.4-172.30000110.5V87 I95 M97 S102V87-V100 HydrophobicContact CB-CG2 4.38Å; V87-V100 HydrophobicContact CG2-CG2 4.27Å; I95-V100 HydrophobicContact CG2-CG2 4.44Å; M97-V100 PolarHBondContact O-N 3.49Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 WeakPolarHBondContact CG1-OG 3.36Å; V100-S102 PolarHBondContact O-N 3.21Å
101N57.1Low52.2Low174 Ų17483.2 Ų83.293%0.9346%0.457SS*.  trans-71.482165.3-86-15.5000110.3
102S51.4Low51.5Low27 Ų2780.7 Ų80.719%0.18944%0.437CS..  trans-140.6157.117776.40000114.2V100 R107V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 WeakPolarHBondContact CG1-OG 3.36Å; V100-S102 PolarHBondContact O-N 3.21Å; S102-R107 PolarHBondContact O-NE 2.7Å; S102-R107 PolarHBondContact O-NH2 2.73Å; S102-R107 WeakPolarHBondContact OG-CG 3.32Å
103S53.5Low51.1Low64 Ų6480.2 Ų80.245%0.44843%0.425SS..  trans-70.2157.5177.7670000112.5E105 T106 R107S103-E105 PolarHBondContact O-N 2.67Å; S103-T106 WeakPolarHBondContact O-CA 3.23Å; S103-T106 WeakPolarHBondContact O-CB 3.1Å; S103-T106 PolarHBondContact O-N 3.43Å; S103-T106 PolarHBondContact OG-N 2.81Å; S103-T106 PolarHBondContact OG-OG1 3.31Å; S103-R107 WeakPolarHBondContact O-CG 3.44Å; S103-R107 PolarHBondContact O-N 2.82Å
104V50.7Low51Low74 Ų7475.9 Ų75.945%0.44840%0.402SS..Hα-helixtrans-52.7-39.7178.6177.50000112.4R107 K108V104-R107 PolarHBondContact O-N 3.18Å; V104-K108 HydrophobicContact CG1-CD 4.46Å; V104-K108 WeakPolarHBondContact O-CB 3.2Å; V104-K108 WeakPolarHBondContact O-CG 3.3Å; V104-K108 PolarHBondContact O-N 3.13Å
105E49.9Very low50.8Low137 Ų13775 Ų7564%0.6439%0.388SS*.Hα-helixtrans-67.2-34.1176-73.1178.3144.300113.9S103 K108 R109S103-E105 PolarHBondContact O-N 2.67Å; E105-K108 PolarHBondContact O-N 3.16Å; E105-R109 PolarHBondContact O-N 3.36Å; E105-R109 VanDerWaalsContact O-N 3.13Å
106T49Very low50.3Low48 Ų4876.4 Ų76.429%0.29439%0.389SS..Hα-helixtrans-72.7-39.7175.8-49.30000109.9S103 K108 R109 N110S103-T106 WeakPolarHBondContact O-CA 3.23Å; S103-T106 WeakPolarHBondContact O-CB 3.1Å; S103-T106 PolarHBondContact O-N 3.43Å; S103-T106 PolarHBondContact OG-N 2.81Å; S103-T106 PolarHBondContact OG-OG1 3.31Å; T106-K108 VanDerWaalsContact C-N 3.35Å; T106-R109 PolarHBondContact O-N 2.76Å; T106-N110 PolarHBondContact O-N 3.07Å; T106-N110 VanDerWaalsContact O-N 3.15Å
107R50.2Low50.3Low89 Ų8976.4 Ų76.434%0.33639%0.387SS..Hα-helixtrans-58.8-46.2170.6-62.9178.7-160.2-175-0.5110.3M97 S102 S103 V104 R109 N110 V111M97-R107 HydrophobicContact SD-CG 4.43Å; S102-R107 PolarHBondContact O-NE 2.7Å; S102-R107 PolarHBondContact O-NH2 2.73Å; S102-R107 WeakPolarHBondContact OG-CG 3.32Å; S103-R107 WeakPolarHBondContact O-CG 3.44Å; S103-R107 PolarHBondContact O-N 2.82Å; V104-R107 PolarHBondContact O-N 3.18Å; R107-R109 PolarHBondContact O-N 3.48Å; R107-N110 CarbonylContact O-C 3.37Å; R107-N110 PolarHBondContact O-N 3.05Å; R107-V111 WeakPolarHBondContact O-CG2 3.33Å; R107-V111 PolarHBondContact O-N 2.86Å
108K50.6Low50.3Low118 Ų11878.4 Ų78.451%0.51340%0.398SS..Hα-helixtrans-57.1-38.8175.9-78.7-176.4178.2-163.70114V104 E105 T106 D133V104-K108 HydrophobicContact CG1-CD 4.46Å; V104-K108 WeakPolarHBondContact O-CB 3.2Å; V104-K108 WeakPolarHBondContact O-CG 3.3Å; V104-K108 PolarHBondContact O-N 3.13Å; E105-K108 PolarHBondContact O-N 3.16Å; T106-K108 VanDerWaalsContact C-N 3.35Å; K108-D133 VanDerWaalsContact CE-OD1 3.24Å; K108-D133 WeakPolarHBondContact CE-OD1 3.23Å; K108-D133 IonicContact NZ-OD1 2.84Å; K108-D133 PolarHBondContact NZ-OD1 3.44Å; K108-D133 IonicContact NZ-OD2 3.74Å
109R48.2Very low50.5Low196 Ų19673.7 Ų73.774%0.7437%0.365SS*.Hα-helixtrans-77-27.2179.4-94.4-175.7-75.8178.8-6.1114.2E105 T106 R107E105-R109 PolarHBondContact O-N 3.36Å; E105-R109 VanDerWaalsContact O-N 3.13Å; T106-R109 PolarHBondContact O-N 2.76Å; R107-R109 PolarHBondContact O-N 3.48Å
110N43.7Very low50.6Low90 Ų9072.5 Ų72.548%0.48136%0.362SS..SBendtrans-107.913.6-177.5-62.4-16000112.4V87 T106 R107 H112V87-N110 HydrophobicContact CG1-CB 4.09Å; T106-N110 PolarHBondContact O-N 3.07Å; T106-N110 VanDerWaalsContact O-N 3.15Å; R107-N110 CarbonylContact O-C 3.37Å; R107-N110 PolarHBondContact O-N 3.05Å; N110-H112 PolarHBondContact O-N 2.93Å
111V45.5Very low50.5Low47 Ų4772.9 Ų72.929%0.28536%0.361SS..  trans-63.4123.9177-174.60000108.4R107 K115R107-V111 WeakPolarHBondContact O-CG2 3.33Å; R107-V111 PolarHBondContact O-N 2.86Å; V111-K115 HydrophobicContact CG1-CG 4.16Å
112H39.6Very low50.6Low17 Ų1764.6 Ų64.68%0.07932%0.317CS..  trans-80.6151.8-179.6164.4-75.2000110.6E84 N110 P114 P347 W348E84-H112 VanDerWaalsContact OE1-CB 3.29Å; E84-H112 WeakPolarHBondContact OE1-CB 3.2Å; E84-H112 IonicContact OE1-CG 3.75Å; E84-H112 PolarHBondContact OE1-N 3.13Å; E84-H112 IonicContact OE1-ND1 3.1Å; E84-H112 PolarHBondContact OE2-N 3.11Å; N110-H112 PolarHBondContact O-N 2.93Å; H112-P114 PolarHBondContact CE1-O 3.19Å; H112-P114 PolarHBondContact ND1-O 3.01Å; H112-P347 WeakPolarHBondContact NE2-CG 3.5Å; H112-W348 AromaticContact CE1-CH2 3.03Å; H112-W348 WeakPolarHBondContact CE1-CH2 3.19Å; H112-W348 AromaticContact CE1-CZ2 3.29Å; H112-W348 WeakPolarHBondContact CE1-CZ2 3.34Å; H112-W348 AromaticContact CE1-CZ3 3.76Å; H112-W348 AromaticContact NE2-CH2 3.47Å; H112-W348 WeakPolarHBondContact NE2-CH2 3.42Å; H112-W348 AromaticContact NE2-CZ2 3.54Å; H112-W348 AromaticContact NE2-CZ3 3.86Å
113H47.6Very low51.2Low75 Ų7565.3 Ų65.335%0.34732%0.318SS..SBendtrans-128.9126176.9-77.7-101.6000109.1Q378H113-Q378 HydrophobicContact CB-CB 3.88Å; H113-Q378 HydrophobicContact CB-CG 3.86Å; H113-Q378 PolarHBondContact ND1-OE1 3.31Å
114P45.2Very low51.5Low5 Ų566.5 Ų66.53%0.03232%0.316CS..SBendcis-74.4135.21.228.3-33.8000114.4H112 Y116 W348 T377 Q378 I389H112-P114 PolarHBondContact CE1-O 3.19Å; H112-P114 PolarHBondContact ND1-O 3.01Å; P114-Y116 PolarHBondContact O-N 3.09Å; P114-W348 HydrophobicContact CG-CH2 3.82Å; P114-W348 HydrophobicContact CG-CZ3 3.92Å; P114-T377 HydrophobicContact CB-CG2 4.01Å; P114-Q378 HydrophobicContact CB-CB 3.83Å; P114-I389 HydrophobicContact CG-CG2 4.4Å
115K50.4Low51.7Low36 Ų3663 Ų6316%0.15730%0.296CS..  trans-55.4109.9175.4-68.7-176.7173.8-174.50111.2V111 F117 D133 R393V111-K115 HydrophobicContact CG1-CG 4.16Å; K115-F117 HydrophobicContact CB-CD1 4.18Å; K115-F117 HydrophobicContact CB-CE1 4.5Å; K115-F117 WeakPolarHBondContact O-CD1 3.18Å; K115-F117 PolarHBondContact O-N 3.38Å; K115-D133 PolarHBondContact NZ-O 3.39Å; K115-R393 PolarHBondContact O-NH1 2.91Å; K115-R393 PolarHBondContact O-NH2 3.18Å
116Y42.1Very low52.2Low100 Ų10057.6 Ų57.639%0.39227%0.271SS..  trans-77.6106.2174.7-107.3-88.1000110.9E84 P114 W348E84-Y116 WeakPolarHBondContact CA-O 3.17Å; P114-Y116 PolarHBondContact O-N 3.09Å; Y116-W348 HydrophobicContact CD2-CH2 4.24Å; Y116-W348 HydrophobicContact CD2-CZ2 4.05Å; Y116-W348 AromaticContact CE2-CH2 3.99Å; Y116-W348 HydrophobicContact CE2-CH2 3.99Å; Y116-W348 AromaticContact CE2-CZ2 3.83Å; Y116-W348 HydrophobicContact CE2-CZ2 3.83Å
117F54Low52.7Low17 Ų1762.3 Ų62.38%0.07529%0.29CS..  trans-131.5163.2170.561.7-91.5000110L82 K115 V119 A122 F376 R393L82-F117 HydrophobicContact CD2-CD2 3.86Å; L82-F117 HydrophobicContact CD2-CE2 4.48Å; L82-F117 HydrophobicContact CD2-CG 4.29Å; L82-F117 VanDerWaalsContact O-CB 3.29Å; L82-F117 WeakPolarHBondContact O-CB 3.02Å; K115-F117 HydrophobicContact CB-CD1 4.18Å; K115-F117 HydrophobicContact CB-CE1 4.5Å; K115-F117 WeakPolarHBondContact O-CD1 3.18Å; K115-F117 PolarHBondContact O-N 3.38Å; F117-V119 HydrophobicContact CD2-CG2 4.48Å; F117-V119 HydrophobicContact CE2-CB 4.3Å; F117-V119 HydrophobicContact CE2-CG2 3.83Å; F117-V119 HydrophobicContact CZ-CG2 4.25Å; F117-V119 PolarHBondContact O-N 3.07Å; F117-A122 HydrophobicContact CD2-CB 3.61Å; F117-A122 HydrophobicContact CE2-CB 3.17Å; F117-A122 HydrophobicContact CZ-CB 4.15Å; F117-F376 HydrophobicContact CE1-CB 3.43Å; F117-F376 VanDerWaalsContact CE1-CB 3.43Å; F117-F376 HydrophobicContact CE1-CD1 4.45Å; F117-F376 HydrophobicContact CE1-CG 4.2Å; F117-F376 HydrophobicContact CE2-CB 4.37Å; F117-F376 HydrophobicContact CZ-CB 3.19Å; F117-F376 HydrophobicContact CZ-CD1 4.26Å; F117-F376 HydrophobicContact CZ-CD2 4.37Å; F117-F376 AromaticContact CZ-CG 3.75Å; F117-F376 HydrophobicContact CZ-CG 3.75Å; F117-R393 VanDerWaalsContact CD1-NH2 3.27Å
118N54.6Low53Low78 Ų7862.4 Ų62.442%0.41730%0.3SS..  trans-67.4107175.6-179.6-3.5000109.2T120 E121 A122N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 2.74Å; N118-T120 VanDerWaalsContact OD1-CB 3.31Å; N118-T120 WeakPolarHBondContact OD1-CB 3.17Å; N118-T120 PolarHBondContact OD1-N 2.8Å; N118-E121 HydrophobicContact CB-CB 3.82Å; N118-E121 CarbonylContact O-C 3.57Å; N118-E121 WeakPolarHBondContact O-CA 3.4Å; N118-E121 WeakPolarHBondContact O-CB 3.38Å; N118-E121 PolarHBondContact O-N 2.73Å; N118-E121 PolarHBondContact OD1-N 3.36Å; N118-A122 PolarHBondContact O-N 2.9Å
119V59.5Low53.4Low1 Ų157.3 Ų57.31%0.00628%0.28CS..Hα-helixtrans-65.9-32.6-177.7-176.30000112.1F117 E121 A122 L123 A373 R393 L394F117-V119 HydrophobicContact CD2-CG2 4.48Å; F117-V119 HydrophobicContact CE2-CB 4.3Å; F117-V119 HydrophobicContact CE2-CG2 3.83Å; F117-V119 HydrophobicContact CZ-CG2 4.25Å; F117-V119 PolarHBondContact O-N 3.07Å; V119-E121 PolarHBondContact O-N 3.04Å; V119-A122 CarbonylContact O-C 3.44Å; V119-A122 PolarHBondContact O-N 3.31Å; V119-A122 VanDerWaalsContact O-N 3.09Å; V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CG 3.22Å; V119-L123 PolarHBondContact O-N 2.69Å; V119-A373 HydrophobicContact CG1-CB 3.81Å; V119-R393 HydrophobicContact CG2-CB 3.69Å; V119-R393 WeakPolarHBondContact CG2-O 3.44Å; V119-L394 HydrophobicContact CB-CD2 3.93Å; V119-L394 HydrophobicContact CG1-CD2 3.32Å; V119-L394 HydrophobicContact CG1-CG 4.18Å
120T61.8Low54.1Low90 Ų9048 Ų4855%0.55225%0.245SC*.Hα-helixtrans-59.1-38.8171.9-49.70000111N118 H124N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 2.74Å; N118-T120 VanDerWaalsContact OD1-CB 3.31Å; N118-T120 WeakPolarHBondContact OD1-CB 3.17Å; N118-T120 PolarHBondContact OD1-N 2.8Å; T120-H124 PolarHBondContact O-N 3.02Å; T120-H124 VanDerWaalsContact O-N 3.14Å
121E56.8Low54.9Low47 Ų4744.3 Ų44.322%0.2223%0.226CC..Hα-helixtrans-70.3-39.7174.2-160.767.2-156.700111.2M81 N118 V119 L123 H124 V125M81-E121 HydrophobicContact CB-CG 4.18Å; M81-E121 HydrophobicContact CE-CG 3.61Å; M81-E121 WeakPolarHBondContact CE-OE1 3.07Å; M81-E121 HydrophobicContact SD-CG 4.31Å; N118-E121 HydrophobicContact CB-CB 3.82Å; N118-E121 CarbonylContact O-C 3.57Å; N118-E121 WeakPolarHBondContact O-CA 3.4Å; N118-E121 WeakPolarHBondContact O-CB 3.38Å; N118-E121 PolarHBondContact O-N 2.73Å; N118-E121 PolarHBondContact OD1-N 3.36Å; V119-E121 PolarHBondContact O-N 3.04Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.43Å; E121-H124 CarbonylContact O-C 3.56Å; E121-H124 WeakPolarHBondContact O-CA 3.47Å; E121-H124 WeakPolarHBondContact O-CB 3.37Å; E121-H124 PolarHBondContact O-N 3.14Å; E121-H124 IonicContact OE1-CD2 3.81Å; E121-V125 HydrophobicContact CG-CG2 4.2Å; E121-V125 VanDerWaalsContact O-CG2 3.25Å; E121-V125 WeakPolarHBondContact O-CG2 3.29Å; E121-V125 PolarHBondContact O-N 3.02Å
122A59.4Low55.6Low0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-65.2-34.717500000113.8L82 F117 N118 V119 H124 V125 I126L82-A122 HydrophobicContact CD2-CB 3.53Å; F117-A122 HydrophobicContact CD2-CB 3.61Å; F117-A122 HydrophobicContact CE2-CB 3.17Å; F117-A122 HydrophobicContact CZ-CB 4.15Å; N118-A122 PolarHBondContact O-N 2.9Å; V119-A122 CarbonylContact O-C 3.44Å; V119-A122 PolarHBondContact O-N 3.31Å; V119-A122 VanDerWaalsContact O-N 3.09Å; A122-H124 PolarHBondContact O-N 3.46Å; A122-V125 PolarHBondContact O-N 2.87Å; A122-I126 WeakPolarHBondContact O-CB 3.43Å; A122-I126 VanDerWaalsContact O-CG1 3.22Å; A122-I126 WeakPolarHBondContact O-CG1 3.2Å; A122-I126 PolarHBondContact O-N 3.34Å
123L62.2Low56.5Low42 Ų4248.4 Ų48.422%0.2225%0.248CC..Hα-helixtrans-58.2-42.6169-69.5169.2000109.8V119 E121 D369 V372 L394V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CG 3.22Å; V119-L123 PolarHBondContact O-N 2.69Å; E121-L123 VanDerWaalsContact C-N 3.32Å; E121-L123 PolarHBondContact O-N 3.43Å; L123-D369 HydrophobicContact CD1-CB 4.38Å; L123-V372 HydrophobicContact CD2-CB 3.71Å; L123-V372 HydrophobicContact CD2-CG1 3.65Å; L123-V372 HydrophobicContact CD2-CG2 3.97Å; L123-L394 HydrophobicContact CD1-CD2 4.42Å
124H61.4Low57.2Low89 Ų8945.1 Ų45.141%0.41223%0.233SC..Hα-helixtrans-70.1-38.6175.2-169.250.5000113.4T120 E121 A122 I126 E127 V128T120-H124 PolarHBondContact O-N 3.02Å; T120-H124 VanDerWaalsContact O-N 3.14Å; E121-H124 CarbonylContact O-C 3.56Å; E121-H124 WeakPolarHBondContact O-CA 3.47Å; E121-H124 WeakPolarHBondContact O-CB 3.37Å; E121-H124 PolarHBondContact O-N 3.14Å; E121-H124 IonicContact OE1-CD2 3.81Å; A122-H124 PolarHBondContact O-N 3.46Å; H124-I126 VanDerWaalsContact C-N 3.31Å; H124-I126 PolarHBondContact O-N 2.85Å; H124-E127 IonicContact CE1-OE2 4Å; H124-E127 IonicContact ND1-OE2 2.75Å; H124-E127 PolarHBondContact ND1-OE2 3.13Å; H124-E127 WeakPolarHBondContact O-CA 3.44Å; H124-E127 VanDerWaalsContact O-CB 3.26Å; H124-E127 WeakPolarHBondContact O-CB 3.38Å; H124-E127 PolarHBondContact O-N 3.48Å; H124-V128 PolarHBondContact O-N 3.43Å
125V54.1Low58.3Low2 Ų250.1 Ų50.11%0.01226%0.257CS..Hα-helixtrans-69-30.8178.8-177.30000111.2N79 L82 E121 A122 E127 V128 G129 L130N79-V125 VanDerWaalsContact ND2-CG2 3.26Å; N79-V125 WeakPolarHBondContact ND2-CG2 3.42Å; L82-V125 HydrophobicContact CD1-CB 4.09Å; L82-V125 HydrophobicContact CD1-CG1 3.75Å; L82-V125 HydrophobicContact CD1-CG2 4.31Å; L82-V125 HydrophobicContact CD2-CB 4.48Å; L82-V125 HydrophobicContact CD2-CG2 4.29Å; L82-V125 HydrophobicContact CG-CG2 4.29Å; E121-V125 HydrophobicContact CG-CG2 4.2Å; E121-V125 VanDerWaalsContact O-CG2 3.25Å; E121-V125 WeakPolarHBondContact O-CG2 3.29Å; E121-V125 PolarHBondContact O-N 3.02Å; A122-V125 PolarHBondContact O-N 2.87Å; V125-E127 PolarHBondContact O-N 3.22Å; V125-V128 HydrophobicContact CB-CG2 4.46Å; V125-V128 HydrophobicContact CG1-CG2 4.38Å; V125-V128 PolarHBondContact O-N 3.49Å; V125-G129 WeakPolarHBondContact CG1-O 3.34Å; V125-G129 CarbonylContact O-C 3.14Å; V125-G129 WeakPolarHBondContact O-CA 3.32Å; V125-G129 PolarHBondContact O-N 3.02Å; V125-L130 HydrophobicContact CB-CD2 4.28Å; V125-L130 HydrophobicContact CG1-CD2 3.61Å; V125-L130 HydrophobicContact CG1-CG 4.38Å
126I60.6Low59.4Low23 Ų2349 Ų4912%0.11825%0.254CS..Hα-helixtrans-61.1-33.6170.2-75.4168.7000111.7P69 F70 A122 H124 V372 F376P69-I126 WeakPolarHBondContact O-CG2 3.39Å; F70-I126 HydrophobicContact CB-CB 4.47Å; F70-I126 HydrophobicContact CB-CG1 4.05Å; F70-I126 HydrophobicContact CB-CG2 4.06Å; A122-I126 WeakPolarHBondContact O-CB 3.43Å; A122-I126 VanDerWaalsContact O-CG1 3.22Å; A122-I126 WeakPolarHBondContact O-CG1 3.2Å; A122-I126 PolarHBondContact O-N 3.34Å; H124-I126 VanDerWaalsContact C-N 3.31Å; H124-I126 PolarHBondContact O-N 2.85Å; I126-V372 HydrophobicContact CD1-CB 4.42Å; I126-V372 HydrophobicContact CD1-CG1 3.13Å; I126-V372 HydrophobicContact CD1-CG2 4.5Å; I126-F376 HydrophobicContact CD1-CE2 3.64Å; I126-F376 HydrophobicContact CD1-CZ 3.97Å; I126-F376 HydrophobicContact CG1-CE2 4.34Å; I126-F376 HydrophobicContact CG1-CZ 4.16Å
127E58.4Low61Low147 Ų14746.7 Ų46.769%0.68725%0.25SS*.Hα-helixtrans-70.2-34.6175.3-58171.9155.400112H124 V125H124-E127 IonicContact CE1-OE2 4Å; H124-E127 IonicContact ND1-OE2 2.75Å; H124-E127 PolarHBondContact ND1-OE2 3.13Å; H124-E127 WeakPolarHBondContact O-CA 3.44Å; H124-E127 VanDerWaalsContact O-CB 3.26Å; H124-E127 WeakPolarHBondContact O-CB 3.38Å; H124-E127 PolarHBondContact O-N 3.48Å; V125-E127 PolarHBondContact O-N 3.22Å
128V58.2Low62.2Low91 Ų9147 Ų4755%0.55225%0.253SS*.Hα-helixtrans-101.4-18.8-174.7-600000115.9H124 V125H124-V128 PolarHBondContact O-N 3.43Å; V125-V128 HydrophobicContact CB-CG2 4.46Å; V125-V128 HydrophobicContact CG1-CG2 4.38Å; V125-V128 PolarHBondContact O-N 3.49Å
129G59Low62.8Low10 Ų1043.6 Ų43.610%0.10324%0.236CC..  trans114.3134.5179.700000115.4T71 V125T71-G129 CarbonylContact O-C 3.53Å; T71-G129 WeakPolarHBondContact O-CA 3.41Å; T71-G129 WeakPolarHBondContact OG1-CA 3.45Å; T71-G129 PolarHBondContact OG1-N 2.86Å; V125-G129 WeakPolarHBondContact CG1-O 3.34Å; V125-G129 CarbonylContact O-C 3.14Å; V125-G129 WeakPolarHBondContact O-CA 3.32Å; V125-G129 PolarHBondContact O-N 3.02Å
130L62.4Low63.5Low1 Ų145.9 Ų45.91%0.00526%0.259CS..BIsolated β-bridgetrans-90.5145179.1-65169.1000112.2F70 T71 I72 N73 L82 V125 A134 F376F70-L130 HydrophobicContact CB-CD1 3.92Å; F70-L130 HydrophobicContact CD2-CD1 3.53Å; F70-L130 HydrophobicContact CE2-CD1 4.17Å; F70-L130 HydrophobicContact CG-CD1 3.79Å; T71-L130 PolarHBondContact O-N 3.2Å; I72-L130 CarbonylContact C-O 3.52Å; I72-L130 WeakPolarHBondContact CA-O 3.36Å; I72-L130 WeakPolarHBondContact CG2-O 3.4Å; N73-L130 PolarHBondContact N-O 3Å; L82-L130 HydrophobicContact CD1-CD2 3.35Å; V125-L130 HydrophobicContact CB-CD2 4.28Å; V125-L130 HydrophobicContact CG1-CD2 3.61Å; V125-L130 HydrophobicContact CG1-CG 4.38Å; L130-A134 HydrophobicContact CB-CB 4.36Å; L130-A134 HydrophobicContact CD2-CB 4.13Å; L130-F376 HydrophobicContact CD1-CE1 3.98Å; L130-F376 HydrophobicContact CD1-CZ 3.8Å; L130-F376 HydrophobicContact CD2-CE1 4.21Å; L130-F376 HydrophobicContact CD2-CZ 4.31Å
131S60.6Low64.6Low12 Ų1243.8 Ų43.88%0.08425%0.249CC..  trans-75.2160.8165.366.20000111.5D133 A134S131-D133 PolarHBondContact O-N 3.15Å; S131-A134 WeakPolarHBondContact O-CA 3.13Å; S131-A134 WeakPolarHBondContact O-CB 3.32Å; S131-A134 PolarHBondContact O-N 3.47Å
132D58.7Low66.2Low88 Ų8842.6 Ų42.647%0.47124%0.243SC..G310 helixtrans-57.4-34.5178.2-71.1-17.6000112.9I72 A134 M135I72-D132 WeakPolarHBondContact CG2-OD1 3.14Å; D132-A134 PolarHBondContact O-N 3.36Å; D132-M135 VanDerWaalsContact O-CG 3.32Å; D132-M135 WeakPolarHBondContact O-CG 3.39Å; D132-M135 PolarHBondContact O-N 2.84Å
133D58.7Low67.9Low63 Ų6343.1 Ų43.134%0.33725%0.246SC..G310 helixtrans-73.3-13.6177.5-65.8-53.9000113.3M78 K108 K115 S131M78-D133 HydrophobicContact SD-CB 3.71Å; M78-D133 VanDerWaalsContact SD-OD2 3.34Å; K108-D133 VanDerWaalsContact CE-OD1 3.24Å; K108-D133 WeakPolarHBondContact CE-OD1 3.23Å; K108-D133 IonicContact NZ-OD1 2.84Å; K108-D133 PolarHBondContact NZ-OD1 3.44Å; K108-D133 IonicContact NZ-OD2 3.74Å; K115-D133 PolarHBondContact NZ-O 3.39Å; S131-D133 PolarHBondContact O-N 3.15Å
134A63.1Low69.4Low6 Ų641.1 Ų41.15%0.0524%0.235CC..G310 helixtrans-96.511.6179.300000113.5L82 L130 S131 D132 F376L82-A134 HydrophobicContact CB-CB 4.46Å; L82-A134 HydrophobicContact CD1-CB 3.66Å; L130-A134 HydrophobicContact CB-CB 4.36Å; L130-A134 HydrophobicContact CD2-CB 4.13Å; S131-A134 WeakPolarHBondContact O-CA 3.13Å; S131-A134 WeakPolarHBondContact O-CB 3.32Å; S131-A134 PolarHBondContact O-N 3.47Å; D132-A134 PolarHBondContact O-N 3.36Å; A134-F376 WeakPolarHBondContact O-CE1 3.33Å
135M67.9Low71Confident109 Ų10936.9 Ų36.954%0.53722%0.216SC..  trans-54.8134.7178.3-77.2-173.682.900111.9D132 V137D132-M135 VanDerWaalsContact O-CG 3.32Å; D132-M135 WeakPolarHBondContact O-CG 3.39Å; D132-M135 PolarHBondContact O-N 2.84Å; M135-V137 PolarHBondContact O-N 3.31Å
136P74.3Confident72.9Confident14 Ų1438.4 Ų38.49%0.09122%0.223CC..  trans-67.8130.8179.93.9-0.7000112.1F70 N138 G139 A375 F376F70-P136 HydrophobicContact CD1-CG 4.25Å; F70-P136 HydrophobicContact CE1-CG 3.76Å; F70-P136 HydrophobicContact CZ-CG 3.97Å; P136-N138 VanDerWaalsContact C-N 3.33Å; P136-N138 PolarHBondContact O-N 2.94Å; P136-G139 PolarHBondContact O-N 3.26Å; P136-A375 CarbonylContact C-O 3.43Å; P136-A375 VanDerWaalsContact C-O 3.23Å; P136-A375 WeakPolarHBondContact CA-O 3.37Å; P136-A375 HydrophobicContact CB-CB 3.59Å; P136-A375 WeakPolarHBondContact CB-O 3.3Å; P136-A375 HydrophobicContact CG-CB 4.31Å; P136-F376 HydrophobicContact CB-CD1 3.71Å; P136-F376 HydrophobicContact CB-CD2 4.25Å; P136-F376 HydrophobicContact CB-CE1 3.73Å; P136-F376 HydrophobicContact CB-CE2 4.23Å; P136-F376 HydrophobicContact CB-CG 3.97Å; P136-F376 HydrophobicContact CB-CZ 3.99Å; P136-F376 HydrophobicContact CG-CD1 4.25Å; P136-F376 HydrophobicContact CG-CE1 3.73Å; P136-F376 HydrophobicContact CG-CE2 4.29Å; P136-F376 HydrophobicContact CG-CZ 3.75Å
137V76.2Confident74.5Confident51 Ų5137.7 Ų37.731%0.30922%0.219SC..THydrogen-bonded Turntrans-63.3-33.2-179-68.80000114M135 A375M135-V137 PolarHBondContact O-N 3.31Å; V137-A375 PolarHBondContact N-O 3.17Å
138N78.3Confident76.3Confident24 Ų2430.8 Ų30.813%0.12819%0.187CC..THydrogen-bonded Turntrans-110.328.2169.1-52.9-40.5000110.5P136 G140 M270 R274 I374 A375 T377 S379P136-N138 VanDerWaalsContact C-N 3.33Å; P136-N138 PolarHBondContact O-N 2.94Å; N138-G140 PolarHBondContact O-N 3.41Å; N138-M270 HydrophobicContact CB-CE 4.29Å; N138-M270 HydrophobicContact CB-SD 4.22Å; N138-R274 PolarHBondContact O-NH2 3.37Å; N138-I374 PolarHBondContact ND2-O 3.49Å; N138-A375 CarbonylContact C-O 3.44Å; N138-A375 PolarHBondContact N-O 3.19Å; N138-T377 PolarHBondContact ND2-O 3.42Å; N138-S379 PolarHBondContact ND2-OG 3.37Å; N138-S379 PolarHBondContact OD1-OG 3.23Å
139G67.9Low77.9Confident6 Ų628.2 Ų28.26%0.06217%0.172CC..  trans-75.6-11.6178.100000113.8P136P136-G139 PolarHBondContact O-N 3.26Å
140G73.5Confident79.6Confident48 Ų4829.3 Ų29.350%0.49518%0.178SC..SBendtrans-66179.8-177.200000114.5N138 R274N138-G140 PolarHBondContact O-N 3.41Å; G140-R274 VanDerWaalsContact O-CZ 3.28Å; G140-R274 PolarHBondContact O-NH1 3.07Å; G140-R274 PolarHBondContact O-NH2 3.06Å
141S84.6Confident81.2Confident47 Ų4729.2 Ų29.233%0.32918%0.177SC..  trans-61134.4-174.7-61.50000114.6D65 Q67D65-S141 VanDerWaalsContact CG-CB 3.5Å; D65-S141 WeakPolarHBondContact OD1-CA 3.26Å; D65-S141 WeakPolarHBondContact OD1-CB 3.47Å; D65-S141 PolarHBondContact OD1-OG 2.83Å; D65-S141 WeakPolarHBondContact OD2-CB 3.38Å; D65-S141 PolarHBondContact OD2-OG 2.94Å; Q67-S141 PolarHBondContact NE2-OG 3.35Å
142I91.6Very high82.8Confident21 Ų2128.7 Ų28.711%0.10817%0.174CC..EExtended strand (participates in β ladder)trans-115.9102.2166-72.2-73.2000106.3D65 I66 M270 L271D65-I142 PolarHBondContact OD1-N 2.91Å; I66-I142 PolarHBondContact N-O 3.48Å; I142-M270 HydrophobicContact CD1-CB 4.2Å; I142-L271 HydrophobicContact CG2-CB 4.19Å; I142-L271 HydrophobicContact CG2-CD1 3.77Å
143I93.8Very high84.4Confident11 Ų1124.9 Ų24.96%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-86.9123.8-173.9-54.3-58.4000109.7L37 T39 L63 L64 D65 S257L37-I143 HydrophobicContact CD2-CD1 4.03Å; L37-I143 HydrophobicContact CD2-CG1 3.84Å; L37-I143 HydrophobicContact CD2-CG2 4.37Å; T39-I143 HydrophobicContact CG2-CD1 4.3Å; L63-I143 HydrophobicContact CB-CG2 3.92Å; L63-I143 HydrophobicContact CD1-CG2 3.95Å; L63-I143 HydrophobicContact CD2-CG2 4.25Å; L63-I143 HydrophobicContact CG-CG2 4.27Å; L64-I143 CarbonylContact O-C 3.51Å; L64-I143 VanDerWaalsContact O-CA 3.32Å; L64-I143 WeakPolarHBondContact O-CA 3.3Å; D65-I143 HydrophobicContact CB-CD1 3.62Å; I143-S257 WeakPolarHBondContact CB-OG 3.3Å; I143-S257 PolarHBondContact O-N 2.84Å
144V94.7Very high85.6Confident0 Ų023.7 Ų23.70%015%0.15CC..EExtended strand (participates in β ladder)trans-98.8122.2176.5-171.90000109.2M14 L64 I66 Q146 L147 L254 L271M14-V144 HydrophobicContact CE-CG1 4.46Å; M14-V144 WeakPolarHBondContact CE-O 3.45Å; L64-V144 HydrophobicContact CB-CB 4.24Å; L64-V144 PolarHBondContact N-O 3.35Å; L64-V144 PolarHBondContact O-N 3.47Å; I66-V144 HydrophobicContact CD1-CG2 3.57Å; I66-V144 HydrophobicContact CG1-CG2 3.89Å; V144-Q146 WeakPolarHBondContact CG1-O 3.49Å; V144-L147 HydrophobicContact CG1-CD2 3.86Å; V144-L147 HydrophobicContact CG1-CG 4.09Å; V144-L254 HydrophobicContact CG1-CD1 3.93Å; V144-L271 HydrophobicContact CG2-CD1 3.75Å
145V94.1Very high86.6Confident0 Ų025.4 Ų25.40%016%0.16CC..EExtended strand (participates in β ladder)trans-85.8-36.7177.2171.80000111M16 L17 L63 L203 V255M16-V145 HydrophobicContact CB-CG1 4.23Å; M16-V145 HydrophobicContact CG-CG1 4.39Å; M16-V145 HydrophobicContact SD-CB 4.32Å; M16-V145 HydrophobicContact SD-CG1 3.66Å; M16-V145 HydrophobicContact SD-CG2 3.78Å; L17-V145 HydrophobicContact CD1-CG1 4.26Å; L17-V145 HydrophobicContact CD2-CG1 4.17Å; L17-V145 HydrophobicContact CG-CG1 3.77Å; L63-V145 HydrophobicContact CD2-CG2 4.34Å; V145-L203 HydrophobicContact CG1-CD2 4.45Å; V145-L203 HydrophobicContact CG2-CD1 4.32Å; V145-V255 HydrophobicContact CB-CB 4.21Å; V145-V255 HydrophobicContact CB-CG1 4.05Å; V145-V255 HydrophobicContact CG1-CG1 4.25Å; V145-V255 PolarHBondContact N-O 2.9Å
146Q93.8Very high87.5Confident35 Ų3525.1 Ų25.116%0.16416%0.155CC..EExtended strand (participates in β ladder)trans-148.1131.9-178.2178.970.33400109.6L17 V144 V255L17-Q146 HydrophobicContact CD1-CB 4.44Å; V144-Q146 WeakPolarHBondContact CG1-O 3.49Å; Q146-V255 HydrophobicContact CB-CB 3.8Å; Q146-V255 HydrophobicContact CB-CG2 3.74Å; Q146-V255 HydrophobicContact CG-CG2 4.33Å; Q146-V255 PolarHBondContact N-O 2.83Å; Q146-V255 PolarHBondContact O-N 2.92Å
147L94.6Very high88.2Confident7 Ų729.8 Ų29.84%0.03719%0.185CC..  trans-94.1146.1169.8-73.2172.8000111.1L11 M14 L64 V144 T149 P154 M253 L254 F279L11-L147 HydrophobicContact CD2-CD1 3.86Å; M14-L147 HydrophobicContact CE-CG 4.45Å; M14-L147 HydrophobicContact SD-CD1 4.34Å; L64-L147 HydrophobicContact CD1-CD1 3.47Å; L64-L147 VanDerWaalsContact CD1-CD1 3.47Å; L64-L147 HydrophobicContact CD1-CG 4.18Å; V144-L147 HydrophobicContact CG1-CD2 3.86Å; V144-L147 HydrophobicContact CG1-CG 4.09Å; L147-T149 PolarHBondContact O-N 3.01Å; L147-P154 HydrophobicContact CD1-CG 4.48Å; L147-M253 CarbonylContact C-O 3.46Å; L147-L254 HydrophobicContact CD2-CD1 4.07Å; L147-F279 HydrophobicContact CD1-CE1 4.49Å; L147-F279 HydrophobicContact CD1-CZ 4.23Å; L147-F279 HydrophobicContact CD2-CD2 4.25Å; L147-F279 HydrophobicContact CD2-CE2 4.01Å
148P95.4Very high88.9Confident2 Ų232.6 Ų32.61%0.01321%0.205CC..  trans-72.2124.2167.331.3-33.7000108.7A151 V198 N251 L254 W275P148-A151 VanDerWaalsContact O-O 3.08Å; P148-V198 HydrophobicContact CB-CG1 4.07Å; P148-V198 HydrophobicContact CB-CG2 4.06Å; P148-V198 HydrophobicContact CG-CG1 3.81Å; P148-V198 HydrophobicContact CG-CG2 4.03Å; P148-N251 CarbonylContact C-O 3.39Å; P148-N251 WeakPolarHBondContact CA-O 3.32Å; P148-L254 HydrophobicContact CG-CB 4.31Å; P148-W275 HydrophobicContact CG-CH2 4.34Å; P148-W275 HydrophobicContact CG-CZ2 3.52Å
149T92.5Very high89.7Confident37 Ų3734.5 Ų34.523%0.22721%0.213CC..SBendtrans-92.8-7.1175.272.90000112.6L147 K156 N251L147-T149 PolarHBondContact O-N 3.01Å; T149-K156 PolarHBondContact O-NZ 2.97Å; T149-N251 PolarHBondContact N-O 3.37Å; T149-N251 VanDerWaalsContact OG1-CB 3.29Å; T149-N251 WeakPolarHBondContact OG1-CB 3.38Å; T149-N251 PolarHBondContact OG1-OD1 2.65Å
150S94.3Very high91.1Very high33 Ų3337.7 Ų37.723%0.23123%0.234CC..SBendtrans-77.4-19173.567.30000113.4R196 N251 D252S150-R196 VanDerWaalsContact O-CD 3.22Å; S150-R196 WeakPolarHBondContact O-CD 3.49Å; S150-R196 PolarHBondContact O-NE 3.08Å; S150-N251 WeakPolarHBondContact CB-O 3.31Å; S150-N251 PolarHBondContact N-O 2.94Å; S150-N251 PolarHBondContact OG-O 2.88Å; S150-D252 WeakPolarHBondContact OG-CA 3.4Å
151A96Very high92.2Very high0 Ų035.6 Ų35.60%021%0.212CC..SBendtrans-141134.6-178.600000110.8P148 S153 R196 V198 W275P148-A151 VanDerWaalsContact O-O 3.08Å; A151-S153 PolarHBondContact O-N 3.5Å; A151-S153 VanDerWaalsContact O-N 3.12Å; A151-R196 HydrophobicContact CB-CB 3.77Å; A151-R196 HydrophobicContact CB-CG 4.11Å; A151-V198 HydrophobicContact CB-CG2 3.63Å; A151-W275 HydrophobicContact CB-CH2 4.38Å; A151-W275 HydrophobicContact CB-CZ2 4.42Å
152C94.7Very high92.9Very high1 Ų135.2 Ų35.21%0.00721%0.206CC..SBendtrans51.237.3176-47.90000114P154 I164 W275 F279 C280C152-P154 WeakPolarHBondContact O-CD 3.34Å; C152-I164 WeakPolarHBondContact SG-CD1 3.39Å; C152-W275 HydrophobicContact CB-CZ2 3.9Å; C152-F279 HydrophobicContact CB-CB 4.17Å; C152-F279 WeakPolarHBondContact CB-O 3.49Å; C152-C280 HydrophobicContact CB-CB 3.94Å; C152-C280 WeakPolarHBondContact CB-SG 3.37Å; C152-C280 WeakPolarHBondContact SG-CA 3.29Å; C152-C280 WeakPolarHBondContact SG-CB 3.48Å; C152-C280 CovalentContact SG-SG 2.02Å; C152-C280 PolarHBondContact SG-SG 3.4Å
153S91.4Very high93.2Very high7 Ų734.2 Ų34.25%0.04920%0.201CC..  trans-69.5123.5179.5-178.60000109.2A151 T155 K156A151-S153 PolarHBondContact O-N 3.5Å; A151-S153 VanDerWaalsContact O-N 3.12Å; S153-T155 PolarHBondContact O-N 3.14Å; S153-T155 VanDerWaalsContact O-N 3.16Å; S153-T155 PolarHBondContact OG-OG1 3.08Å; S153-K156 PolarHBondContact O-N 3.33Å; S153-K156 VanDerWaalsContact O-N 3.1Å
154P84.3Confident93.4Very high39 Ų3933.7 Ų33.725%0.25320%0.198SC..THydrogen-bonded Turntrans-68.8-12.5-177.326.3-35.5000114L6 L11 F48 L147 C152 F279L6-P154 HydrophobicContact CD2-CB 3.34Å; L6-P154 HydrophobicContact CD2-CG 3.03Å; L11-P154 HydrophobicContact CD1-CG 4.31Å; F48-P154 HydrophobicContact CZ-CB 3.97Å; L147-P154 HydrophobicContact CD1-CG 4.48Å; C152-P154 WeakPolarHBondContact O-CD 3.34Å; P154-F279 HydrophobicContact CB-CD1 3.94Å; P154-F279 HydrophobicContact CB-CE1 4.14Å; P154-F279 HydrophobicContact CG-CD1 4Å; P154-F279 HydrophobicContact CG-CE1 4.01Å
155T84.2Confident93.6Very high42 Ų4233.7 Ų33.726%0.25820%0.198SC..THydrogen-bonded Turntrans-98.12.1176.160.80000113.3S7 N8 L11 S153S7-T155 VanDerWaalsContact C-CG2 3.5Å; N8-T155 WeakPolarHBondContact OD1-CB 3.35Å; N8-T155 WeakPolarHBondContact OD1-CG2 3.3Å; N8-T155 PolarHBondContact OD1-OG1 3.41Å; L11-T155 HydrophobicContact CD1-CG2 3.45Å; L11-T155 VanDerWaalsContact CD1-CG2 3.45Å; L11-T155 HydrophobicContact CG-CG2 4.12Å; S153-T155 PolarHBondContact O-N 3.14Å; S153-T155 VanDerWaalsContact O-N 3.16Å; S153-T155 PolarHBondContact OG-OG1 3.08Å
156K87.3Confident93.8Very high103 Ų10333.9 Ų33.945%0.44820%0.199SC..SBendtrans-110.7153175-64.1-177.2-176.5171.30109.9T149 S153T149-K156 PolarHBondContact O-NZ 2.97Å; S153-K156 PolarHBondContact O-N 3.33Å; S153-K156 VanDerWaalsContact O-N 3.1Å
157P89.5Confident94.1Very high111 Ų11132.2 Ų32.272%0.72119%0.191SC*.PPolyproline II helixtrans-55.6144.1169.9-23.534000111E159P157-E159 PolarHBondContact O-N 2.7Å
158P91.4Very high94.2Very high110 Ų11033.2 Ų33.271%0.71420%0.196SC*.PPolyproline II helixtrans-55.8133.3174.6-24.933.8000111.6Q283P158-Q283 HydrophobicContact CB-CG 4.08Å
159E94Very high94.3Very high64 Ų6433.2 Ų33.230%0.29920%0.196SC..PPolyproline II helixtrans-94.2143.9172.9-64.3-177.4-101.900109.4P157 L161 R196 Q283P157-E159 PolarHBondContact O-N 2.7Å; E159-L161 HydrophobicContact CB-CD1 4.47Å; E159-L161 HydrophobicContact CB-CD2 4.11Å; E159-L161 HydrophobicContact CB-CG 4.03Å; E159-R196 IonicContact OE1-NE 3.73Å; E159-R196 IonicContact OE1-NH2 3.79Å; E159-R196 IonicContact OE2-CZ 3.55Å; E159-R196 IonicContact OE2-NE 3.72Å; E159-R196 IonicContact OE2-NH2 2.69Å; E159-R196 PolarHBondContact OE2-NH2 2.73Å; E159-Q283 VanDerWaalsContact O-CA 3.25Å; E159-Q283 WeakPolarHBondContact O-CA 3.33Å; E159-Q283 VanDerWaalsContact O-CB 3.22Å; E159-Q283 WeakPolarHBondContact O-CB 3.13Å
160S96.9Very high94.4Very high73 Ų7333.1 Ų33.151%0.5120%0.196SC..  trans-90.2115.9164.7173.50000107.4R194S160-R194 WeakPolarHBondContact O-CD 3.46Å; S160-R194 PolarHBondContact O-NE 3.5Å; S160-R194 PolarHBondContact O-NH1 2.79Å; S160-R194 PolarHBondContact OG-NH1 3.03Å; S160-R194 PolarHBondContact OG-NH2 3.09Å; S160-R194 VanDerWaalsContact OG-NH2 3.09Å
161L97.9Very high94.5Very high4 Ų431.6 Ų31.62%0.02119%0.185CC..  trans-119149.7-177-60172.6000109.4E159 I164 R194 R196 Q283 P285E159-L161 HydrophobicContact CB-CD1 4.47Å; E159-L161 HydrophobicContact CB-CD2 4.11Å; E159-L161 HydrophobicContact CB-CG 4.03Å; L161-I164 HydrophobicContact CD1-CD1 3.88Å; L161-I164 HydrophobicContact CD1-CG1 3.77Å; L161-R194 HydrophobicContact CD2-CB 4.13Å; L161-R196 HydrophobicContact CD1-CB 4.23Å; L161-R196 HydrophobicContact CD1-CG 3.57Å; L161-R196 HydrophobicContact CD2-CG 3.97Å; L161-R196 HydrophobicContact CG-CG 4.44Å; L161-Q283 PolarHBondContact N-O 3.35Å; L161-P285 VanDerWaalsContact O-CD 3.22Å; L161-P285 WeakPolarHBondContact O-CD 3.41Å
162D97.8Very high94.5Very high40 Ų4032.2 Ų32.221%0.21419%0.188CC..SBendtrans-86.7-30.8176.5-54.1-43.5000110.9F193 R194D162-F193 HydrophobicContact CB-CD2 3.91Å; D162-F193 HydrophobicContact CB-CE1 4.16Å; D162-F193 HydrophobicContact CB-CE2 3.49Å; D162-F193 VanDerWaalsContact CB-CE2 3.49Å; D162-F193 HydrophobicContact CB-CG 4.41Å; D162-F193 HydrophobicContact CB-CZ 3.63Å; D162-R194 PolarHBondContact N-O 3.47Å; D162-R194 IonicContact OD1-CZ 3.87Å; D162-R194 IonicContact OD1-NE 3.57Å; D162-R194 IonicContact OD1-NH2 2.82Å; D162-R194 PolarHBondContact OD1-NH2 3.45Å; D162-R194 PolarHBondContact OD2-N 3.32Å; D162-R194 IonicContact OD2-NE 3.6Å
163L98.4Very high94.6Very high0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-153.6142.1178.7-174.163.7000111.5V165 F193 R194 I195 R196 L286 L288 T301 V305 L361L163-V165 HydrophobicContact CD2-CG2 3.82Å; L163-V165 HydrophobicContact CG-CG2 4.08Å; L163-F193 HydrophobicContact CB-CE1 3.72Å; L163-F193 HydrophobicContact CB-CZ 3.86Å; L163-F193 HydrophobicContact CD2-CE1 4.33Å; L163-R194 PolarHBondContact N-O 3.48Å; L163-I195 HydrophobicContact CB-CG1 4.3Å; L163-I195 HydrophobicContact CD2-CD1 4Å; L163-I195 WeakPolarHBondContact O-CA 3.47Å; L163-R196 PolarHBondContact O-N 2.86Å; L163-L286 HydrophobicContact CD1-CB 4.16Å; L163-L286 HydrophobicContact CD1-CD2 4.09Å; L163-L286 HydrophobicContact CD1-CG 3.97Å; L163-L288 HydrophobicContact CD1-CB 4.01Å; L163-L288 HydrophobicContact CD2-CB 4.19Å; L163-L288 HydrophobicContact CG-CB 4.42Å; L163-T301 HydrophobicContact CD2-CG2 3.99Å; L163-V305 HydrophobicContact CD2-CG2 4.34Å; L163-L361 HydrophobicContact CD1-CD2 4.22Å
164I98.7Very high94.8Very high0 Ų033.4 Ų33.40%019%0.193CC..EExtended strand (participates in β ladder)trans-113.8126.1161.4-63.5179.2000108C152 L161 I166 R196 W275 C280 T284 L286 Y287 L288C152-I164 WeakPolarHBondContact SG-CD1 3.39Å; L161-I164 HydrophobicContact CD1-CD1 3.88Å; L161-I164 HydrophobicContact CD1-CG1 3.77Å; I164-I166 HydrophobicContact CG2-CG1 4.32Å; I164-R196 WeakPolarHBondContact CA-O 3.49Å; I164-W275 HydrophobicContact CG2-CH2 4.32Å; I164-W275 HydrophobicContact CG2-CZ3 4.49Å; I164-C280 HydrophobicContact CD1-CB 4.25Å; I164-T284 HydrophobicContact CB-CG2 4.23Å; I164-T284 HydrophobicContact CD1-CG2 3.59Å; I164-T284 HydrophobicContact CG1-CG2 3.77Å; I164-L286 PolarHBondContact N-O 2.72Å; I164-Y287 HydrophobicContact CB-CD1 3.78Å; I164-Y287 HydrophobicContact CB-CE1 3.95Å; I164-Y287 HydrophobicContact CD1-CE1 4Å; I164-Y287 HydrophobicContact CG1-CE1 4.45Å; I164-Y287 HydrophobicContact CG2-CD1 4.13Å; I164-Y287 HydrophobicContact CG2-CE1 4.28Å; I164-Y287 VanDerWaalsContact O-CA 3.32Å; I164-Y287 WeakPolarHBondContact O-CA 3.49Å; I164-L288 PolarHBondContact O-N 3.04Å
165V98.8Very high95.4Very high0 Ų037.9 Ų37.90%022%0.215CC..EExtended strand (participates in β ladder)trans-99.9126.4176.8-177.20000109.2L163 V167 I195 R196 F197 V198 L288 V290 L296L163-V165 HydrophobicContact CD2-CG2 3.82Å; L163-V165 HydrophobicContact CG-CG2 4.08Å; V165-V167 HydrophobicContact CG1-CG2 3.95Å; V165-I195 HydrophobicContact CG2-CD1 3.67Å; V165-I195 HydrophobicContact CG2-CG1 4.06Å; V165-R196 PolarHBondContact N-O 2.71Å; V165-F197 HydrophobicContact CB-CD1 3.54Å; V165-F197 HydrophobicContact CB-CE1 3.81Å; V165-F197 HydrophobicContact CB-CG 4.32Å; V165-F197 HydrophobicContact CG1-CD1 3.78Å; V165-F197 HydrophobicContact CG1-CE1 3.98Å; V165-F197 HydrophobicContact CG2-CD1 3.99Å; V165-F197 HydrophobicContact CG2-CE1 3.75Å; V165-F197 HydrophobicContact CG2-CZ 4.39Å; V165-F197 CarbonylContact O-C 3.59Å; V165-F197 WeakPolarHBondContact O-CA 3.39Å; V165-V198 PolarHBondContact O-N 2.93Å; V165-L288 CarbonylContact C-O 3.59Å; V165-L288 VanDerWaalsContact CA-O 3.31Å; V165-L288 WeakPolarHBondContact CA-O 3.42Å; V165-L288 HydrophobicContact CG1-CD2 4.3Å; V165-L288 HydrophobicContact CG2-CB 4.25Å; V165-L288 HydrophobicContact CG2-CD2 4.2Å; V165-V290 HydrophobicContact CG1-CG1 3.84Å; V165-L296 HydrophobicContact CG1-CD1 3.99Å; V165-L296 HydrophobicContact CG2-CD1 3.83Å
166I98.8Very high96Very high3 Ų338.7 Ų38.72%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-110.5109.1178.6-61.2173.5000107I164 V198 V200 W275 T276 Y287 L288 F289 V290I164-I166 HydrophobicContact CG2-CG1 4.32Å; I166-V198 WeakPolarHBondContact CA-O 3.32Å; I166-V200 HydrophobicContact CG2-CG2 3.47Å; I166-V200 VanDerWaalsContact CG2-CG2 3.47Å; I166-W275 HydrophobicContact CD1-CZ3 4.16Å; I166-W275 HydrophobicContact CG1-CZ3 4.32Å; I166-T276 HydrophobicContact CD1-CG2 3.42Å; I166-T276 VanDerWaalsContact CD1-CG2 3.42Å; I166-Y287 HydrophobicContact CD1-CD1 4.09Å; I166-L288 PolarHBondContact N-O 3.1Å; I166-F289 HydrophobicContact CB-CD1 3.87Å; I166-F289 HydrophobicContact CB-CE1 4.13Å; I166-F289 HydrophobicContact CB-CG 4.5Å; I166-F289 HydrophobicContact CD1-CD1 4.11Å; I166-F289 HydrophobicContact CD1-CE1 3.48Å; I166-F289 VanDerWaalsContact CD1-CE1 3.48Å; I166-F289 HydrophobicContact CD1-CZ 3.76Å; I166-F289 HydrophobicContact CG1-CE1 4.37Å; I166-F289 HydrophobicContact CG2-CD1 3.97Å; I166-F289 HydrophobicContact CG2-CE1 4.17Å; I166-F289 WeakPolarHBondContact O-CA 3.43Å; I166-V290 PolarHBondContact O-N 2.04Å
167V98.5Very high96.5Very high0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-96.9110.6-178.1-172.90000108.6V165 S169 V198 F199 V200 V290 D292V165-V167 HydrophobicContact CG1-CG2 3.95Å; V167-S169 PolarHBondContact O-N 2.76Å; V167-S169 VanDerWaalsContact O-N 3.1Å; V167-V198 PolarHBondContact N-O 2.95Å; V167-F199 HydrophobicContact CB-CD1 3.58Å; V167-F199 HydrophobicContact CB-CE1 3.85Å; V167-F199 HydrophobicContact CG1-CD1 3.71Å; V167-F199 HydrophobicContact CG1-CE1 3.73Å; V167-F199 HydrophobicContact CG2-CD1 4.26Å; V167-F199 HydrophobicContact CG2-CE1 4.13Å; V167-F199 WeakPolarHBondContact O-CA 3.48Å; V167-V200 PolarHBondContact O-N 3.34Å; V167-V290 CarbonylContact C-O 3.41Å; V167-V290 VanDerWaalsContact CA-O 3.32Å; V167-V290 WeakPolarHBondContact CA-O 3.41Å; V167-V290 HydrophobicContact CB-CG1 4.33Å; V167-V290 HydrophobicContact CG1-CG1 4.37Å; V167-V290 HydrophobicContact CG2-CG1 3.86Å; V167-D292 HydrophobicContact CG1-CB 3.96Å
168K97.9Very high96.9Very high29 Ų2931 Ų3113%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-74.199.8174.8-172.9179.357.9173.30107.8L265 K268 V290 D291 D292 D383K168-L265 HydrophobicContact CD-CB 4.32Å; K168-L265 HydrophobicContact CD-CD2 3.6Å; K168-L265 HydrophobicContact CD-CG 4.44Å; K168-L265 HydrophobicContact CG-CD2 4.04Å; K168-K268 HydrophobicContact CG-CD 3.95Å; K168-V290 PolarHBondContact N-O 3.17Å; K168-D291 WeakPolarHBondContact CE-OD1 3.43Å; K168-D291 WeakPolarHBondContact CE-OD2 3.33Å; K168-D291 IonicContact NZ-OD1 3.7Å; K168-D291 PolarHBondContact NZ-OD1 2.85Å; K168-D291 IonicContact NZ-OD2 3.66Å; K168-D291 PolarHBondContact NZ-OD2 2.72Å; K168-D292 PolarHBondContact O-N 3.1Å; K168-D383 IonicContact NZ-OD1 2.83Å; K168-D383 IonicContact NZ-OD2 2.79Å; K168-D383 PolarHBondContact NZ-OD2 3.23Å
169S97.7Very high97.2Very high2 Ų227.9 Ų27.91%0.01415%0.15CC..  trans-107.8165.9-176.9-172.80000111.8V167 R177 V200 K268 D292V167-S169 PolarHBondContact O-N 2.76Å; V167-S169 VanDerWaalsContact O-N 3.1Å; S169-R177 WeakPolarHBondContact OG-CG 3.48Å; S169-R177 PolarHBondContact OG-NH1 2.85Å; S169-R177 VanDerWaalsContact OG-NH1 3.09Å; S169-V200 PolarHBondContact N-O 3.23Å; S169-V200 VanDerWaalsContact N-O 3.08Å; S169-K268 PolarHBondContact O-NZ 2.96Å; S169-D292 WeakPolarHBondContact CA-OD2 3.46Å; S169-D292 VanDerWaalsContact CB-OD2 3.29Å; S169-D292 WeakPolarHBondContact CB-OD2 3.31Å; S169-D292 PolarHBondContact OG-OD2 3.41Å
170C95Very high97.4Very high34 Ų3424.9 Ų24.923%0.2314%0.137CC..  trans-99.5147.6172940000112.7Y172 C173 R177 D292C170-Y172 PolarHBondContact O-N 3.08Å; C170-C173 HydrophobicContact CB-CB 4.06Å; C170-C173 WeakPolarHBondContact CB-SG 3.4Å; C170-C173 WeakPolarHBondContact O-CB 3.25Å; C170-C173 PolarHBondContact O-N 3.03Å; C170-C173 WeakPolarHBondContact SG-CB 3.26Å; C170-C173 PolarHBondContact SG-N 3.13Å; C170-C173 CovalentContact SG-SG 2.04Å; C170-C173 PolarHBondContact SG-SG 3.12Å; C170-R177 PolarHBondContact O-NH1 2.82Å; C170-D292 PolarHBondContact N-OD2 2.83Å; C170-D292 VanDerWaalsContact N-OD2 3.07Å
171I96.1Very high97.5Very high2 Ų222.4 Ų22.41%0.0112%0.116CC..THydrogen-bonded Turntrans-49.7-35.4178.7179.759.1000114F174 P204 L243 D260I171-F174 WeakPolarHBondContact O-CE2 3.39Å; I171-F174 VanDerWaalsContact O-CZ 3.26Å; I171-F174 WeakPolarHBondContact O-CZ 3.24Å; I171-P204 HydrophobicContact CD1-CG 3.94Å; I171-P204 HydrophobicContact CG1-CB 4.3Å; I171-P204 HydrophobicContact CG1-CG 3.64Å; I171-L243 HydrophobicContact CD1-CB 4.05Å; I171-L243 HydrophobicContact CD1-CD1 4.32Å; I171-L243 HydrophobicContact CD1-CD2 3.62Å; I171-L243 HydrophobicContact CD1-CG 4.19Å; I171-D260 HydrophobicContact CB-CB 3.78Å; I171-D260 WeakPolarHBondContact CB-OD2 3.42Å; I171-D260 HydrophobicContact CG2-CB 3.66Å; I171-D260 PolarHBondContact N-OD2 3.12Å
172Y95.6Very high97.4Very high13 Ų1326.7 Ų26.75%0.05114%0.139CC..THydrogen-bonded Turntrans-93.5-3.2-179.3-47.8-62.2000114.4C170 F174 P204 E208 Y232 R236 A239C170-Y172 PolarHBondContact O-N 3.08Å; Y172-F174 WeakPolarHBondContact O-CD2 3.4Å; Y172-F174 PolarHBondContact O-N 3.36Å; Y172-P204 HydrophobicContact CE1-CB 4.44Å; Y172-E208 WeakPolarHBondContact CE2-OE2 3.49Å; Y172-E208 PolarHBondContact OH-OE2 2.73Å; Y172-E208 VanDerWaalsContact OH-OE2 3.11Å; Y172-Y232 AromaticContact CD1-CD2 3.43Å; Y172-Y232 HydrophobicContact CD1-CD2 3.43Å; Y172-Y232 VanDerWaalsContact CD1-CD2 3.43Å; Y172-Y232 AromaticContact CD1-CE2 3.95Å; Y172-Y232 HydrophobicContact CD1-CE2 3.95Å; Y172-Y232 AromaticContact CD1-CG 3.98Å; Y172-Y232 HydrophobicContact CD1-CG 3.98Å; Y172-Y232 HydrophobicContact CE1-CD2 4.11Å; Y172-Y232 HydrophobicContact CE1-CG 4.25Å; Y172-Y232 HydrophobicContact CG-CD2 4.08Å; Y172-Y232 HydrophobicContact CG-CE2 4.45Å; Y172-R236 PolarHBondContact OH-NH1 2.7Å; Y172-A239 HydrophobicContact CD1-CB 3.86Å; Y172-A239 HydrophobicContact CE1-CB 3.62Å
173C95.8Very high97.4Very high8 Ų825.1 Ų25.15%0.05413%0.131CC..  trans-81.442-174-67.80000112.7C170 D175 K176 R177 D292C170-C173 HydrophobicContact CB-CB 4.06Å; C170-C173 WeakPolarHBondContact CB-SG 3.4Å; C170-C173 WeakPolarHBondContact O-CB 3.25Å; C170-C173 PolarHBondContact O-N 3.03Å; C170-C173 WeakPolarHBondContact SG-CB 3.26Å; C170-C173 PolarHBondContact SG-N 3.13Å; C170-C173 CovalentContact SG-SG 2.04Å; C170-C173 PolarHBondContact SG-SG 3.12Å; C173-D175 VanDerWaalsContact C-N 3.3Å; C173-D175 PolarHBondContact O-N 2.94Å; C173-K176 HydrophobicContact CB-CB 4.28Å; C173-K176 HydrophobicContact CB-CD 4.11Å; C173-K176 HydrophobicContact CB-CG 4.5Å; C173-K176 PolarHBondContact O-N 3.16Å; C173-R177 PolarHBondContact O-N 3.11Å; C173-R177 VanDerWaalsContact O-N 3.12Å; C173-R177 PolarHBondContact O-NH1 2.87Å; C173-D292 WeakPolarHBondContact CB-OD2 3.41Å; C173-D292 PolarHBondContact SG-OD2 3.39Å; C173-D292 VanDerWaalsContact SG-OD2 3.35Å
174F97Very high97.3Very high24 Ų2425.3 Ų25.311%0.10513%0.132CC..Hα-helixtrans-57.5-42.4-178.6-63.5-76.8000112.3I171 Y172 R177 S178 Y232 K242 L243 E246I171-F174 WeakPolarHBondContact O-CE2 3.39Å; I171-F174 VanDerWaalsContact O-CZ 3.26Å; I171-F174 WeakPolarHBondContact O-CZ 3.24Å; Y172-F174 WeakPolarHBondContact O-CD2 3.4Å; Y172-F174 PolarHBondContact O-N 3.36Å; F174-R177 PolarHBondContact O-N 3.33Å; F174-S178 PolarHBondContact O-N 3.31Å; F174-Y232 HydrophobicContact CE2-CE2 4.39Å; F174-K242 HydrophobicContact CD1-CB 4.37Å; F174-K242 HydrophobicContact CD2-CD 4.47Å; F174-K242 HydrophobicContact CE1-CB 3.66Å; F174-K242 HydrophobicContact CE2-CB 4.2Å; F174-K242 HydrophobicContact CE2-CD 4.25Å; F174-K242 HydrophobicContact CZ-CB 3.57Å; F174-K242 HydrophobicContact CZ-CD 4.43Å; F174-L243 HydrophobicContact CE1-CB 4.44Å; F174-E246 VanDerWaalsContact CD1-OE2 3.27Å; F174-E246 WeakPolarHBondContact CD1-OE2 3.36Å; F174-E246 WeakPolarHBondContact CE1-OE2 3.47Å
175D95.9Very high97.3Very high134 Ų13426.8 Ų26.872%0.71714%0.139SC*.Hα-helixtrans-68.7-39.5-177.5-61.9-21.3000111.5C173 S178 Y179C173-D175 VanDerWaalsContact C-N 3.3Å; C173-D175 PolarHBondContact O-N 2.94Å; D175-S178 PolarHBondContact O-N 3.3Å; D175-Y179 VanDerWaalsContact O-CB 3.32Å; D175-Y179 WeakPolarHBondContact O-CB 3.41Å; D175-Y179 PolarHBondContact O-N 3.15Å
176K96.7Very high97.2Very high59 Ų5930.4 Ų30.426%0.25716%0.155SC..Hα-helixtrans-62.1-43.7173.9-69.1-177169-163.50112C173 Y179 A180 D292 I422C173-K176 HydrophobicContact CB-CB 4.28Å; C173-K176 HydrophobicContact CB-CD 4.11Å; C173-K176 HydrophobicContact CB-CG 4.5Å; C173-K176 PolarHBondContact O-N 3.16Å; K176-Y179 WeakPolarHBondContact O-CB 3.31Å; K176-Y179 PolarHBondContact O-N 3.47Å; K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 3.06Å; K176-D292 HydrophobicContact CD-CB 4.37Å; K176-D292 WeakPolarHBondContact CD-O 3.47Å; K176-D292 VanDerWaalsContact CD-OD1 3.28Å; K176-D292 WeakPolarHBondContact CD-OD1 3.45Å; K176-D292 IonicContact NZ-OD1 3.1Å; K176-D292 PolarHBondContact NZ-OD1 2.82Å; K176-I422 HydrophobicContact CG-CD1 4.44Å
177R98.3Very high97.1Very high0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-66.6-37.7175.6-65.2-166.7-67.1-81.94.6112.2S169 C170 C173 F174 R181 F199 E246S169-R177 WeakPolarHBondContact OG-CG 3.48Å; S169-R177 PolarHBondContact OG-NH1 2.85Å; S169-R177 VanDerWaalsContact OG-NH1 3.09Å; C170-R177 PolarHBondContact O-NH1 2.82Å; C173-R177 PolarHBondContact O-N 3.11Å; C173-R177 VanDerWaalsContact O-N 3.12Å; C173-R177 PolarHBondContact O-NH1 2.87Å; F174-R177 PolarHBondContact O-N 3.33Å; R177-R181 WeakPolarHBondContact O-CG 3.47Å; R177-R181 PolarHBondContact O-N 3.02Å; R177-R181 VanDerWaalsContact O-N 3.12Å; R177-R181 PolarHBondContact O-NH1 3.38Å; R177-F199 HydrophobicContact CB-CD1 4.48Å; R177-F199 HydrophobicContact CB-CE1 4.12Å; R177-F199 HydrophobicContact CB-CE2 4.15Å; R177-F199 HydrophobicContact CB-CZ 3.94Å; R177-F199 HydrophobicContact CG-CD1 3.65Å; R177-F199 HydrophobicContact CG-CD2 4.28Å; R177-F199 HydrophobicContact CG-CE1 3.66Å; R177-F199 HydrophobicContact CG-CE2 4.28Å; R177-F199 HydrophobicContact CG-CG 3.97Å; R177-F199 HydrophobicContact CG-CZ 3.98Å; R177-E246 IonicContact CZ-OE1 3.41Å; R177-E246 IonicContact CZ-OE2 3.85Å; R177-E246 VanDerWaalsContact NE-CD 3.33Å; R177-E246 IonicContact NE-OE1 2.69Å; R177-E246 PolarHBondContact NE-OE1 3.09Å; R177-E246 IonicContact NE-OE2 3.55Å; R177-E246 PolarHBondContact NE-OE2 2.89Å; R177-E246 VanDerWaalsContact NE-OE2 3.1Å; R177-E246 IonicContact NH2-OE1 3.43Å; R177-E246 IonicContact NH2-OE2 2.77Å; R177-E246 PolarHBondContact NH2-OE2 3.48Å
178S98.3Very high97Very high51 Ų5140.2 Ų40.236%0.35721%0.212SC..Hα-helixtrans-63.3-46.6173.1-163.10000110.9F174 D175 A180 R181 D182F174-S178 PolarHBondContact O-N 3.31Å; D175-S178 PolarHBondContact O-N 3.3Å; S178-A180 PolarHBondContact O-N 3.37Å; S178-R181 WeakPolarHBondContact O-CB 3.28Å; S178-R181 PolarHBondContact O-N 2.97Å; S178-D182 PolarHBondContact O-N 3.49Å
179Y97.6Very high97Very high45 Ų4539.3 Ų39.318%0.17621%0.208CC..Hα-helixtrans-56.5-48.5176.2176.5-84.4000111.2D175 K176 R181 D182 T183 V295 I422 D426 W431D175-Y179 VanDerWaalsContact O-CB 3.32Å; D175-Y179 WeakPolarHBondContact O-CB 3.41Å; D175-Y179 PolarHBondContact O-N 3.15Å; K176-Y179 WeakPolarHBondContact O-CB 3.31Å; K176-Y179 PolarHBondContact O-N 3.47Å; Y179-R181 VanDerWaalsContact C-N 3.32Å; Y179-R181 PolarHBondContact O-N 3.31Å; Y179-D182 CarbonylContact O-C 3.23Å; Y179-D182 WeakPolarHBondContact O-CA 3.4Å; Y179-D182 PolarHBondContact O-N 3.28Å; Y179-T183 HydrophobicContact CD1-CG2 4.18Å; Y179-T183 HydrophobicContact CD2-CG2 4.16Å; Y179-T183 HydrophobicContact CE1-CG2 3.79Å; Y179-T183 WeakPolarHBondContact CE1-OG1 3.23Å; Y179-T183 HydrophobicContact CE2-CG2 3.81Å; Y179-T183 HydrophobicContact CG-CG2 4.34Å; Y179-T183 WeakPolarHBondContact O-CB 3.39Å; Y179-T183 WeakPolarHBondContact O-CG2 3.49Å; Y179-T183 PolarHBondContact O-N 3.45Å; Y179-T183 PolarHBondContact O-OG1 3.21Å; Y179-V295 HydrophobicContact CE1-CG1 3.76Å; Y179-I422 HydrophobicContact CD1-CD1 3.48Å; Y179-I422 VanDerWaalsContact CD1-CD1 3.48Å; Y179-I422 HydrophobicContact CD1-CG1 3.84Å; Y179-I422 HydrophobicContact CE1-CD1 3.81Å; Y179-I422 HydrophobicContact CE1-CG1 3.6Å; Y179-I422 HydrophobicContact CG-CD1 3.97Å; Y179-I422 HydrophobicContact CG-CG1 4.5Å; Y179-D426 WeakPolarHBondContact CE2-OD1 3.36Å; Y179-D426 PolarHBondContact OH-OD1 2.92Å; Y179-W431 PolarHBondContact OH-NE1 3.25Å
180A98.2Very high97Very high2 Ų239.4 Ų39.42%0.01721%0.208CC..Hα-helixtrans-56.3-44.9176.600000112.4K176 S178 D182 T183 Y184 M185 F199K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 3.06Å; S178-A180 PolarHBondContact O-N 3.37Å; A180-D182 VanDerWaalsContact C-N 3.26Å; A180-D182 PolarHBondContact O-N 2.93Å; A180-T183 PolarHBondContact O-N 3.12Å; A180-Y184 HydrophobicContact CB-CD1 4.3Å; A180-Y184 HydrophobicContact CB-CE1 3.42Å; A180-Y184 VanDerWaalsContact CB-CE1 3.42Å; A180-Y184 HydrophobicContact CB-CE2 4.44Å; A180-Y184 WeakPolarHBondContact CB-OH 3.32Å; A180-Y184 PolarHBondContact O-N 3.48Å; A180-M185 HydrophobicContact CB-CG 4.34Å; A180-M185 HydrophobicContact CB-SD 3.71Å; A180-M185 VanDerWaalsContact O-CB 3.25Å; A180-M185 WeakPolarHBondContact O-CB 3.45Å; A180-M185 VanDerWaalsContact O-CG 3.31Å; A180-M185 WeakPolarHBondContact O-CG 3.24Å; A180-M185 PolarHBondContact O-N 3.17Å; A180-F199 HydrophobicContact CB-CE1 4.28Å; A180-F199 HydrophobicContact CB-CZ 3.83Å
181R98.2Very high97Very high21 Ų2146.3 Ų46.38%0.07923%0.234CC..Hα-helixtrans-64.4-28175-70.2-178.3-166.9107.4-7.3113.6R177 S178 Y179 M185 K186 F199 E246 D252R177-R181 WeakPolarHBondContact O-CG 3.47Å; R177-R181 PolarHBondContact O-N 3.02Å; R177-R181 VanDerWaalsContact O-N 3.12Å; R177-R181 PolarHBondContact O-NH1 3.38Å; S178-R181 WeakPolarHBondContact O-CB 3.28Å; S178-R181 PolarHBondContact O-N 2.97Å; Y179-R181 VanDerWaalsContact C-N 3.32Å; Y179-R181 PolarHBondContact O-N 3.31Å; R181-M185 HydrophobicContact CG-CE 3.98Å; R181-M185 HydrophobicContact CG-SD 3.88Å; R181-K186 WeakPolarHBondContact O-CD 3.33Å; R181-K186 WeakPolarHBondContact O-CE 3.45Å; R181-K186 PolarHBondContact O-NZ 2.99Å; R181-F199 HydrophobicContact CG-CE2 4.38Å; R181-E246 IonicContact CZ-OE1 3.41Å; R181-E246 IonicContact NH1-OE1 3.3Å; R181-E246 PolarHBondContact NH1-OE1 2.73Å; R181-E246 IonicContact NH2-OE1 3.84Å; R181-E246 PolarHBondContact NH2-OE1 3.12Å; R181-E246 VanDerWaalsContact NH2-OE1 3.1Å; R181-D252 IonicContact CZ-OD1 3.06Å; R181-D252 IonicContact CZ-OD2 2.79Å; R181-D252 IonicContact NE-OD1 3.7Å; R181-D252 IonicContact NE-OD2 3.14Å; R181-D252 PolarHBondContact NE-OD2 2.87Å; R181-D252 IonicContact NH2-OD1 3.03Å; R181-D252 PolarHBondContact NH2-OD1 3.35Å; R181-D252 IonicContact NH2-OD2 3.73Å; R181-D252 PolarHBondContact NH2-OD2 2.79Å
182D97Very high97.1Very high94 Ų9451.4 Ų51.450%0.50326%0.262SS..Hα-helixtrans-89.3-12.3179-72.7-32.7000114.3S178 Y179 A180 K186S178-D182 PolarHBondContact O-N 3.49Å; Y179-D182 CarbonylContact O-C 3.23Å; Y179-D182 WeakPolarHBondContact O-CA 3.4Å; Y179-D182 PolarHBondContact O-N 3.28Å; A180-D182 VanDerWaalsContact C-N 3.26Å; A180-D182 PolarHBondContact O-N 2.93Å; D182-K186 WeakPolarHBondContact O-CE 3.36Å; D182-K186 IonicContact OD1-NZ 2.94Å; D182-K186 PolarHBondContact OD1-NZ 3.36Å
183T97.1Very high97.2Very high7 Ų751.2 Ų51.24%0.04326%0.261CS..THydrogen-bonded Turntrans-120.5-107.6-17658.80000111.6Y179 A180 M185 K186 L189 W431Y179-T183 HydrophobicContact CD1-CG2 4.18Å; Y179-T183 HydrophobicContact CD2-CG2 4.16Å; Y179-T183 HydrophobicContact CE1-CG2 3.79Å; Y179-T183 WeakPolarHBondContact CE1-OG1 3.23Å; Y179-T183 HydrophobicContact CE2-CG2 3.81Å; Y179-T183 HydrophobicContact CG-CG2 4.34Å; Y179-T183 WeakPolarHBondContact O-CB 3.39Å; Y179-T183 WeakPolarHBondContact O-CG2 3.49Å; Y179-T183 PolarHBondContact O-N 3.45Å; Y179-T183 PolarHBondContact O-OG1 3.21Å; A180-T183 PolarHBondContact O-N 3.12Å; T183-M185 PolarHBondContact O-N 3.48Å; T183-M185 VanDerWaalsContact O-N 3.13Å; T183-K186 WeakPolarHBondContact O-CB 3.4Å; T183-K186 WeakPolarHBondContact O-CG 3.31Å; T183-K186 PolarHBondContact O-N 3.46Å; T183-K186 VanDerWaalsContact O-N 3.08Å; T183-L189 VanDerWaalsContact O-CD1 3.26Å; T183-L189 WeakPolarHBondContact O-CD1 3.37Å; T183-W431 VanDerWaalsContact CB-CD2 3.44Å; T183-W431 HydrophobicContact CG2-CB 4.37Å; T183-W431 VanDerWaalsContact CG2-CD1 3.46Å; T183-W431 HydrophobicContact CG2-CD2 3.79Å; T183-W431 HydrophobicContact CG2-CG 3.63Å; T183-W431 HydrophobicContact CG2-CZ2 4.41Å
184Y96.8Very high97.3Very high4 Ų456 Ų562%0.01628%0.278CS..THydrogen-bonded Turntrans-67.4-15.9-168.767.7-92.5000114.3A180 W190 F197 V295 L296A180-Y184 HydrophobicContact CB-CD1 4.3Å; A180-Y184 HydrophobicContact CB-CE1 3.42Å; A180-Y184 VanDerWaalsContact CB-CE1 3.42Å; A180-Y184 HydrophobicContact CB-CE2 4.44Å; A180-Y184 WeakPolarHBondContact CB-OH 3.32Å; A180-Y184 PolarHBondContact O-N 3.48Å; Y184-W190 PolarHBondContact O-NE1 3.28Å; Y184-F197 AromaticContact CD2-CE1 3.76Å; Y184-F197 HydrophobicContact CD2-CE1 3.76Å; Y184-F197 HydrophobicContact CD2-CZ 4.12Å; Y184-F197 HydrophobicContact CE2-CD1 4.05Å; Y184-F197 AromaticContact CE2-CE1 3.63Å; Y184-F197 HydrophobicContact CE2-CE1 3.63Å; Y184-F197 HydrophobicContact CE2-CZ 4.41Å; Y184-V295 HydrophobicContact CD1-CB 3.6Å; Y184-V295 HydrophobicContact CD1-CG1 3.89Å; Y184-V295 HydrophobicContact CE1-CB 3.87Å; Y184-V295 HydrophobicContact CE1-CG1 3.9Å; Y184-V295 HydrophobicContact CG-CB 4.37Å; Y184-L296 WeakPolarHBondContact CB-O 3.35Å; Y184-L296 HydrophobicContact CD2-CB 4Å; Y184-L296 HydrophobicContact CD2-CG 4.17Å; Y184-L296 HydrophobicContact CE2-CG 4.27Å; Y184-L296 HydrophobicContact CG-CB 4.42Å
185M97.9Very high97.4Very high31 Ų3155.4 Ų55.415%0.15328%0.276CS..THydrogen-bonded Turntrans-85.9-3.8175.3-61.4173.364.500113.6A180 R181 T183 S187 F197 F199A180-M185 HydrophobicContact CB-CG 4.34Å; A180-M185 HydrophobicContact CB-SD 3.71Å; A180-M185 VanDerWaalsContact O-CB 3.25Å; A180-M185 WeakPolarHBondContact O-CB 3.45Å; A180-M185 VanDerWaalsContact O-CG 3.31Å; A180-M185 WeakPolarHBondContact O-CG 3.24Å; A180-M185 PolarHBondContact O-N 3.17Å; R181-M185 HydrophobicContact CG-CE 3.98Å; R181-M185 HydrophobicContact CG-SD 3.88Å; T183-M185 PolarHBondContact O-N 3.48Å; T183-M185 VanDerWaalsContact O-N 3.13Å; M185-S187 PolarHBondContact O-N 3Å; M185-F197 HydrophobicContact CB-CD2 4.12Å; M185-F197 HydrophobicContact CB-CE2 4.19Å; M185-F197 HydrophobicContact CB-CG 4.48Å; M185-F197 HydrophobicContact CE-CB 3.33Å; M185-F197 HydrophobicContact CE-CD2 4.21Å; M185-F197 HydrophobicContact CE-CG 3.84Å; M185-F197 HydrophobicContact CG-CB 4.32Å; M185-F197 HydrophobicContact CG-CD1 3.85Å; M185-F197 HydrophobicContact CG-CD2 3.88Å; M185-F197 HydrophobicContact CG-CE1 4.07Å; M185-F197 HydrophobicContact CG-CE2 4.1Å; M185-F197 HydrophobicContact CG-CG 3.75Å; M185-F197 HydrophobicContact CG-CZ 4.19Å; M185-F197 HydrophobicContact SD-CB 4.23Å; M185-F197 HydrophobicContact SD-CG 4.3Å; M185-F199 HydrophobicContact CE-CE2 3.75Å; M185-F199 HydrophobicContact CE-CZ 4.08Å; M185-F199 HydrophobicContact SD-CE2 3.76Å; M185-F199 HydrophobicContact SD-CZ 3.46Å; M185-F199 WeakPolarHBondContact SD-CZ 3.17Å
186K97.7Very high97.5Very high76 Ų7653.3 Ų53.333%0.3326%0.258SS..  trans-64.5125.8179-69-66.3-166.3-137.50110.8R181 D182 T183 H188 L189R181-K186 WeakPolarHBondContact O-CD 3.33Å; R181-K186 WeakPolarHBondContact O-CE 3.45Å; R181-K186 PolarHBondContact O-NZ 2.99Å; D182-K186 WeakPolarHBondContact O-CE 3.36Å; D182-K186 IonicContact OD1-NZ 2.94Å; D182-K186 PolarHBondContact OD1-NZ 3.36Å; T183-K186 WeakPolarHBondContact O-CB 3.4Å; T183-K186 WeakPolarHBondContact O-CG 3.31Å; T183-K186 PolarHBondContact O-N 3.46Å; T183-K186 VanDerWaalsContact O-N 3.08Å; K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 VanDerWaalsContact CB-CE1 3.47Å; K186-H188 WeakPolarHBondContact CB-CE1 3.11Å; K186-H188 PolarHBondContact O-N 3.11Å; K186-L189 HydrophobicContact CB-CD1 4.17Å; K186-L189 HydrophobicContact CB-CG 4.23Å; K186-L189 WeakPolarHBondContact O-CB 3.3Å; K186-L189 PolarHBondContact O-N 3.41Å; K186-L189 VanDerWaalsContact O-N 3.12Å
187S96.3Very high97.6Very high103 Ų10351.2 Ų51.272%0.7225%0.249SC*.G310 helixtrans-58.8-34.1-171.1570000114.3M185 L189 W190M185-S187 PolarHBondContact O-N 3Å; S187-L189 PolarHBondContact O-N 3.32Å; S187-W190 PolarHBondContact O-N 2.8Å; S187-W190 VanDerWaalsContact O-N 3.14Å
188H96.5Very high97.6Very high106 Ų10651.2 Ų51.249%0.49125%0.249SC..G310 helixtrans-65.5-24.8-178.770.2-75.2000113.1K186 W190 K432K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 VanDerWaalsContact CB-CE1 3.47Å; K186-H188 WeakPolarHBondContact CB-CE1 3.11Å; K186-H188 PolarHBondContact O-N 3.11Å; H188-W190 PolarHBondContact O-N 2.96Å; H188-K432 PolarHBondContact NE2-O 3.34Å; H188-K432 VanDerWaalsContact NE2-O 3.08Å
189L97.4Very high97.6Very high10 Ų1048.8 Ų48.85%0.05223%0.232CC..G310 helixtrans-70.9-21.6177.5-58-179.8000112.7T183 K186 S187 P298 W431T183-L189 VanDerWaalsContact O-CD1 3.26Å; T183-L189 WeakPolarHBondContact O-CD1 3.37Å; K186-L189 HydrophobicContact CB-CD1 4.17Å; K186-L189 HydrophobicContact CB-CG 4.23Å; K186-L189 WeakPolarHBondContact O-CB 3.3Å; K186-L189 PolarHBondContact O-N 3.41Å; K186-L189 VanDerWaalsContact O-N 3.12Å; S187-L189 PolarHBondContact O-N 3.32Å; L189-P298 HydrophobicContact CB-CB 3.96Å; L189-P298 HydrophobicContact CB-CG 3.84Å; L189-P298 HydrophobicContact CD1-CG 4.12Å; L189-W431 HydrophobicContact CD1-CE3 4.07Å
190W97.5Very high97.7Very high4 Ų446.7 Ų46.72%0.01522%0.224CC..G310 helixtrans-95.4-6.3-176.5-63.793.4000113.9Y184 S187 H188 D192 F193 I195 F197 L296 P298 T301 I302Y184-W190 PolarHBondContact O-NE1 3.28Å; S187-W190 PolarHBondContact O-N 2.8Å; S187-W190 VanDerWaalsContact O-N 3.14Å; H188-W190 PolarHBondContact O-N 2.96Å; W190-D192 PolarHBondContact O-N 2.97Å; W190-D192 VanDerWaalsContact O-N 3.13Å; W190-F193 AromaticContact CE3-CD1 3.64Å; W190-F193 HydrophobicContact CE3-CD1 3.64Å; W190-F193 HydrophobicContact CE3-CE1 4.23Å; W190-F193 HydrophobicContact CE3-CG 4.44Å; W190-F193 HydrophobicContact CZ3-CD1 4.06Å; W190-F193 HydrophobicContact CZ3-CE1 4.19Å; W190-F193 WeakPolarHBondContact O-CB 3.1Å; W190-F193 PolarHBondContact O-N 3.44Å; W190-I195 HydrophobicContact CB-CG2 4.03Å; W190-I195 HydrophobicContact CD2-CD1 4.01Å; W190-I195 HydrophobicContact CD2-CG2 3.69Å; W190-I195 HydrophobicContact CE3-CD1 3.77Å; W190-I195 HydrophobicContact CE3-CG2 4.09Å; W190-I195 HydrophobicContact CG-CG2 3.63Å; W190-I195 HydrophobicContact CH2-CD1 3.5Å; W190-I195 VanDerWaalsContact CH2-CD1 3.5Å; W190-I195 HydrophobicContact CZ2-CD1 3.79Å; W190-I195 HydrophobicContact CZ3-CD1 3.48Å; W190-I195 VanDerWaalsContact CZ3-CD1 3.48Å; W190-F197 AromaticContact CE2-CZ 3.79Å; W190-F197 HydrophobicContact CH2-CZ 4.4Å; W190-F197 HydrophobicContact CZ2-CE1 4.47Å; W190-F197 HydrophobicContact CZ2-CE2 4.4Å; W190-F197 AromaticContact CZ2-CZ 3.57Å; W190-F197 HydrophobicContact CZ2-CZ 3.57Å; W190-F197 AromaticContact NE1-CE2 3.89Å; W190-F197 AromaticContact NE1-CZ 3.83Å; W190-L296 HydrophobicContact CH2-CB 4.46Å; W190-L296 HydrophobicContact CH2-CD1 4.29Å; W190-L296 HydrophobicContact CZ2-CB 4.48Å; W190-P298 HydrophobicContact CD2-CB 4.03Å; W190-P298 HydrophobicContact CE3-CB 4.27Å; W190-P298 HydrophobicContact CH2-CB 4.14Å; W190-P298 HydrophobicContact CZ2-CB 3.83Å; W190-P298 HydrophobicContact CZ2-CG 3.93Å; W190-P298 HydrophobicContact CZ3-CB 4.35Å; W190-T301 HydrophobicContact CH2-CG2 3.82Å; W190-T301 HydrophobicContact CZ3-CG2 3.81Å; W190-I302 HydrophobicContact CE3-CD1 4.06Å; W190-I302 HydrophobicContact CE3-CG1 3.88Å; W190-I302 HydrophobicContact CZ3-CG1 4.11Å
191K95.8Very high97.7Very high178 Ų17846.6 Ų46.677%0.77422%0.223SC*.THydrogen-bonded Turntrans53.5-116.1176.7-55.1175.3-175.4176.10111.3
192D96.8Very high97.6Very high109 Ų10945.6 Ų45.658%0.58322%0.219SC*.THydrogen-bonded Turntrans-93-5178.966.7-44.7000113.6W190 R194 R306W190-D192 PolarHBondContact O-N 2.97Å; W190-D192 VanDerWaalsContact O-N 3.13Å; D192-R194 PolarHBondContact O-N 2.96Å; D192-R306 IonicContact OD1-CZ 2.92Å; D192-R306 IonicContact OD1-NH1 3.67Å; D192-R306 IonicContact OD1-NH2 2.66Å; D192-R306 PolarHBondContact OD1-NH2 2.76Å; D192-R306 IonicContact OD2-CZ 3.96Å; D192-R306 IonicContact OD2-NH2 2.68Å; D192-R306 PolarHBondContact OD2-NH2 2.88Å
193F98.2Very high97.6Very high9 Ų941.3 Ų41.34%0.03920%0.196CC..  trans-74120.6-179.3-168.3-99.2000110.9D162 L163 W190 I195 I302 V305D162-F193 HydrophobicContact CB-CD2 3.91Å; D162-F193 HydrophobicContact CB-CE1 4.16Å; D162-F193 HydrophobicContact CB-CE2 3.49Å; D162-F193 VanDerWaalsContact CB-CE2 3.49Å; D162-F193 HydrophobicContact CB-CG 4.41Å; D162-F193 HydrophobicContact CB-CZ 3.63Å; L163-F193 HydrophobicContact CB-CE1 3.72Å; L163-F193 HydrophobicContact CB-CZ 3.86Å; L163-F193 HydrophobicContact CD2-CE1 4.33Å; W190-F193 AromaticContact CE3-CD1 3.64Å; W190-F193 HydrophobicContact CE3-CD1 3.64Å; W190-F193 HydrophobicContact CE3-CE1 4.23Å; W190-F193 HydrophobicContact CE3-CG 4.44Å; W190-F193 HydrophobicContact CZ3-CD1 4.06Å; W190-F193 HydrophobicContact CZ3-CE1 4.19Å; W190-F193 WeakPolarHBondContact O-CB 3.1Å; W190-F193 PolarHBondContact O-N 3.44Å; F193-I195 HydrophobicContact CD1-CB 3.99Å; F193-I195 HydrophobicContact CE1-CB 4.18Å; F193-I195 HydrophobicContact CE1-CD1 4.23Å; F193-I195 PolarHBondContact O-N 2.99Å; F193-I302 HydrophobicContact CB-CD1 3.91Å; F193-I302 HydrophobicContact CB-CG1 3.79Å; F193-I302 HydrophobicContact CD1-CG1 4.08Å; F193-I302 HydrophobicContact CD2-CG1 4.05Å; F193-I302 HydrophobicContact CD2-CG2 4.23Å; F193-I302 HydrophobicContact CG-CD1 4.4Å; F193-I302 HydrophobicContact CG-CG1 3.72Å; F193-V305 HydrophobicContact CE2-CB 4.06Å; F193-V305 HydrophobicContact CE2-CG1 3.94Å; F193-V305 HydrophobicContact CZ-CB 3.9Å; F193-V305 HydrophobicContact CZ-CG1 3.83Å; F193-V305 HydrophobicContact CZ-CG2 4.14Å
194R98Very high97.4Very high108 Ų10841 Ų4141%0.40819%0.194SC..  trans-87.997.1-172.3-61.2173.2-61.3161.711.3109.8S160 L161 D162 L163 D192S160-R194 WeakPolarHBondContact O-CD 3.46Å; S160-R194 PolarHBondContact O-NE 3.5Å; S160-R194 PolarHBondContact O-NH1 2.79Å; S160-R194 PolarHBondContact OG-NH1 3.03Å; S160-R194 PolarHBondContact OG-NH2 3.09Å; S160-R194 VanDerWaalsContact OG-NH2 3.09Å; L161-R194 HydrophobicContact CD2-CB 4.13Å; D162-R194 PolarHBondContact N-O 3.47Å; D162-R194 IonicContact OD1-CZ 3.87Å; D162-R194 IonicContact OD1-NE 3.57Å; D162-R194 IonicContact OD1-NH2 2.82Å; D162-R194 PolarHBondContact OD1-NH2 3.45Å; D162-R194 PolarHBondContact OD2-N 3.32Å; D162-R194 IonicContact OD2-NE 3.6Å; L163-R194 PolarHBondContact N-O 3.48Å; D192-R194 PolarHBondContact O-N 2.96Å
195I98.4Very high97Very high13 Ų1341.6 Ų41.67%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-120.2148.7-176.5-167.7167.7000111.9L163 V165 W190 F193 F197L163-I195 HydrophobicContact CB-CG1 4.3Å; L163-I195 HydrophobicContact CD2-CD1 4Å; L163-I195 WeakPolarHBondContact O-CA 3.47Å; V165-I195 HydrophobicContact CG2-CD1 3.67Å; V165-I195 HydrophobicContact CG2-CG1 4.06Å; W190-I195 HydrophobicContact CB-CG2 4.03Å; W190-I195 HydrophobicContact CD2-CD1 4.01Å; W190-I195 HydrophobicContact CD2-CG2 3.69Å; W190-I195 HydrophobicContact CE3-CD1 3.77Å; W190-I195 HydrophobicContact CE3-CG2 4.09Å; W190-I195 HydrophobicContact CG-CG2 3.63Å; W190-I195 HydrophobicContact CH2-CD1 3.5Å; W190-I195 VanDerWaalsContact CH2-CD1 3.5Å; W190-I195 HydrophobicContact CZ2-CD1 3.79Å; W190-I195 HydrophobicContact CZ3-CD1 3.48Å; W190-I195 VanDerWaalsContact CZ3-CD1 3.48Å; F193-I195 HydrophobicContact CD1-CB 3.99Å; F193-I195 HydrophobicContact CE1-CB 4.18Å; F193-I195 HydrophobicContact CE1-CD1 4.23Å; F193-I195 PolarHBondContact O-N 2.99Å; I195-F197 HydrophobicContact CD1-CE1 4.23Å; I195-F197 HydrophobicContact CD1-CE2 3.91Å; I195-F197 HydrophobicContact CD1-CZ 3.59Å; I195-F197 HydrophobicContact CG1-CE2 3.99Å; I195-F197 HydrophobicContact CG1-CZ 4.15Å; I195-F197 HydrophobicContact CG2-CE2 3.96Å
196R98.3Very high96.3Very high89 Ų8942 Ų4234%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-129.8147.5166.6-65-65.2-179-117.62.8110.1S150 A151 E159 L161 L163 I164 V165S150-R196 VanDerWaalsContact O-CD 3.22Å; S150-R196 WeakPolarHBondContact O-CD 3.49Å; S150-R196 PolarHBondContact O-NE 3.08Å; A151-R196 HydrophobicContact CB-CB 3.77Å; A151-R196 HydrophobicContact CB-CG 4.11Å; E159-R196 IonicContact OE1-NE 3.73Å; E159-R196 IonicContact OE1-NH2 3.79Å; E159-R196 IonicContact OE2-CZ 3.55Å; E159-R196 IonicContact OE2-NE 3.72Å; E159-R196 IonicContact OE2-NH2 2.69Å; E159-R196 PolarHBondContact OE2-NH2 2.73Å; L161-R196 HydrophobicContact CD1-CB 4.23Å; L161-R196 HydrophobicContact CD1-CG 3.57Å; L161-R196 HydrophobicContact CD2-CG 3.97Å; L161-R196 HydrophobicContact CG-CG 4.44Å; L163-R196 PolarHBondContact O-N 2.86Å; I164-R196 WeakPolarHBondContact CA-O 3.49Å; V165-R196 PolarHBondContact N-O 2.71Å
197F98.7Very high95.5Very high15 Ų1545.4 Ų45.47%0.06623%0.225CC..EExtended strand (participates in β ladder)trans-117.7137.6177.2-65.5-92000109.1V165 Y184 M185 W190 I195 L296V165-F197 HydrophobicContact CB-CD1 3.54Å; V165-F197 HydrophobicContact CB-CE1 3.81Å; V165-F197 HydrophobicContact CB-CG 4.32Å; V165-F197 HydrophobicContact CG1-CD1 3.78Å; V165-F197 HydrophobicContact CG1-CE1 3.98Å; V165-F197 HydrophobicContact CG2-CD1 3.99Å; V165-F197 HydrophobicContact CG2-CE1 3.75Å; V165-F197 HydrophobicContact CG2-CZ 4.39Å; V165-F197 CarbonylContact O-C 3.59Å; V165-F197 WeakPolarHBondContact O-CA 3.39Å; Y184-F197 AromaticContact CD2-CE1 3.76Å; Y184-F197 HydrophobicContact CD2-CE1 3.76Å; Y184-F197 HydrophobicContact CD2-CZ 4.12Å; Y184-F197 HydrophobicContact CE2-CD1 4.05Å; Y184-F197 AromaticContact CE2-CE1 3.63Å; Y184-F197 HydrophobicContact CE2-CE1 3.63Å; Y184-F197 HydrophobicContact CE2-CZ 4.41Å; M185-F197 HydrophobicContact CB-CD2 4.12Å; M185-F197 HydrophobicContact CB-CE2 4.19Å; M185-F197 HydrophobicContact CB-CG 4.48Å; M185-F197 HydrophobicContact CE-CB 3.33Å; M185-F197 HydrophobicContact CE-CD2 4.21Å; M185-F197 HydrophobicContact CE-CG 3.84Å; M185-F197 HydrophobicContact CG-CB 4.32Å; M185-F197 HydrophobicContact CG-CD1 3.85Å; M185-F197 HydrophobicContact CG-CD2 3.88Å; M185-F197 HydrophobicContact CG-CE1 4.07Å; M185-F197 HydrophobicContact CG-CE2 4.1Å; M185-F197 HydrophobicContact CG-CG 3.75Å; M185-F197 HydrophobicContact CG-CZ 4.19Å; M185-F197 HydrophobicContact SD-CB 4.23Å; M185-F197 HydrophobicContact SD-CG 4.3Å; W190-F197 AromaticContact CE2-CZ 3.79Å; W190-F197 HydrophobicContact CH2-CZ 4.4Å; W190-F197 HydrophobicContact CZ2-CE1 4.47Å; W190-F197 HydrophobicContact CZ2-CE2 4.4Å; W190-F197 AromaticContact CZ2-CZ 3.57Å; W190-F197 HydrophobicContact CZ2-CZ 3.57Å; W190-F197 AromaticContact NE1-CE2 3.89Å; W190-F197 AromaticContact NE1-CZ 3.83Å; I195-F197 HydrophobicContact CD1-CE1 4.23Å; I195-F197 HydrophobicContact CD1-CE2 3.91Å; I195-F197 HydrophobicContact CD1-CZ 3.59Å; I195-F197 HydrophobicContact CG1-CE2 3.99Å; I195-F197 HydrophobicContact CG1-CZ 4.15Å; I195-F197 HydrophobicContact CG2-CE2 3.96Å; F197-L296 HydrophobicContact CE1-CD1 3.93Å
198V98.7Very high94.9Very high0 Ų042 Ų420%020%0.198CC..EExtended strand (participates in β ladder)trans-133.3123176.4175.30000108.9P148 A151 V165 I166 V167 V200 D252 L254 W275P148-V198 HydrophobicContact CB-CG1 4.07Å; P148-V198 HydrophobicContact CB-CG2 4.06Å; P148-V198 HydrophobicContact CG-CG1 3.81Å; P148-V198 HydrophobicContact CG-CG2 4.03Å; A151-V198 HydrophobicContact CB-CG2 3.63Å; V165-V198 PolarHBondContact O-N 2.93Å; I166-V198 WeakPolarHBondContact CA-O 3.32Å; V167-V198 PolarHBondContact N-O 2.95Å; V198-V200 HydrophobicContact CG1-CG2 4.4Å; V198-D252 CarbonylContact C-O 3.36Å; V198-D252 WeakPolarHBondContact CA-O 3.5Å; V198-L254 HydrophobicContact CG1-CB 3.72Å; V198-W275 HydrophobicContact CB-CH2 4.25Å; V198-W275 HydrophobicContact CB-CZ3 4.47Å; V198-W275 HydrophobicContact CG1-CH2 4.33Å; V198-W275 HydrophobicContact CG1-CZ3 4.4Å; V198-W275 HydrophobicContact CG2-CH2 3.62Å; V198-W275 HydrophobicContact CG2-CZ2 4.17Å; V198-W275 HydrophobicContact CG2-CZ3 4.3Å
199F98.8Very high94.4Very high1 Ų139.9 Ų39.90%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-85.5132170.3-65.6-73.2000109.9V167 R177 A180 R181 M185 D252 M253 L254V167-F199 HydrophobicContact CB-CD1 3.58Å; V167-F199 HydrophobicContact CB-CE1 3.85Å; V167-F199 HydrophobicContact CG1-CD1 3.71Å; V167-F199 HydrophobicContact CG1-CE1 3.73Å; V167-F199 HydrophobicContact CG2-CD1 4.26Å; V167-F199 HydrophobicContact CG2-CE1 4.13Å; V167-F199 WeakPolarHBondContact O-CA 3.48Å; R177-F199 HydrophobicContact CB-CD1 4.48Å; R177-F199 HydrophobicContact CB-CE1 4.12Å; R177-F199 HydrophobicContact CB-CE2 4.15Å; R177-F199 HydrophobicContact CB-CZ 3.94Å; R177-F199 HydrophobicContact CG-CD1 3.65Å; R177-F199 HydrophobicContact CG-CD2 4.28Å; R177-F199 HydrophobicContact CG-CE1 3.66Å; R177-F199 HydrophobicContact CG-CE2 4.28Å; R177-F199 HydrophobicContact CG-CG 3.97Å; R177-F199 HydrophobicContact CG-CZ 3.98Å; A180-F199 HydrophobicContact CB-CE1 4.28Å; A180-F199 HydrophobicContact CB-CZ 3.83Å; R181-F199 HydrophobicContact CG-CE2 4.38Å; M185-F199 HydrophobicContact CE-CE2 3.75Å; M185-F199 HydrophobicContact CE-CZ 4.08Å; M185-F199 HydrophobicContact SD-CE2 3.76Å; M185-F199 HydrophobicContact SD-CZ 3.46Å; M185-F199 WeakPolarHBondContact SD-CZ 3.17Å; F199-D252 PolarHBondContact N-O 2.89Å; F199-M253 HydrophobicContact CB-CE 3.83Å; F199-M253 HydrophobicContact CB-SD 3.56Å; F199-M253 VanDerWaalsContact CB-SD 3.56Å; F199-M253 HydrophobicContact CD2-SD 3.92Å; F199-M253 HydrophobicContact CG-SD 4.1Å; F199-L254 PolarHBondContact O-N 3.18Å
200V98.7Very high93.9Very high0 Ų041.2 Ų41.20%020%0.2CC..EExtended strand (participates in β ladder)trans-110.4122.8177.5-170.10000109.5I166 V167 S169 V198 L254 K268 L271I166-V200 HydrophobicContact CG2-CG2 3.47Å; I166-V200 VanDerWaalsContact CG2-CG2 3.47Å; V167-V200 PolarHBondContact O-N 3.34Å; S169-V200 PolarHBondContact N-O 3.23Å; S169-V200 VanDerWaalsContact N-O 3.08Å; V198-V200 HydrophobicContact CG1-CG2 4.4Å; V200-L254 WeakPolarHBondContact CA-O 3.22Å; V200-L254 HydrophobicContact CG1-CD2 4.28Å; V200-L254 HydrophobicContact CG2-CB 4.26Å; V200-L254 HydrophobicContact CG2-CD2 4.04Å; V200-K268 HydrophobicContact CG1-CB 4.24Å; V200-L271 HydrophobicContact CG1-CD2 3.84Å; V200-L271 HydrophobicContact CG1-CG 4.37Å
201V98.3Very high93.6Very high0 Ų043 Ų430%021%0.211CC..EExtended strand (participates in β ladder)trans-138.2163.2-179.3-59.40000110.9L243 M253 L254 V255 G256V201-L243 HydrophobicContact CG2-CD1 3.85Å; V201-L243 HydrophobicContact CG2-CD2 4.39Å; V201-M253 HydrophobicContact CB-CE 4.36Å; V201-M253 HydrophobicContact CG1-CE 3.77Å; V201-M253 HydrophobicContact CG2-CE 3.6Å; V201-L254 PolarHBondContact N-O 2.75Å; V201-V255 HydrophobicContact CG2-CB 4.41Å; V201-V255 HydrophobicContact CG2-CG1 4.31Å; V201-V255 HydrophobicContact CG2-CG2 3.8Å; V201-V255 WeakPolarHBondContact O-CA 3.38Å; V201-G256 PolarHBondContact O-N 3Å
202G97Very high93.3Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-101.4-156.4166.800000111.7F258 D260G202-F258 CarbonylContact C-O 3.52Å; G202-F258 WeakPolarHBondContact CA-O 3.33Å; G202-D260 PolarHBondContact N-OD2 2.91Å
203L95.7Very high93.1Very high4 Ų437.4 Ų37.42%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-101.1153.5175.1-63.4179.2000112.3M16 L17 W27 L34 V145 T205 V255 F258 D260M16-L203 HydrophobicContact CE-CD1 4.11Å; L17-L203 HydrophobicContact CD2-CD2 4.15Å; W27-L203 HydrophobicContact CH2-CB 4.23Å; W27-L203 HydrophobicContact CH2-CD1 4.34Å; W27-L203 HydrophobicContact CH2-CD2 4.2Å; W27-L203 HydrophobicContact CH2-CG 4.49Å; L34-L203 HydrophobicContact CD1-CD1 3.32Å; V145-L203 HydrophobicContact CG1-CD2 4.45Å; V145-L203 HydrophobicContact CG2-CD1 4.32Å; L203-T205 PolarHBondContact O-N 3.21Å; L203-V255 HydrophobicContact CD2-CG1 3.84Å; L203-F258 PolarHBondContact N-O 2.94Å; L203-D260 PolarHBondContact O-N 2.8Å
204P94.4Very high92.8Very high0 Ų039 Ų390%019%0.189CC..PPolyproline II helixtrans-57.4132.4172.3-20.229.2000112W27 I171 Y172 P206 R236 A239 A240W27-P204 HydrophobicContact CZ2-CB 4.31Å; W27-P204 HydrophobicContact CZ2-CG 4.15Å; I171-P204 HydrophobicContact CD1-CG 3.94Å; I171-P204 HydrophobicContact CG1-CB 4.3Å; I171-P204 HydrophobicContact CG1-CG 3.64Å; Y172-P204 HydrophobicContact CE1-CB 4.44Å; P204-P206 WeakPolarHBondContact O-CD 3.49Å; P204-R236 HydrophobicContact CB-CB 4.02Å; P204-A239 HydrophobicContact CG-CB 4.03Å; P204-A240 HydrophobicContact CG-CB 4.05Å
205T87.9Confident92.2Very high17 Ų1738.2 Ų38.210%0.10419%0.194CC..PPolyproline II helixtrans-79.5121173.7-47.40000110L203 N207 E208 R236 H259 T261L203-T205 PolarHBondContact O-N 3.21Å; T205-N207 PolarHBondContact O-N 3.31Å; T205-E208 HydrophobicContact CG2-CB 4.18Å; T205-E208 HydrophobicContact CG2-CG 4.37Å; T205-E208 PolarHBondContact O-N 3.25Å; T205-R236 PolarHBondContact O-NE 2.97Å; T205-R236 PolarHBondContact O-NH1 3.21Å; T205-H259 HydrophobicContact CG2-CB 4.38Å; T205-H259 WeakPolarHBondContact OG1-CB 3.34Å; T205-T261 WeakPolarHBondContact OG1-CG2 3.42Å
206P82.8Confident91.5Very high39 Ų3941.5 Ų41.525%0.25323%0.23SC..THydrogen-bonded Turntrans-54-48.8-179.3-27.234.2000113.4V31 P204V31-P206 HydrophobicContact CG1-CG 3.77Å; P204-P206 WeakPolarHBondContact O-CD 3.49Å
207N81.2Confident91Very high149 Ų14939 Ų3980%0.79722%0.224SC*.THydrogen-bonded Turntrans-112.949.9-178.2-65.4-24.5000111.3T205T205-N207 PolarHBondContact O-N 3.31Å
208E84.1Confident90.6Very high32 Ų3241.9 Ų41.915%0.1524%0.244CC..  trans-60.7141178.9-149.2-173.8155.600111.9Y172 T205 F226 S229 R236Y172-E208 WeakPolarHBondContact CE2-OE2 3.49Å; Y172-E208 PolarHBondContact OH-OE2 2.73Å; Y172-E208 VanDerWaalsContact OH-OE2 3.11Å; T205-E208 HydrophobicContact CG2-CB 4.18Å; T205-E208 HydrophobicContact CG2-CG 4.37Å; T205-E208 PolarHBondContact O-N 3.25Å; E208-F226 HydrophobicContact CB-CE2 3.85Å; E208-F226 HydrophobicContact CB-CZ 4.13Å; E208-F226 HydrophobicContact CG-CE2 3.79Å; E208-F226 WeakPolarHBondContact O-CZ 3.33Å; E208-S229 WeakPolarHBondContact OE2-CB 3.26Å; E208-S229 PolarHBondContact OE2-OG 2.97Å; E208-R236 VanDerWaalsContact CB-NH2 3.26Å; E208-R236 IonicContact OE2-CZ 3.33Å; E208-R236 IonicContact OE2-NH1 3.02Å; E208-R236 PolarHBondContact OE2-NH1 2.97Å; E208-R236 IonicContact OE2-NH2 2.72Å
209T85.6Confident90.2Very high60 Ų6042 Ų4237%0.36824%0.244SC..  trans-131.1153-179.4173.30000109.3V211 Y212T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 WeakPolarHBondContact CG2-O 3.31Å; T209-V211 PolarHBondContact OG1-N 2.95Å; T209-V211 PolarHBondContact OG1-O 3.21Å; T209-Y212 WeakPolarHBondContact O-CE2 3.12Å; T209-Y212 PolarHBondContact O-OH 3.36Å
210D87.2Confident89.7Confident39 Ų3945.9 Ų45.921%0.20927%0.265CS..SBendtrans-86.8-6.7168.761.1-24.6000112.4N220 L221 F226D210-N220 WeakPolarHBondContact O-CA 3.25Å; D210-L221 PolarHBondContact O-N 3.46Å; D210-F226 HydrophobicContact CB-CB 4.22Å; D210-F226 HydrophobicContact CB-CG 4.3Å
211V90Very high89.2Confident42 Ų4246.9 Ų46.926%0.25527%0.27SS..EExtended strand (participates in β ladder)trans-109.5121.6-179.7-172.10000110.8T209 T218 V219T209-V211 VanDerWaalsContact C-N 3.32Å; T209-V211 WeakPolarHBondContact CG2-O 3.31Å; T209-V211 PolarHBondContact OG1-N 2.95Å; T209-V211 PolarHBondContact OG1-O 3.21Å; V211-T218 HydrophobicContact CG1-CG2 3.41Å; V211-T218 VanDerWaalsContact CG1-CG2 3.41Å; V211-V219 WeakPolarHBondContact CA-O 3.33Å
212Y91.4Very high88.3Confident33 Ų3348.2 Ų48.213%0.12928%0.284CS..EExtended strand (participates in β ladder)trans-121.1153179.7-64.1-101000110.4T209 F214 T218 V219 L221 F263T209-Y212 WeakPolarHBondContact O-CE2 3.12Å; T209-Y212 PolarHBondContact O-OH 3.36Å; Y212-F214 HydrophobicContact CD1-CZ 4.09Å; Y212-F214 HydrophobicContact CG-CE2 4.22Å; Y212-F214 HydrophobicContact CG-CZ 4.19Å; Y212-T218 WeakPolarHBondContact O-CA 3.48Å; Y212-V219 PolarHBondContact N-O 2.9Å; Y212-V219 PolarHBondContact O-N 3.2Å; Y212-L221 HydrophobicContact CD2-CD1 4.25Å; Y212-L221 HydrophobicContact CD2-CG 4.27Å; Y212-L221 HydrophobicContact CE2-CD1 3.58Å; Y212-L221 HydrophobicContact CE2-CG 4.06Å; Y212-F263 AromaticContact CD1-CD2 3.58Å; Y212-F263 HydrophobicContact CD1-CD2 3.58Å; Y212-F263 HydrophobicContact CD1-CE2 4.11Å; Y212-F263 AromaticContact CD2-CD2 3.78Å; Y212-F263 HydrophobicContact CD2-CD2 3.78Å; Y212-F263 AromaticContact CD2-CE2 3.51Å; Y212-F263 HydrophobicContact CD2-CE2 3.51Å; Y212-F263 AromaticContact CE1-CD2 3.87Å; Y212-F263 HydrophobicContact CE1-CD2 3.87Å; Y212-F263 HydrophobicContact CE2-CD2 4.08Å; Y212-F263 HydrophobicContact CE2-CE2 4.06Å; Y212-F263 AromaticContact CG-CD2 3.53Å; Y212-F263 HydrophobicContact CG-CD2 3.53Å; Y212-F263 AromaticContact CG-CE2 3.55Å; Y212-F263 HydrophobicContact CG-CE2 3.55Å
213H92Very high86.9Confident135 Ų13557.8 Ų57.863%0.62532%0.32SS*.EExtended strand (participates in β ladder)trans-126.3117.2-176-63.146.7000108.6V217H213-V217 WeakPolarHBondContact CA-O 3.3Å
214F90.7Very high85.8Confident43 Ų4365.1 Ų65.119%0.18936%0.359CS..EExtended strand (participates in β ladder)trans-129.4118-179.6-56.4-69.3000108.9Y212 G216 V217 V219 F263 R381Y212-F214 HydrophobicContact CD1-CZ 4.09Å; Y212-F214 HydrophobicContact CG-CE2 4.22Å; Y212-F214 HydrophobicContact CG-CZ 4.19Å; F214-G216 PolarHBondContact O-N 3.33Å; F214-G216 VanDerWaalsContact O-N 3.14Å; F214-V217 PolarHBondContact N-O 3.32Å; F214-V217 WeakPolarHBondContact O-CA 3.45Å; F214-V217 VanDerWaalsContact O-CB 3.32Å; F214-V217 WeakPolarHBondContact O-CB 3.26Å; F214-V217 PolarHBondContact O-N 2.89Å; F214-V219 HydrophobicContact CD2-CG2 4.05Å; F214-F263 HydrophobicContact CE2-CD1 4.12Å; F214-F263 AromaticContact CE2-CD2 3.75Å; F214-F263 HydrophobicContact CE2-CD2 3.75Å; F214-F263 HydrophobicContact CE2-CE1 4.08Å; F214-F263 AromaticContact CE2-CE2 3.7Å; F214-F263 HydrophobicContact CE2-CE2 3.7Å; F214-F263 AromaticContact CE2-CG 3.96Å; F214-F263 HydrophobicContact CE2-CG 3.96Å; F214-F263 AromaticContact CE2-CZ 3.87Å; F214-F263 HydrophobicContact CE2-CZ 3.87Å; F214-F263 HydrophobicContact CZ-CB 3.96Å; F214-F263 HydrophobicContact CZ-CD1 4.07Å; F214-F263 AromaticContact CZ-CD2 3.57Å; F214-F263 HydrophobicContact CZ-CD2 3.57Å; F214-F263 HydrophobicContact CZ-CE1 4.49Å; F214-F263 HydrophobicContact CZ-CE2 4.03Å; F214-F263 AromaticContact CZ-CG 3.58Å; F214-F263 HydrophobicContact CZ-CG 3.58Å; F214-F263 HydrophobicContact CZ-CZ 4.47Å; F214-R381 VanDerWaalsContact CD1-CD 3.45Å; F214-R381 VanDerWaalsContact CD2-CZ 3.47Å; F214-R381 VanDerWaalsContact CG-CZ 3.41Å
215D85.6Confident84.6Confident92 Ų9268.4 Ų68.449%0.49239%0.386SS..THydrogen-bonded Turntrans4744.9179.4-60.9-25.9000114.2V217 S342D215-V217 VanDerWaalsContact C-N 3.25Å; D215-V217 PolarHBondContact O-N 3.37Å; D215-S342 WeakPolarHBondContact OD2-CB 3.37Å; D215-S342 PolarHBondContact OD2-OG 3.29Å
216G85.5Confident83.9Confident81 Ų8168.5 Ų68.584%0.83539%0.386SS*.THydrogen-bonded Turntrans78.8-0.9-17900000115.3F214F214-G216 PolarHBondContact O-N 3.33Å; F214-G216 VanDerWaalsContact O-N 3.14Å
217V86.9Confident84Confident36 Ų3668.2 Ų68.222%0.21839%0.39CS..EExtended strand (participates in β ladder)trans-96.8125.7177.4-178.60000109.9H213 F214 D215 V219 P330H213-V217 WeakPolarHBondContact CA-O 3.3Å; F214-V217 PolarHBondContact N-O 3.32Å; F214-V217 WeakPolarHBondContact O-CA 3.45Å; F214-V217 VanDerWaalsContact O-CB 3.32Å; F214-V217 WeakPolarHBondContact O-CB 3.26Å; F214-V217 PolarHBondContact O-N 2.89Å; D215-V217 VanDerWaalsContact C-N 3.25Å; D215-V217 PolarHBondContact O-N 3.37Å; V217-V219 HydrophobicContact CG1-CG2 4.23Å; V217-P330 HydrophobicContact CB-CB 4.29Å; V217-P330 HydrophobicContact CB-CG 4.37Å; V217-P330 HydrophobicContact CG1-CB 3.83Å; V217-P330 HydrophobicContact CG1-CG 4.13Å; V217-P330 HydrophobicContact CG2-CB 3.54Å; V217-P330 HydrophobicContact CG2-CG 3.73Å
218T90.6Very high84.3Confident76 Ų7664.3 Ų64.347%0.46637%0.368SS..EExtended strand (participates in β ladder)trans-87.7123.7173.8-59.20000109.9V211 Y212V211-T218 HydrophobicContact CG1-CG2 3.41Å; V211-T218 VanDerWaalsContact CG1-CG2 3.41Å; Y212-T218 WeakPolarHBondContact O-CA 3.48Å
219V90.3Very high84.4Confident2 Ų262.9 Ų62.91%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-115.8125.9179.3-178.80000109.2V211 Y212 F214 V217 F263 L337 R338V211-V219 WeakPolarHBondContact CA-O 3.33Å; Y212-V219 PolarHBondContact N-O 2.9Å; Y212-V219 PolarHBondContact O-N 3.2Å; F214-V219 HydrophobicContact CD2-CG2 4.05Å; V217-V219 HydrophobicContact CG1-CG2 4.23Å; V219-F263 HydrophobicContact CG1-CE2 4.45Å; V219-F263 HydrophobicContact CG1-CZ 3.84Å; V219-L337 HydrophobicContact CG2-CB 4.49Å; V219-R338 HydrophobicContact CG1-CG 4.25Å
220N88.8Confident84.5Confident84 Ų8465 Ų6545%0.44937%0.366SS..EExtended strand (participates in β ladder)trans-108.3123.4174.3-169.5-42.6000109.8D210 G222D210-N220 WeakPolarHBondContact O-CA 3.25Å; N220-G222 PolarHBondContact O-N 3.38Å; N220-G222 WeakPolarHBondContact OD1-CA 3.45Å; N220-G222 PolarHBondContact OD1-N 2.81Å
221L87.1Confident84.6Confident20 Ų2069.5 Ų69.511%0.10539%0.389CS..  trans-72.5-12.5179.1-66.9-179.9000113.8D210 Y212 A225 Y262 F263 R338D210-L221 PolarHBondContact O-N 3.46Å; Y212-L221 HydrophobicContact CD2-CD1 4.25Å; Y212-L221 HydrophobicContact CD2-CG 4.27Å; Y212-L221 HydrophobicContact CE2-CD1 3.58Å; Y212-L221 HydrophobicContact CE2-CG 4.06Å; L221-A225 HydrophobicContact CB-CB 3.86Å; L221-A225 WeakPolarHBondContact O-CB 3.49Å; L221-Y262 HydrophobicContact CD1-CG 4.3Å; L221-Y262 HydrophobicContact CD2-CD1 3.72Å; L221-Y262 HydrophobicContact CD2-CE1 4.33Å; L221-Y262 HydrophobicContact CD2-CG 4.03Å; L221-F263 HydrophobicContact CD1-CE2 4.33Å; L221-F263 HydrophobicContact CD2-CE2 3.67Å; L221-F263 HydrophobicContact CD2-CZ 3.66Å; L221-F263 HydrophobicContact CG-CE2 4.12Å; L221-R338 HydrophobicContact CD2-CG 4.01Å
222G80.6Confident84.6Confident28 Ų2868.7 Ų68.729%0.28938%0.382SS..  trans88158.6-178.200000113.2N220 N224 A225N220-G222 PolarHBondContact O-N 3.38Å; N220-G222 WeakPolarHBondContact OD1-CA 3.45Å; N220-G222 PolarHBondContact OD1-N 2.81Å; G222-N224 VanDerWaalsContact C-N 3.29Å; G222-N224 PolarHBondContact O-N 2.91Å; G222-A225 PolarHBondContact O-N 3.43Å
223R67.7Low84.3Confident202 Ų20274 Ų7476%0.76241%0.406SS*.THydrogen-bonded Turntrans-61.1-33.3-173.2-68.8-174.4-178.1-174.62.8114G227R223-G227 PolarHBondContact O-N 2.89Å
224N71.9Confident83.9Confident157 Ų15775.2 Ų75.284%0.8442%0.417SS*.THydrogen-bonded Turntrans-72.1-39.1-176.5-68.6-4.8000111.7G222 F226 G227G222-N224 VanDerWaalsContact C-N 3.29Å; G222-N224 PolarHBondContact O-N 2.91Å; N224-F226 PolarHBondContact O-N 3.27Å; N224-F226 VanDerWaalsContact O-N 3.15Å; N224-G227 PolarHBondContact O-N 3.02Å
225A68.9Low83.8Confident69 Ų6973.8 Ų73.857%0.5741%0.412SS*.THydrogen-bonded Turntrans-59-29.3177.900000112.4L221 G222L221-A225 HydrophobicContact CB-CB 3.86Å; L221-A225 WeakPolarHBondContact O-CB 3.49Å; G222-A225 PolarHBondContact O-N 3.43Å
226F73.3Confident84.1Confident20 Ų2070.2 Ų70.29%0.08839%0.392CS..THydrogen-bonded Turntrans-962-179.1-154.7-120000114.1E208 D210 N224 L228 S229 K230E208-F226 HydrophobicContact CB-CE2 3.85Å; E208-F226 HydrophobicContact CB-CZ 4.13Å; E208-F226 HydrophobicContact CG-CE2 3.79Å; E208-F226 WeakPolarHBondContact O-CZ 3.33Å; D210-F226 HydrophobicContact CB-CB 4.22Å; D210-F226 HydrophobicContact CB-CG 4.3Å; N224-F226 PolarHBondContact O-N 3.27Å; N224-F226 VanDerWaalsContact O-N 3.15Å; F226-L228 PolarHBondContact O-N 3.03Å; F226-S229 VanDerWaalsContact CE2-CB 3.47Å; F226-S229 WeakPolarHBondContact CE2-OG 3.32Å; F226-S229 WeakPolarHBondContact CZ-OG 3.47Å; F226-S229 PolarHBondContact O-N 3.13Å; F226-K230 HydrophobicContact CD1-CD 4.22Å; F226-K230 HydrophobicContact CD1-CG 3.53Å; F226-K230 HydrophobicContact CE1-CG 3.88Å; F226-K230 HydrophobicContact CG-CG 4.48Å; F226-K230 WeakPolarHBondContact O-CG 3.42Å; F226-K230 PolarHBondContact O-N 3.26Å
227G84.3Confident84.5Confident33 Ų3368.8 Ų68.834%0.3436%0.361SS..Hα-helixtrans-56-49.9-173.200000113.2R223 N224 K230R223-G227 PolarHBondContact O-N 2.89Å; N224-G227 PolarHBondContact O-N 3.02Å; G227-K230 PolarHBondContact O-N 2.74Å
228L87.8Confident84.9Confident66 Ų6670.7 Ų70.735%0.34637%0.369SS..Hα-helixtrans-68.6-40178.6-65176.8000112.3F226 K230 L231 Y232F226-L228 PolarHBondContact O-N 3.03Å; L228-K230 VanDerWaalsContact C-N 3.28Å; L228-K230 PolarHBondContact O-N 3.46Å; L228-L231 HydrophobicContact CD2-CD1 4.2Å; L228-L231 WeakPolarHBondContact O-CB 3.27Å; L228-L231 PolarHBondContact O-N 3.33Å; L228-L231 VanDerWaalsContact O-N 3.14Å; L228-Y232 WeakPolarHBondContact O-CD2 3.32Å
229S87.2Confident85.1Confident2 Ų267.1 Ų67.11%0.01435%0.347CS..Hα-helixtrans-59.9-38.4177.9-175.50000112E208 F226 L231 Y232 K233 R236E208-S229 WeakPolarHBondContact OE2-CB 3.26Å; E208-S229 PolarHBondContact OE2-OG 2.97Å; F226-S229 VanDerWaalsContact CE2-CB 3.47Å; F226-S229 WeakPolarHBondContact CE2-OG 3.32Å; F226-S229 WeakPolarHBondContact CZ-OG 3.47Å; F226-S229 PolarHBondContact O-N 3.13Å; S229-L231 VanDerWaalsContact C-N 3.26Å; S229-L231 PolarHBondContact O-N 2.94Å; S229-Y232 CarbonylContact O-C 3.57Å; S229-Y232 PolarHBondContact O-N 3.23Å; S229-K233 PolarHBondContact O-N 3.09Å; S229-K233 VanDerWaalsContact O-N 3.13Å; S229-R236 PolarHBondContact OG-NH1 3.07Å; S229-R236 PolarHBondContact OG-NH2 3.32Å
230K87.7Confident85.4Confident106 Ų10667 Ų6746%0.46135%0.347SS..Hα-helixtrans-58.3-34.5176.1-73.9177.2-174176.30113.4F226 G227 L228 Y232 K233F226-K230 HydrophobicContact CD1-CD 4.22Å; F226-K230 HydrophobicContact CD1-CG 3.53Å; F226-K230 HydrophobicContact CE1-CG 3.88Å; F226-K230 HydrophobicContact CG-CG 4.48Å; F226-K230 WeakPolarHBondContact O-CG 3.42Å; F226-K230 PolarHBondContact O-N 3.26Å; G227-K230 PolarHBondContact O-N 2.74Å; L228-K230 VanDerWaalsContact C-N 3.28Å; L228-K230 PolarHBondContact O-N 3.46Å; K230-Y232 PolarHBondContact O-N 2.92Å; K230-K233 WeakPolarHBondContact O-CB 3.37Å; K230-K233 PolarHBondContact O-N 3.43Å
231L88.7Confident85.7Confident132 Ų13267.1 Ų67.169%0.69134%0.343SS*.Hα-helixtrans-61.8-25.9177.6-58.4176.5000112.2L228 S229L228-L231 HydrophobicContact CD2-CD1 4.2Å; L228-L231 WeakPolarHBondContact O-CB 3.27Å; L228-L231 PolarHBondContact O-N 3.33Å; L228-L231 VanDerWaalsContact O-N 3.14Å; S229-L231 VanDerWaalsContact C-N 3.26Å; S229-L231 PolarHBondContact O-N 2.94Å
232Y90Very high86.2Confident26 Ų2670.8 Ų70.810%0.10236%0.358CS..THydrogen-bonded Turntrans-1085.3-179.6-60.8-82.8000113.2Y172 F174 L228 S229 K230 N234 S235 R236 I238 A239 K242Y172-Y232 AromaticContact CD1-CD2 3.43Å; Y172-Y232 HydrophobicContact CD1-CD2 3.43Å; Y172-Y232 VanDerWaalsContact CD1-CD2 3.43Å; Y172-Y232 AromaticContact CD1-CE2 3.95Å; Y172-Y232 HydrophobicContact CD1-CE2 3.95Å; Y172-Y232 AromaticContact CD1-CG 3.98Å; Y172-Y232 HydrophobicContact CD1-CG 3.98Å; Y172-Y232 HydrophobicContact CE1-CD2 4.11Å; Y172-Y232 HydrophobicContact CE1-CG 4.25Å; Y172-Y232 HydrophobicContact CG-CD2 4.08Å; Y172-Y232 HydrophobicContact CG-CE2 4.45Å; F174-Y232 HydrophobicContact CE2-CE2 4.39Å; L228-Y232 WeakPolarHBondContact O-CD2 3.32Å; S229-Y232 CarbonylContact O-C 3.57Å; S229-Y232 PolarHBondContact O-N 3.23Å; K230-Y232 PolarHBondContact O-N 2.92Å; Y232-N234 PolarHBondContact O-N 2.8Å; Y232-N234 VanDerWaalsContact O-N 3.15Å; Y232-S235 CarbonylContact O-C 3.57Å; Y232-S235 PolarHBondContact O-N 3.34Å; Y232-R236 WeakPolarHBondContact O-CD 3.41Å; Y232-R236 PolarHBondContact O-N 3.02Å; Y232-I238 HydrophobicContact CD1-CB 4.33Å; Y232-I238 HydrophobicContact CD1-CG2 4.11Å; Y232-I238 HydrophobicContact CE1-CG2 4Å; Y232-A239 HydrophobicContact CD1-CB 3.74Å; Y232-A239 HydrophobicContact CE1-CB 4.18Å; Y232-A239 HydrophobicContact CG-CB 3.94Å; Y232-K242 HydrophobicContact CE1-CD 4.11Å; Y232-K242 PolarHBondContact OH-NZ 3.28Å
233K84.2Confident87Confident144 Ų14469.5 Ų69.563%0.62635%0.345SS*.THydrogen-bonded Turntrans-55-38.1-175.1-177.6179.6177.4-178.10113S229 K230 S235S229-K233 PolarHBondContact O-N 3.09Å; S229-K233 VanDerWaalsContact O-N 3.13Å; K230-K233 WeakPolarHBondContact O-CB 3.37Å; K230-K233 PolarHBondContact O-N 3.43Å; K233-S235 VanDerWaalsContact C-N 3.32Å; K233-S235 PolarHBondContact O-N 3.02Å
234N84.8Confident88.3Confident161 Ų16161.9 Ų61.986%0.86132%0.316SS*.THydrogen-bonded Turntrans-74.4-21.6-176.9-66.2-16.8000113.3Y232Y232-N234 PolarHBondContact O-N 2.8Å; Y232-N234 VanDerWaalsContact O-N 3.15Å
235S88.5Confident89.5Confident13 Ų1357.5 Ų57.59%0.09129%0.293CS..  trans-162.1100.2175.8-170.10000111E24 Y232 K233 W237 I238E24-S235 VanDerWaalsContact CD-OG 3.23Å; E24-S235 WeakPolarHBondContact OE1-CB 3.39Å; E24-S235 PolarHBondContact OE1-OG 3.39Å; Y232-S235 CarbonylContact O-C 3.57Å; Y232-S235 PolarHBondContact O-N 3.34Å; K233-S235 VanDerWaalsContact C-N 3.32Å; K233-S235 PolarHBondContact O-N 3.02Å; S235-W237 PolarHBondContact O-N 3.16Å; S235-I238 PolarHBondContact O-N 3.09Å; S235-I238 VanDerWaalsContact O-N 3.16Å
236R92Very high90.9Very high16 Ų1655 Ų556%0.0627%0.27CS..Hα-helixtrans-64.1-24.5175.3-57.7-54.5-178.5131.3-4.5112.6Y172 P204 T205 E208 S229 Y232 I238 A239 A240Y172-R236 PolarHBondContact OH-NH1 2.7Å; P204-R236 HydrophobicContact CB-CB 4.02Å; T205-R236 PolarHBondContact O-NE 2.97Å; T205-R236 PolarHBondContact O-NH1 3.21Å; E208-R236 VanDerWaalsContact CB-NH2 3.26Å; E208-R236 IonicContact OE2-CZ 3.33Å; E208-R236 IonicContact OE2-NH1 3.02Å; E208-R236 PolarHBondContact OE2-NH1 2.97Å; E208-R236 IonicContact OE2-NH2 2.72Å; S229-R236 PolarHBondContact OG-NH1 3.07Å; S229-R236 PolarHBondContact OG-NH2 3.32Å; Y232-R236 WeakPolarHBondContact O-CD 3.41Å; Y232-R236 PolarHBondContact O-N 3.02Å; R236-I238 PolarHBondContact O-N 3.11Å; R236-A239 WeakPolarHBondContact O-CB 3.45Å; R236-A239 PolarHBondContact O-N 3Å; R236-A239 VanDerWaalsContact O-N 3.11Å; R236-A240 PolarHBondContact O-N 3.14Å; R236-A240 VanDerWaalsContact O-N 3.09Å
237W94Very high92Very high52 Ų5254.1 Ų54.120%0.19727%0.266CS..Hα-helixtrans-55.8-37.5172.8166.467.6000112.6T21 S23 E24 W27 S235 A239 A240 K241T21-W237 PolarHBondContact O-NE1 3.28Å; S23-W237 PolarHBondContact O-NE1 2.9Å; E24-W237 HydrophobicContact CB-CB 4.04Å; E24-W237 HydrophobicContact CB-CD2 3.99Å; E24-W237 HydrophobicContact CB-CE3 4.14Å; E24-W237 HydrophobicContact CB-CG 3.95Å; E24-W237 HydrophobicContact CG-CB 4Å; E24-W237 HydrophobicContact CG-CG 4.45Å; W27-W237 HydrophobicContact CB-CB 4.15Å; W27-W237 HydrophobicContact CB-CG 4.24Å; W27-W237 HydrophobicContact CG-CB 4.09Å; S235-W237 PolarHBondContact O-N 3.16Å; W237-A239 VanDerWaalsContact C-N 3.31Å; W237-A239 PolarHBondContact O-N 3.23Å; W237-A240 PolarHBondContact O-N 3.4Å; W237-K241 HydrophobicContact CH2-CD 4.27Å; W237-K241 HydrophobicContact CZ2-CD 3.82Å; W237-K241 WeakPolarHBondContact O-CB 3.41Å; W237-K241 PolarHBondContact O-N 2.94Å
238I94.5Very high92.4Very high76 Ų7658.7 Ų58.739%0.3927%0.273SS..Hα-helixtrans-61.4-41.7177.1-65.4169.9000110.9Y232 S235 R236 K241 K242Y232-I238 HydrophobicContact CD1-CB 4.33Å; Y232-I238 HydrophobicContact CD1-CG2 4.11Å; Y232-I238 HydrophobicContact CE1-CG2 4Å; S235-I238 PolarHBondContact O-N 3.09Å; S235-I238 VanDerWaalsContact O-N 3.16Å; R236-I238 PolarHBondContact O-N 3.11Å; I238-K241 PolarHBondContact O-N 2.8Å; I238-K242 WeakPolarHBondContact O-CG 3.45Å; I238-K242 PolarHBondContact O-N 3.28Å
239A95.5Very high92.8Very high0 Ų062.8 Ų62.80%029%0.288CS..Hα-helixtrans-65.4-44.2176.100000111.4Y172 P204 Y232 R236 W237 K241 K242 L243Y172-A239 HydrophobicContact CD1-CB 3.86Å; Y172-A239 HydrophobicContact CE1-CB 3.62Å; P204-A239 HydrophobicContact CG-CB 4.03Å; Y232-A239 HydrophobicContact CD1-CB 3.74Å; Y232-A239 HydrophobicContact CE1-CB 4.18Å; Y232-A239 HydrophobicContact CG-CB 3.94Å; R236-A239 WeakPolarHBondContact O-CB 3.45Å; R236-A239 PolarHBondContact O-N 3Å; R236-A239 VanDerWaalsContact O-N 3.11Å; W237-A239 VanDerWaalsContact C-N 3.31Å; W237-A239 PolarHBondContact O-N 3.23Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 3.35Å; A239-K242 PolarHBondContact O-N 2.93Å; A239-L243 WeakPolarHBondContact O-CB 3.16Å; A239-L243 PolarHBondContact O-N 2.69Å
240A95.9Very high93.3Very high0 Ų066.3 Ų66.30%030%0.303CS..Hα-helixtrans-60.1-41.7175.400000112T21 W27 P204 R236 W237 L243 Y244T21-A240 HydrophobicContact CG2-CB 3.84Å; W27-A240 HydrophobicContact CD2-CB 3.91Å; W27-A240 HydrophobicContact CE3-CB 3.73Å; W27-A240 HydrophobicContact CH2-CB 3.78Å; W27-A240 HydrophobicContact CZ2-CB 3.94Å; W27-A240 HydrophobicContact CZ3-CB 3.67Å; P204-A240 HydrophobicContact CG-CB 4.05Å; R236-A240 PolarHBondContact O-N 3.14Å; R236-A240 VanDerWaalsContact O-N 3.09Å; W237-A240 PolarHBondContact O-N 3.4Å; A240-L243 WeakPolarHBondContact O-CB 3.46Å; A240-L243 PolarHBondContact O-N 3.36Å; A240-Y244 PolarHBondContact O-N 2.89Å
241K96.2Very high93.7Very high87 Ų8764.3 Ų64.338%0.37830%0.297SS..Hα-helixtrans-65.3-43.6177.1-171.5174.9-178.7177.30111.9T21 W237 I238 A239 L243 Y244 D245T21-K241 HydrophobicContact CG2-CB 4.36Å; W237-K241 HydrophobicContact CH2-CD 4.27Å; W237-K241 HydrophobicContact CZ2-CD 3.82Å; W237-K241 WeakPolarHBondContact O-CB 3.41Å; W237-K241 PolarHBondContact O-N 2.94Å; I238-K241 PolarHBondContact O-N 2.8Å; A239-K241 VanDerWaalsContact C-N 3.32Å; A239-K241 PolarHBondContact O-N 3.35Å; K241-L243 VanDerWaalsContact C-N 3.35Å; K241-L243 PolarHBondContact O-N 3.44Å; K241-Y244 WeakPolarHBondContact O-CB 3.41Å; K241-Y244 PolarHBondContact O-N 3.18Å; K241-D245 PolarHBondContact O-N 2.73Å
242K96.5Very high94.1Very high97 Ų9758.4 Ų58.442%0.42227%0.266SS..Hα-helixtrans-60.9-43173.1-77-172.5177.5-1730112F174 Y232 I238 A239 Y244 D245 E246F174-K242 HydrophobicContact CD1-CB 4.37Å; F174-K242 HydrophobicContact CD2-CD 4.47Å; F174-K242 HydrophobicContact CE1-CB 3.66Å; F174-K242 HydrophobicContact CE2-CB 4.2Å; F174-K242 HydrophobicContact CE2-CD 4.25Å; F174-K242 HydrophobicContact CZ-CB 3.57Å; F174-K242 HydrophobicContact CZ-CD 4.43Å; Y232-K242 HydrophobicContact CE1-CD 4.11Å; Y232-K242 PolarHBondContact OH-NZ 3.28Å; I238-K242 WeakPolarHBondContact O-CG 3.45Å; I238-K242 PolarHBondContact O-N 3.28Å; A239-K242 PolarHBondContact O-N 2.93Å; K242-Y244 VanDerWaalsContact C-N 3.33Å; K242-Y244 PolarHBondContact O-N 3.35Å; K242-D245 PolarHBondContact O-N 2.73Å; K242-E246 VanDerWaalsContact O-CB 3.31Å; K242-E246 WeakPolarHBondContact O-CB 3.45Å; K242-E246 PolarHBondContact O-N 2.96Å
243L97.2Very high94.5Very high0 Ų057.2 Ų57.20%026%0.262CS..Hα-helixtrans-59.1-44.7175175.569.5000111.3L17 I171 F174 V201 A239 A240 K241 E246 S247 M253 V255L17-L243 HydrophobicContact CD1-CD2 4.19Å; L17-L243 HydrophobicContact CD1-CG 4.33Å; L17-L243 HydrophobicContact CD2-CD2 4.44Å; I171-L243 HydrophobicContact CD1-CB 4.05Å; I171-L243 HydrophobicContact CD1-CD1 4.32Å; I171-L243 HydrophobicContact CD1-CD2 3.62Å; I171-L243 HydrophobicContact CD1-CG 4.19Å; F174-L243 HydrophobicContact CE1-CB 4.44Å; V201-L243 HydrophobicContact CG2-CD1 3.85Å; V201-L243 HydrophobicContact CG2-CD2 4.39Å; A239-L243 WeakPolarHBondContact O-CB 3.16Å; A239-L243 PolarHBondContact O-N 2.69Å; A240-L243 WeakPolarHBondContact O-CB 3.46Å; A240-L243 PolarHBondContact O-N 3.36Å; K241-L243 VanDerWaalsContact C-N 3.35Å; K241-L243 PolarHBondContact O-N 3.44Å; L243-E246 PolarHBondContact O-N 3.15Å; L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.29Å; L243-S247 PolarHBondContact O-N 3.33Å; L243-S247 PolarHBondContact O-OG 3.08Å; L243-M253 HydrophobicContact CD1-CE 3.79Å; L243-V255 HydrophobicContact CD1-CG2 4.38Å; L243-V255 HydrophobicContact CD2-CG1 4.01Å; L243-V255 HydrophobicContact CD2-CG2 4.16Å
244Y96.2Very high95.1Very high43 Ų4350.4 Ų50.417%0.16923%0.232CC..Hα-helixtrans-58.4-50.7176173-122.1000111.8L17 S18 A240 K241 K242 E246 S247 R248L17-Y244 HydrophobicContact CB-CD2 3.62Å; L17-Y244 HydrophobicContact CB-CG 4.07Å; S18-Y244 VanDerWaalsContact CB-CZ 3.47Å; S18-Y244 WeakPolarHBondContact CB-OH 3.42Å; S18-Y244 PolarHBondContact OG-OH 3.38Å; A240-Y244 PolarHBondContact O-N 2.89Å; K241-Y244 WeakPolarHBondContact O-CB 3.41Å; K241-Y244 PolarHBondContact O-N 3.18Å; K242-Y244 VanDerWaalsContact C-N 3.33Å; K242-Y244 PolarHBondContact O-N 3.35Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; Y244-E246 PolarHBondContact O-N 3.01Å; Y244-S247 PolarHBondContact O-N 3.03Å; Y244-R248 PolarHBondContact O-N 3.02Å; Y244-R248 VanDerWaalsContact O-N 3.09Å; Y244-R248 PolarHBondContact OH-NH1 2.85Å
245D96.8Very high95.7Very high65 Ų6542.7 Ų42.735%0.34819%0.191SC..Hα-helixtrans-62.8-41.1-178.2-69.7-30.6000111.8K241 K242 R248 K249K241-D245 PolarHBondContact O-N 2.73Å; K242-D245 PolarHBondContact O-N 2.73Å; D245-R248 IonicContact OD1-CZ 2.62Å; D245-R248 IonicContact OD1-NH2 3.69Å; D245-R248 PolarHBondContact OD1-NH2 2.83Å; D245-K249 VanDerWaalsContact O-CB 3.3Å; D245-K249 WeakPolarHBondContact O-CB 3.19Å; D245-K249 PolarHBondContact O-N 3.26Å; D245-K249 VanDerWaalsContact O-N 3.13Å
246E97.7Very high96.1Very high17 Ų1742.1 Ų42.18%0.07919%0.187CC..Hα-helixtrans-63.9-50.9174.9-176.3-174.8-16400111.9F174 R177 R181 K242 L243 Y244 R248 K249 F250F174-E246 VanDerWaalsContact CD1-OE2 3.27Å; F174-E246 WeakPolarHBondContact CD1-OE2 3.36Å; F174-E246 WeakPolarHBondContact CE1-OE2 3.47Å; R177-E246 IonicContact CZ-OE1 3.41Å; R177-E246 IonicContact CZ-OE2 3.85Å; R177-E246 VanDerWaalsContact NE-CD 3.33Å; R177-E246 IonicContact NE-OE1 2.69Å; R177-E246 PolarHBondContact NE-OE1 3.09Å; R177-E246 IonicContact NE-OE2 3.55Å; R177-E246 PolarHBondContact NE-OE2 2.89Å; R177-E246 VanDerWaalsContact NE-OE2 3.1Å; R177-E246 IonicContact NH2-OE1 3.43Å; R177-E246 IonicContact NH2-OE2 2.77Å; R177-E246 PolarHBondContact NH2-OE2 3.48Å; R181-E246 IonicContact CZ-OE1 3.41Å; R181-E246 IonicContact NH1-OE1 3.3Å; R181-E246 PolarHBondContact NH1-OE1 2.73Å; R181-E246 IonicContact NH2-OE1 3.84Å; R181-E246 PolarHBondContact NH2-OE1 3.12Å; R181-E246 VanDerWaalsContact NH2-OE1 3.1Å; K242-E246 VanDerWaalsContact O-CB 3.31Å; K242-E246 WeakPolarHBondContact O-CB 3.45Å; K242-E246 PolarHBondContact O-N 2.96Å; L243-E246 PolarHBondContact O-N 3.15Å; Y244-E246 VanDerWaalsContact C-N 3.34Å; Y244-E246 PolarHBondContact O-N 3.01Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.49Å; E246-K249 PolarHBondContact O-N 3.01Å; E246-F250 HydrophobicContact CG-CD2 3.75Å; E246-F250 HydrophobicContact CG-CE2 4.12Å; E246-F250 WeakPolarHBondContact O-CD2 3.4Å; E246-F250 PolarHBondContact O-N 3.03Å
247S95.8Very high96.2Very high1 Ų142.8 Ų42.81%0.00719%0.194CC..Hα-helixtrans-57.9-43.2-177.4-59.20000111.5L243 Y244 N251 M253L243-S247 VanDerWaalsContact O-CB 3.27Å; L243-S247 WeakPolarHBondContact O-CB 3.29Å; L243-S247 PolarHBondContact O-N 3.33Å; L243-S247 PolarHBondContact O-OG 3.08Å; Y244-S247 PolarHBondContact O-N 3.03Å; S247-N251 WeakPolarHBondContact O-CA 3.45Å; S247-N251 PolarHBondContact O-N 3.08Å; S247-M253 WeakPolarHBondContact OG-CB 3.12Å; S247-M253 WeakPolarHBondContact OG-CG 3.29Å
248R93.7Very high96.2Very high128 Ų12841.9 Ų41.948%0.48319%0.191SC..Hα-helixtrans-67.2-37.9176179.4-173.756-147.5-14.6112.3Y244 D245 E246Y244-R248 PolarHBondContact O-N 3.02Å; Y244-R248 VanDerWaalsContact O-N 3.09Å; Y244-R248 PolarHBondContact OH-NH1 2.85Å; D245-R248 IonicContact OD1-CZ 2.62Å; D245-R248 IonicContact OD1-NH2 3.69Å; D245-R248 PolarHBondContact OD1-NH2 2.83Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 3.49Å
249K96.4Very high96.2Very high152 Ų15240.9 Ų40.966%0.66119%0.185SC*.Hα-helixtrans-69.9-43-176.7-178.9176.5175.9-176.70112D245 E246D245-K249 VanDerWaalsContact O-CB 3.3Å; D245-K249 WeakPolarHBondContact O-CB 3.19Å; D245-K249 PolarHBondContact O-N 3.26Å; D245-K249 VanDerWaalsContact O-N 3.13Å; E246-K249 PolarHBondContact O-N 3.01Å
250F97.1Very high96.1Very high77 Ų7741.2 Ų41.234%0.33819%0.187SC..Hα-helixtrans-107.4-18.5-170.1-61.7-69.9000114.5E246 D252E246-F250 HydrophobicContact CG-CD2 3.75Å; E246-F250 HydrophobicContact CG-CE2 4.12Å; E246-F250 WeakPolarHBondContact O-CD2 3.4Å; E246-F250 PolarHBondContact O-N 3.03Å; F250-D252 VanDerWaalsContact CB-OD1 3.31Å; F250-D252 WeakPolarHBondContact CB-OD1 3.32Å; F250-D252 PolarHBondContact O-N 3.1Å; F250-D252 VanDerWaalsContact O-N 3.15Å
251N95.7Very high96Very high63 Ų6341.8 Ų41.834%0.33719%0.191SC..  trans61.116.5176.1-64.7-66.5000115.5P148 T149 S150 S247P148-N251 CarbonylContact C-O 3.39Å; P148-N251 WeakPolarHBondContact CA-O 3.32Å; T149-N251 PolarHBondContact N-O 3.37Å; T149-N251 VanDerWaalsContact OG1-CB 3.29Å; T149-N251 WeakPolarHBondContact OG1-CB 3.38Å; T149-N251 PolarHBondContact OG1-OD1 2.65Å; S150-N251 WeakPolarHBondContact CB-O 3.31Å; S150-N251 PolarHBondContact N-O 2.94Å; S150-N251 PolarHBondContact OG-O 2.88Å; S247-N251 WeakPolarHBondContact O-CA 3.45Å; S247-N251 PolarHBondContact O-N 3.08Å
252D97.8Very high95.7Very high9 Ų941.6 Ų41.65%0.04819%0.188CC..  trans-111.513.6-173.759.9-0.7000113.7S150 R181 V198 F199 F250S150-D252 WeakPolarHBondContact OG-CA 3.4Å; R181-D252 IonicContact CZ-OD1 3.06Å; R181-D252 IonicContact CZ-OD2 2.79Å; R181-D252 IonicContact NE-OD1 3.7Å; R181-D252 IonicContact NE-OD2 3.14Å; R181-D252 PolarHBondContact NE-OD2 2.87Å; R181-D252 IonicContact NH2-OD1 3.03Å; R181-D252 PolarHBondContact NH2-OD1 3.35Å; R181-D252 IonicContact NH2-OD2 3.73Å; R181-D252 PolarHBondContact NH2-OD2 2.79Å; V198-D252 CarbonylContact C-O 3.36Å; V198-D252 WeakPolarHBondContact CA-O 3.5Å; F199-D252 PolarHBondContact N-O 2.89Å; F250-D252 VanDerWaalsContact CB-OD1 3.31Å; F250-D252 WeakPolarHBondContact CB-OD1 3.32Å; F250-D252 PolarHBondContact O-N 3.1Å; F250-D252 VanDerWaalsContact O-N 3.15Å
253M97.9Very high95.6Very high1 Ų137.5 Ų37.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-103.1123.9-176.2-58.5-62.6-55.700111.6L147 F199 V201 L243 S247 V255L147-M253 CarbonylContact C-O 3.46Å; F199-M253 HydrophobicContact CB-CE 3.83Å; F199-M253 HydrophobicContact CB-SD 3.56Å; F199-M253 VanDerWaalsContact CB-SD 3.56Å; F199-M253 HydrophobicContact CD2-SD 3.92Å; F199-M253 HydrophobicContact CG-SD 4.1Å; V201-M253 HydrophobicContact CB-CE 4.36Å; V201-M253 HydrophobicContact CG1-CE 3.77Å; V201-M253 HydrophobicContact CG2-CE 3.6Å; L243-M253 HydrophobicContact CD1-CE 3.79Å; S247-M253 WeakPolarHBondContact OG-CB 3.12Å; S247-M253 WeakPolarHBondContact OG-CG 3.29Å; M253-V255 HydrophobicContact CB-CG2 4.27Å
254L98.1Very high95.4Very high0 Ų039.7 Ų39.70%018%0.182CC..EExtended strand (participates in β ladder)trans-100.2116.8163.8179.764.4000108.6V144 L147 P148 V198 F199 V200 V201 L271 W275V144-L254 HydrophobicContact CG1-CD1 3.93Å; L147-L254 HydrophobicContact CD2-CD1 4.07Å; P148-L254 HydrophobicContact CG-CB 4.31Å; V198-L254 HydrophobicContact CG1-CB 3.72Å; F199-L254 PolarHBondContact O-N 3.18Å; V200-L254 WeakPolarHBondContact CA-O 3.22Å; V200-L254 HydrophobicContact CG1-CD2 4.28Å; V200-L254 HydrophobicContact CG2-CB 4.26Å; V200-L254 HydrophobicContact CG2-CD2 4.04Å; V201-L254 PolarHBondContact N-O 2.75Å; L254-L271 HydrophobicContact CD1-CD1 4.3Å; L254-L271 HydrophobicContact CD2-CD1 4.35Å; L254-L271 HydrophobicContact CD2-CD2 4.3Å; L254-L271 HydrophobicContact CD2-CG 3.89Å; L254-L271 HydrophobicContact CG-CD1 4.33Å; L254-L271 HydrophobicContact CG-CD2 4.03Å; L254-L271 HydrophobicContact CG-CG 4.06Å; L254-W275 HydrophobicContact CD1-CB 4.25Å; L254-W275 HydrophobicContact CD1-CD2 4.5Å; L254-W275 HydrophobicContact CD1-CG 3.92Å; L254-W275 HydrophobicContact CD2-CB 3.69Å; L254-W275 HydrophobicContact CD2-CD2 3.8Å; L254-W275 HydrophobicContact CD2-CE3 3.94Å; L254-W275 HydrophobicContact CD2-CG 3.66Å; L254-W275 HydrophobicContact CG-CG 4.46Å
255V97.5Very high95.4Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-117.6122.1-175.1-172.80000110.1V145 Q146 V201 L203 L243 M253V145-V255 HydrophobicContact CB-CB 4.21Å; V145-V255 HydrophobicContact CB-CG1 4.05Å; V145-V255 HydrophobicContact CG1-CG1 4.25Å; V145-V255 PolarHBondContact N-O 2.9Å; Q146-V255 HydrophobicContact CB-CB 3.8Å; Q146-V255 HydrophobicContact CB-CG2 3.74Å; Q146-V255 HydrophobicContact CG-CG2 4.33Å; Q146-V255 PolarHBondContact N-O 2.83Å; Q146-V255 PolarHBondContact O-N 2.92Å; V201-V255 HydrophobicContact CG2-CB 4.41Å; V201-V255 HydrophobicContact CG2-CG1 4.31Å; V201-V255 HydrophobicContact CG2-CG2 3.8Å; V201-V255 WeakPolarHBondContact O-CA 3.38Å; L203-V255 HydrophobicContact CD2-CG1 3.84Å; L243-V255 HydrophobicContact CD1-CG2 4.38Å; L243-V255 HydrophobicContact CD2-CG1 4.01Å; L243-V255 HydrophobicContact CD2-CG2 4.16Å; M253-V255 HydrophobicContact CB-CG2 4.27Å
256G96.7Very high95.3Very high0 Ų035.6 Ų35.60%016%0.163CC..EExtended strand (participates in β ladder)trans-89.1158.6171.600000112.6V201 F258V201-G256 PolarHBondContact O-N 3Å; G256-F258 PolarHBondContact O-N 2.79Å
257S94.2Very high95.2Very high31 Ų3136.4 Ų36.422%0.21717%0.17CC..EExtended strand (participates in β ladder)trans-77.9-3.5177.975.50000114.8I143I143-S257 WeakPolarHBondContact CB-OG 3.3Å; I143-S257 PolarHBondContact O-N 2.84Å
258F93.3Very high95.2Very high32 Ų3236.6 Ų36.614%0.1417%0.171CC..EExtended strand (participates in β ladder)trans-81157.3-179.451.6-100.9000111.9G202 L203 G256 D260 K268 L271G202-F258 CarbonylContact C-O 3.52Å; G202-F258 WeakPolarHBondContact CA-O 3.33Å; L203-F258 PolarHBondContact N-O 2.94Å; G256-F258 PolarHBondContact O-N 2.79Å; F258-D260 PolarHBondContact O-N 3.04Å; F258-K268 HydrophobicContact CE2-CG 3.49Å; F258-K268 VanDerWaalsContact CE2-CG 3.49Å; F258-K268 HydrophobicContact CZ-CB 4.21Å; F258-K268 HydrophobicContact CZ-CG 3.6Å; F258-L271 HydrophobicContact CE1-CB 4.07Å; F258-L271 HydrophobicContact CE1-CD2 3.87Å; F258-L271 HydrophobicContact CZ-CB 4.46Å; F258-L271 HydrophobicContact CZ-CD2 3.91Å
259H93.6Very high95.4Very high56 Ų5630.9 Ų30.926%0.25915%0.15SC..EExtended strand (participates in β ladder)trans-64127.1172.1-70-36.9000111.5T205 T261 N264T205-H259 HydrophobicContact CG2-CB 4.38Å; T205-H259 WeakPolarHBondContact OG1-CB 3.34Å; H259-T261 HydrophobicContact CB-CG2 4.31Å; H259-T261 PolarHBondContact O-N 2.87Å; H259-N264 WeakPolarHBondContact O-CB 2.94Å; H259-N264 PolarHBondContact O-ND2 3.25Å
260D94.8Very high95.4Very high6 Ų624.1 Ų24.13%0.03212%0.121CC..  trans-80.885.9-179.3-164-18000111I171 G202 L203 F258 K268I171-D260 HydrophobicContact CB-CB 3.78Å; I171-D260 WeakPolarHBondContact CB-OD2 3.42Å; I171-D260 HydrophobicContact CG2-CB 3.66Å; I171-D260 PolarHBondContact N-OD2 3.12Å; G202-D260 PolarHBondContact N-OD2 2.91Å; L203-D260 PolarHBondContact O-N 2.8Å; F258-D260 PolarHBondContact O-N 3.04Å; D260-K268 WeakPolarHBondContact OD1-CE 3.5Å; D260-K268 IonicContact OD1-NZ 3.75Å; D260-K268 PolarHBondContact OD1-NZ 3.4Å; D260-K268 IonicContact OD2-NZ 2.63Å
261T92.7Very high95.4Very high13 Ų1320.4 Ų20.48%0.0811%0.105CC..  trans-122.5161.4177.869.40000110.6T205 H259 F263 N264T205-T261 WeakPolarHBondContact OG1-CG2 3.42Å; H259-T261 HydrophobicContact CB-CG2 4.31Å; H259-T261 PolarHBondContact O-N 2.87Å; T261-F263 PolarHBondContact O-N 3.39Å; T261-N264 PolarHBondContact O-N 2.89Å; T261-N264 PolarHBondContact OG1-N 3.1Å; T261-N264 PolarHBondContact OG1-ND2 2.74Å
262Y91.3Very high95.5Very high83 Ų8317.7 Ų17.733%0.3259%0.09SC..G310 helixtrans-56.6-34.4176.2-178.1-91.7000112.9L221 N264 L265 W339L221-Y262 HydrophobicContact CD1-CG 4.3Å; L221-Y262 HydrophobicContact CD2-CD1 3.72Å; L221-Y262 HydrophobicContact CD2-CE1 4.33Å; L221-Y262 HydrophobicContact CD2-CG 4.03Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 2.91Å; Y262-L265 HydrophobicContact CD2-CD1 4.03Å; Y262-L265 HydrophobicContact CE2-CD1 4.03Å; Y262-L265 HydrophobicContact CG-CD1 4.45Å; Y262-L265 WeakPolarHBondContact O-CD1 3.08Å; Y262-L265 WeakPolarHBondContact O-CG 3.03Å; Y262-W339 PolarHBondContact OH-NE1 3.48Å
263F92.7Very high95.4Very high10 Ų1017.2 Ų17.24%0.0449%0.088CC..G310 helixtrans-87.21.7179.8-63-65.5000114Y212 F214 V219 L221 T261 R338 R381Y212-F263 AromaticContact CD1-CD2 3.58Å; Y212-F263 HydrophobicContact CD1-CD2 3.58Å; Y212-F263 HydrophobicContact CD1-CE2 4.11Å; Y212-F263 AromaticContact CD2-CD2 3.78Å; Y212-F263 HydrophobicContact CD2-CD2 3.78Å; Y212-F263 AromaticContact CD2-CE2 3.51Å; Y212-F263 HydrophobicContact CD2-CE2 3.51Å; Y212-F263 AromaticContact CE1-CD2 3.87Å; Y212-F263 HydrophobicContact CE1-CD2 3.87Å; Y212-F263 HydrophobicContact CE2-CD2 4.08Å; Y212-F263 HydrophobicContact CE2-CE2 4.06Å; Y212-F263 AromaticContact CG-CD2 3.53Å; Y212-F263 HydrophobicContact CG-CD2 3.53Å; Y212-F263 AromaticContact CG-CE2 3.55Å; Y212-F263 HydrophobicContact CG-CE2 3.55Å; F214-F263 HydrophobicContact CE2-CD1 4.12Å; F214-F263 AromaticContact CE2-CD2 3.75Å; F214-F263 HydrophobicContact CE2-CD2 3.75Å; F214-F263 HydrophobicContact CE2-CE1 4.08Å; F214-F263 AromaticContact CE2-CE2 3.7Å; F214-F263 HydrophobicContact CE2-CE2 3.7Å; F214-F263 AromaticContact CE2-CG 3.96Å; F214-F263 HydrophobicContact CE2-CG 3.96Å; F214-F263 AromaticContact CE2-CZ 3.87Å; F214-F263 HydrophobicContact CE2-CZ 3.87Å; F214-F263 HydrophobicContact CZ-CB 3.96Å; F214-F263 HydrophobicContact CZ-CD1 4.07Å; F214-F263 AromaticContact CZ-CD2 3.57Å; F214-F263 HydrophobicContact CZ-CD2 3.57Å; F214-F263 HydrophobicContact CZ-CE1 4.49Å; F214-F263 HydrophobicContact CZ-CE2 4.03Å; F214-F263 AromaticContact CZ-CG 3.58Å; F214-F263 HydrophobicContact CZ-CG 3.58Å; F214-F263 HydrophobicContact CZ-CZ 4.47Å; V219-F263 HydrophobicContact CG1-CE2 4.45Å; V219-F263 HydrophobicContact CG1-CZ 3.84Å; L221-F263 HydrophobicContact CD1-CE2 4.33Å; L221-F263 HydrophobicContact CD2-CE2 3.67Å; L221-F263 HydrophobicContact CD2-CZ 3.66Å; L221-F263 HydrophobicContact CG-CE2 4.12Å; T261-F263 PolarHBondContact O-N 3.39Å; F263-R338 WeakPolarHBondContact CE1-O 3.47Å; F263-R381 HydrophobicContact CD1-CB 4.3Å; F263-R381 VanDerWaalsContact CE1-NH1 3.31Å
264N94Very high95.2Very high46 Ų4617.4 Ų17.425%0.2469%0.089CC..G310 helixtrans-104.716.6172-76-20.3000112.5H259 T261 Y262 T266 S267 K268H259-N264 WeakPolarHBondContact O-CB 2.94Å; H259-N264 PolarHBondContact O-ND2 3.25Å; T261-N264 PolarHBondContact O-N 2.89Å; T261-N264 PolarHBondContact OG1-N 3.1Å; T261-N264 PolarHBondContact OG1-ND2 2.74Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 2.91Å; N264-T266 VanDerWaalsContact C-N 3.26Å; N264-T266 PolarHBondContact O-N 2.76Å; N264-S267 WeakPolarHBondContact O-CB 3.5Å; N264-S267 PolarHBondContact O-N 3.41Å; N264-S267 VanDerWaalsContact O-N 3.11Å; N264-K268 PolarHBondContact O-N 3.09Å; N264-K268 VanDerWaalsContact O-N 3.16Å
265L95.4Very high95.1Very high17 Ų1717.5 Ų17.59%0.0899%0.089CC..Hα-helixtrans-60.7-37.4174.4-66.1168.4000111.4K168 Y262 S267 K268 M269 D383K168-L265 HydrophobicContact CD-CB 4.32Å; K168-L265 HydrophobicContact CD-CD2 3.6Å; K168-L265 HydrophobicContact CD-CG 4.44Å; K168-L265 HydrophobicContact CG-CD2 4.04Å; Y262-L265 HydrophobicContact CD2-CD1 4.03Å; Y262-L265 HydrophobicContact CE2-CD1 4.03Å; Y262-L265 HydrophobicContact CG-CD1 4.45Å; Y262-L265 WeakPolarHBondContact O-CD1 3.08Å; Y262-L265 WeakPolarHBondContact O-CG 3.03Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 2.94Å; L265-K268 HydrophobicContact CD2-CD 4.3Å; L265-K268 WeakPolarHBondContact O-CB 3.4Å; L265-K268 PolarHBondContact O-N 3.32Å; L265-K268 VanDerWaalsContact O-N 3.09Å; L265-M269 PolarHBondContact O-N 2.78Å; L265-D383 HydrophobicContact CB-CB 4.13Å
266T95.1Very high95Very high6 Ų617.5 Ų17.54%0.0379%0.089CC..Hα-helixtrans-58.4-42.2173.1-53.30000111.3N264 K268 M269 M270 L380 F386N264-T266 VanDerWaalsContact C-N 3.26Å; N264-T266 PolarHBondContact O-N 2.76Å; T266-K268 VanDerWaalsContact C-N 3.34Å; T266-K268 PolarHBondContact O-N 2.87Å; T266-M269 WeakPolarHBondContact O-CA 3.09Å; T266-M269 WeakPolarHBondContact O-CB 3.48Å; T266-M269 PolarHBondContact O-N 2.98Å; T266-M269 VanDerWaalsContact O-N 3.1Å; T266-M270 HydrophobicContact CG2-CE 3.64Å; T266-M270 VanDerWaalsContact O-CG 3.3Å; T266-M270 WeakPolarHBondContact O-CG 3.24Å; T266-M270 PolarHBondContact O-N 2.61Å; T266-L380 WeakPolarHBondContact CB-O 3.41Å; T266-L380 PolarHBondContact OG1-O 2.89Å; T266-F386 HydrophobicContact CG2-CD1 3.43Å; T266-F386 VanDerWaalsContact CG2-CD1 3.43Å; T266-F386 HydrophobicContact CG2-CE1 3.66Å; T266-F386 HydrophobicContact CG2-CG 4.02Å; T266-F386 HydrophobicContact CG2-CZ 4.41Å
267S95.4Very high94.9Very high33 Ų3319.1 Ų19.123%0.23110%0.099CC..Hα-helixtrans-62.3-38175.4-52.60000112.6N264 L265 M270 L271N264-S267 WeakPolarHBondContact O-CB 3.5Å; N264-S267 PolarHBondContact O-N 3.41Å; N264-S267 VanDerWaalsContact O-N 3.11Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 2.94Å; S267-M270 PolarHBondContact O-N 2.9Å; S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.37Å
268K97Very high94.8Very high6 Ų618.8 Ų18.83%0.02610%0.096CC..Hα-helixtrans-64-40.5171.6-66.8-178.7-165.3173.50112.1K168 S169 V200 F258 D260 N264 L265 T266 L271 S272K168-K268 HydrophobicContact CG-CD 3.95Å; S169-K268 PolarHBondContact O-NZ 2.96Å; V200-K268 HydrophobicContact CG1-CB 4.24Å; F258-K268 HydrophobicContact CE2-CG 3.49Å; F258-K268 VanDerWaalsContact CE2-CG 3.49Å; F258-K268 HydrophobicContact CZ-CB 4.21Å; F258-K268 HydrophobicContact CZ-CG 3.6Å; D260-K268 WeakPolarHBondContact OD1-CE 3.5Å; D260-K268 IonicContact OD1-NZ 3.75Å; D260-K268 PolarHBondContact OD1-NZ 3.4Å; D260-K268 IonicContact OD2-NZ 2.63Å; N264-K268 PolarHBondContact O-N 3.09Å; N264-K268 VanDerWaalsContact O-N 3.16Å; L265-K268 HydrophobicContact CD2-CD 4.3Å; L265-K268 WeakPolarHBondContact O-CB 3.4Å; L265-K268 PolarHBondContact O-N 3.32Å; L265-K268 VanDerWaalsContact O-N 3.09Å; T266-K268 VanDerWaalsContact C-N 3.34Å; T266-K268 PolarHBondContact O-N 2.87Å; K268-L271 PolarHBondContact O-N 3.2Å; K268-S272 WeakPolarHBondContact O-CB 3.35Å; K268-S272 PolarHBondContact O-N 3.17Å; K268-S272 PolarHBondContact O-OG 2.9Å
269M96.7Very high94.8Very high7 Ų717.9 Ų17.93%0.0349%0.092CC..Hα-helixtrans-61.3-48.5175.3-167.7-173.476.800110.1L265 T266 L271 S272 Y273 I374 F386 L387L265-M269 PolarHBondContact O-N 2.78Å; T266-M269 WeakPolarHBondContact O-CA 3.09Å; T266-M269 WeakPolarHBondContact O-CB 3.48Å; T266-M269 PolarHBondContact O-N 2.98Å; T266-M269 VanDerWaalsContact O-N 3.1Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.12Å; M269-S272 WeakPolarHBondContact O-CB 3.5Å; M269-S272 PolarHBondContact O-N 3.17Å; M269-S272 VanDerWaalsContact O-N 3.11Å; M269-Y273 HydrophobicContact CG-CD2 3.84Å; M269-Y273 HydrophobicContact CG-CE2 3.42Å; M269-Y273 VanDerWaalsContact CG-CE2 3.42Å; M269-Y273 WeakPolarHBondContact O-CD2 3.36Å; M269-Y273 PolarHBondContact O-N 3.38Å; M269-Y273 HydrophobicContact SD-CE2 4.23Å; M269-I374 HydrophobicContact CE-CD1 3.84Å; M269-I374 HydrophobicContact CE-CG1 4.35Å; M269-F386 HydrophobicContact CE-CD1 3.31Å; M269-F386 HydrophobicContact CE-CE1 3.49Å; M269-F386 VanDerWaalsContact CE-CE1 3.49Å; M269-L387 HydrophobicContact CE-CB 4.46Å; M269-L387 HydrophobicContact SD-CB 3.93Å; M269-L387 HydrophobicContact SD-CD1 4.3Å; M269-L387 HydrophobicContact SD-CG 4.48Å
270M95.6Very high94.9Very high10 Ų1015.2 Ų15.25%0.0498%0.079CC..Hα-helixtrans-57.4-45.4177-61.5-167.7-172.300112.4N138 I142 T266 S267 S272 Y273 R274 I374 S379 F386N138-M270 HydrophobicContact CB-CE 4.29Å; N138-M270 HydrophobicContact CB-SD 4.22Å; I142-M270 HydrophobicContact CD1-CB 4.2Å; T266-M270 HydrophobicContact CG2-CE 3.64Å; T266-M270 VanDerWaalsContact O-CG 3.3Å; T266-M270 WeakPolarHBondContact O-CG 3.24Å; T266-M270 PolarHBondContact O-N 2.61Å; S267-M270 PolarHBondContact O-N 2.9Å; M270-S272 VanDerWaalsContact C-N 3.32Å; M270-S272 PolarHBondContact O-N 2.7Å; M270-Y273 PolarHBondContact O-N 3.25Å; M270-R274 WeakPolarHBondContact O-CB 3.29Å; M270-R274 WeakPolarHBondContact O-CG 3.36Å; M270-R274 PolarHBondContact O-N 3.12Å; M270-I374 HydrophobicContact CE-CG2 4Å; M270-I374 HydrophobicContact CG-CG2 3.69Å; M270-I374 HydrophobicContact SD-CG2 3.92Å; M270-S379 WeakPolarHBondContact CE-OG 3.03Å; M270-F386 HydrophobicContact CE-CE1 3.95Å; M270-F386 HydrophobicContact CE-CZ 3.94Å
271L97Very high94.7Very high0 Ų023.1 Ų23.10%011%0.114CC..Hα-helixtrans-57.4-46175.4171.763.5000111.8I142 V144 V200 L254 F258 S267 K268 M269 Y273 R274 W275I142-L271 HydrophobicContact CG2-CB 4.19Å; I142-L271 HydrophobicContact CG2-CD1 3.77Å; V144-L271 HydrophobicContact CG2-CD1 3.75Å; V200-L271 HydrophobicContact CG1-CD2 3.84Å; V200-L271 HydrophobicContact CG1-CG 4.37Å; L254-L271 HydrophobicContact CD1-CD1 4.3Å; L254-L271 HydrophobicContact CD2-CD1 4.35Å; L254-L271 HydrophobicContact CD2-CD2 4.3Å; L254-L271 HydrophobicContact CD2-CG 3.89Å; L254-L271 HydrophobicContact CG-CD1 4.33Å; L254-L271 HydrophobicContact CG-CD2 4.03Å; L254-L271 HydrophobicContact CG-CG 4.06Å; F258-L271 HydrophobicContact CE1-CB 4.07Å; F258-L271 HydrophobicContact CE1-CD2 3.87Å; F258-L271 HydrophobicContact CZ-CB 4.46Å; F258-L271 HydrophobicContact CZ-CD2 3.91Å; S267-L271 WeakPolarHBondContact O-CB 3.14Å; S267-L271 PolarHBondContact O-N 3.37Å; K268-L271 PolarHBondContact O-N 3.2Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.12Å; L271-Y273 PolarHBondContact O-N 2.83Å; L271-R274 PolarHBondContact O-N 3.46Å; L271-W275 VanDerWaalsContact O-CB 3.23Å; L271-W275 WeakPolarHBondContact O-CB 3.32Å; L271-W275 PolarHBondContact O-N 3.13Å
272S97.8Very high94.7Very high5 Ų526 Ų264%0.03515%0.145CC..Hα-helixtrans-60.4-45.1179.2-54.50000111.7K268 M269 M270 T276K268-S272 WeakPolarHBondContact O-CB 3.35Å; K268-S272 PolarHBondContact O-N 3.17Å; K268-S272 PolarHBondContact O-OG 2.9Å; M269-S272 WeakPolarHBondContact O-CB 3.5Å; M269-S272 PolarHBondContact O-N 3.17Å; M269-S272 VanDerWaalsContact O-N 3.11Å; M270-S272 VanDerWaalsContact C-N 3.32Å; M270-S272 PolarHBondContact O-N 2.7Å; S272-T276 WeakPolarHBondContact O-CB 3.44Å; S272-T276 VanDerWaalsContact O-CG2 3.31Å; S272-T276 WeakPolarHBondContact O-CG2 3.42Å; S272-T276 PolarHBondContact O-N 3Å; S272-T276 PolarHBondContact O-OG1 3.2Å
273Y96.6Very high95Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-71.4-40.7-177.5-77.8-124.6000111.1M269 M270 L271 T276 T277 F289 Y360 L362 V367 A370 I374 L387M269-Y273 HydrophobicContact CG-CD2 3.84Å; M269-Y273 HydrophobicContact CG-CE2 3.42Å; M269-Y273 VanDerWaalsContact CG-CE2 3.42Å; M269-Y273 WeakPolarHBondContact O-CD2 3.36Å; M269-Y273 PolarHBondContact O-N 3.38Å; M269-Y273 HydrophobicContact SD-CE2 4.23Å; M270-Y273 PolarHBondContact O-N 3.25Å; L271-Y273 PolarHBondContact O-N 2.83Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.22Å; Y273-T276 PolarHBondContact O-OG1 3.49Å; Y273-T277 WeakPolarHBondContact O-CB 3.47Å; Y273-T277 WeakPolarHBondContact O-CG2 3.35Å; Y273-T277 PolarHBondContact O-N 3.04Å; Y273-T277 VanDerWaalsContact O-N 3.07Å; Y273-T277 PolarHBondContact O-OG1 3.44Å; Y273-F289 AromaticContact CD2-CE1 3.91Å; Y273-F289 HydrophobicContact CD2-CE1 3.91Å; Y273-F289 HydrophobicContact CD2-CZ 4.03Å; Y273-F289 HydrophobicContact CE2-CD1 4.23Å; Y273-F289 AromaticContact CE2-CE1 3.48Å; Y273-F289 HydrophobicContact CE2-CE1 3.48Å; Y273-F289 VanDerWaalsContact CE2-CE1 3.48Å; Y273-F289 HydrophobicContact CE2-CE2 4.37Å; Y273-F289 AromaticContact CE2-CZ 3.56Å; Y273-F289 HydrophobicContact CE2-CZ 3.56Å; Y273-Y360 WeakPolarHBondContact OH-CE2 3.49Å; Y273-Y360 PolarHBondContact OH-OH 2.77Å; Y273-L362 HydrophobicContact CE1-CD1 3.99Å; Y273-L362 WeakPolarHBondContact OH-CD1 3.39Å; Y273-V367 HydrophobicContact CD1-CG1 4.01Å; Y273-V367 HydrophobicContact CE1-CG1 4.5Å; Y273-V367 HydrophobicContact CG-CG1 4.27Å; Y273-A370 HydrophobicContact CD1-CB 3.82Å; Y273-A370 HydrophobicContact CE1-CB 3.61Å; Y273-I374 HydrophobicContact CD1-CD1 3.79Å; Y273-I374 HydrophobicContact CE1-CD1 4.28Å; Y273-I374 HydrophobicContact CG-CD1 4Å; Y273-L387 HydrophobicContact CE1-CD1 4.3Å; Y273-L387 VanDerWaalsContact OH-CD1 3.24Å; Y273-L387 WeakPolarHBondContact OH-CD1 3.24Å
274R94Very high95.2Very high5 Ų522.3 Ų22.32%0.01913%0.131CC..Hα-helixtrans-66.2-42.8174.6-72.7-164.9-172.6-177.24.9112.4I66 N138 G140 M270 L271 T277 T278I66-R274 HydrophobicContact CB-CB 4.24Å; I66-R274 HydrophobicContact CD1-CB 4.49Å; I66-R274 HydrophobicContact CG2-CB 3.82Å; I66-R274 WeakPolarHBondContact O-CD 3.37Å; I66-R274 PolarHBondContact O-NH1 3.1Å; N138-R274 PolarHBondContact O-NH2 3.37Å; G140-R274 VanDerWaalsContact O-CZ 3.28Å; G140-R274 PolarHBondContact O-NH1 3.07Å; G140-R274 PolarHBondContact O-NH2 3.06Å; M270-R274 WeakPolarHBondContact O-CB 3.29Å; M270-R274 WeakPolarHBondContact O-CG 3.36Å; M270-R274 PolarHBondContact O-N 3.12Å; L271-R274 PolarHBondContact O-N 3.46Å; R274-T277 PolarHBondContact O-OG1 2.77Å; R274-T278 WeakPolarHBondContact O-CB 3.48Å; R274-T278 PolarHBondContact O-N 3.29Å; R274-T278 VanDerWaalsContact O-N 3.13Å; R274-T278 PolarHBondContact O-OG1 3.1Å
275W95.9Very high95.4Very high1 Ų121 Ų210%0.00413%0.126CC..Hα-helixtrans-62.4-49.6177.416874.8000111.9I66 P148 A151 C152 I164 I166 V198 L254 L271 T277 T278 F279 C280I66-W275 HydrophobicContact CD1-CB 4.31Å; P148-W275 HydrophobicContact CG-CH2 4.34Å; P148-W275 HydrophobicContact CG-CZ2 3.52Å; A151-W275 HydrophobicContact CB-CH2 4.38Å; A151-W275 HydrophobicContact CB-CZ2 4.42Å; C152-W275 HydrophobicContact CB-CZ2 3.9Å; I164-W275 HydrophobicContact CG2-CH2 4.32Å; I164-W275 HydrophobicContact CG2-CZ3 4.49Å; I166-W275 HydrophobicContact CD1-CZ3 4.16Å; I166-W275 HydrophobicContact CG1-CZ3 4.32Å; V198-W275 HydrophobicContact CB-CH2 4.25Å; V198-W275 HydrophobicContact CB-CZ3 4.47Å; V198-W275 HydrophobicContact CG1-CH2 4.33Å; V198-W275 HydrophobicContact CG1-CZ3 4.4Å; V198-W275 HydrophobicContact CG2-CH2 3.62Å; V198-W275 HydrophobicContact CG2-CZ2 4.17Å; V198-W275 HydrophobicContact CG2-CZ3 4.3Å; L254-W275 HydrophobicContact CD1-CB 4.25Å; L254-W275 HydrophobicContact CD1-CD2 4.5Å; L254-W275 HydrophobicContact CD1-CG 3.92Å; L254-W275 HydrophobicContact CD2-CB 3.69Å; L254-W275 HydrophobicContact CD2-CD2 3.8Å; L254-W275 HydrophobicContact CD2-CE3 3.94Å; L254-W275 HydrophobicContact CD2-CG 3.66Å; L254-W275 HydrophobicContact CG-CG 4.46Å; L271-W275 VanDerWaalsContact O-CB 3.23Å; L271-W275 WeakPolarHBondContact O-CB 3.32Å; L271-W275 PolarHBondContact O-N 3.13Å; W275-T277 PolarHBondContact O-N 3.27Å; W275-T278 PolarHBondContact O-N 2.97Å; W275-F279 AromaticContact CD1-CD2 3.5Å; W275-F279 VanDerWaalsContact CD1-CD2 3.5Å; W275-F279 HydrophobicContact CG-CD2 4.34Å; W275-F279 PolarHBondContact O-N 3.19Å; W275-C280 VanDerWaalsContact CH2-SG 3.57Å
276T96.1Very high95.5Very high0 Ų020.2 Ų20.20%012%0.122CC..Hα-helixtrans-60.8-46.5179.645.60000112.8I166 S272 Y273 T278 C280 Y287 V367I166-T276 HydrophobicContact CD1-CG2 3.42Å; I166-T276 VanDerWaalsContact CD1-CG2 3.42Å; S272-T276 WeakPolarHBondContact O-CB 3.44Å; S272-T276 VanDerWaalsContact O-CG2 3.31Å; S272-T276 WeakPolarHBondContact O-CG2 3.42Å; S272-T276 PolarHBondContact O-N 3Å; S272-T276 PolarHBondContact O-OG1 3.2Å; Y273-T276 WeakPolarHBondContact CA-OG1 3.22Å; Y273-T276 PolarHBondContact O-OG1 3.49Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.33Å; T276-C280 WeakPolarHBondContact O-CA 3.17Å; T276-C280 WeakPolarHBondContact O-CB 3.1Å; T276-C280 PolarHBondContact O-N 2.97Å; T276-Y287 HydrophobicContact CG2-CD1 3.74Å; T276-Y287 HydrophobicContact CG2-CE1 3.34Å; T276-V367 VanDerWaalsContact OG1-CG1 3.23Å; T276-V367 WeakPolarHBondContact OG1-CG1 3.44Å
277T93.2Very high95.7Very high35 Ų3520.2 Ų20.222%0.21512%0.121CC..Hα-helixtrans-67.8-29.1-178.153.20000113Y273 R274 W275 V367 S368 S371Y273-T277 WeakPolarHBondContact O-CB 3.47Å; Y273-T277 WeakPolarHBondContact O-CG2 3.35Å; Y273-T277 PolarHBondContact O-N 3.04Å; Y273-T277 VanDerWaalsContact O-N 3.07Å; Y273-T277 PolarHBondContact O-OG1 3.44Å; R274-T277 PolarHBondContact O-OG1 2.77Å; W275-T277 PolarHBondContact O-N 3.27Å; T277-V367 HydrophobicContact CG2-CG1 4.07Å; T277-S368 VanDerWaalsContact CG2-CA 3.47Å; T277-S371 PolarHBondContact OG1-OG 3.36Å
278T92.5Very high95.8Very high24 Ų2418.7 Ų18.715%0.14711%0.11CC..Hα-helixtrans-84.7-49.9-179.2-58.40000112.5F48 V52 I66 R274 W275 T276F48-T278 HydrophobicContact CD1-CG2 3.76Å; F48-T278 HydrophobicContact CE1-CG2 4.15Å; V52-T278 HydrophobicContact CG2-CG2 3.27Å; I66-T278 HydrophobicContact CG2-CG2 4.25Å; I66-T278 WeakPolarHBondContact CG2-OG1 3.49Å; R274-T278 WeakPolarHBondContact O-CB 3.48Å; R274-T278 PolarHBondContact O-N 3.29Å; R274-T278 VanDerWaalsContact O-N 3.13Å; R274-T278 PolarHBondContact O-OG1 3.1Å; W275-T278 PolarHBondContact O-N 2.97Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.33Å
279F93.4Very high95.9Very high12 Ų1219 Ų195%0.05311%0.111CC..Hα-helixtrans-103.1-22.8-168.4-64.5-72.7000113.9F48 V52 L64 I66 L147 C152 P154 W275 Q283F48-F279 HydrophobicContact CD1-CE1 4.37Å; F48-F279 AromaticContact CE1-CD1 3.62Å; F48-F279 HydrophobicContact CE1-CD1 3.62Å; F48-F279 AromaticContact CE1-CE1 3.52Å; F48-F279 HydrophobicContact CE1-CE1 3.52Å; F48-F279 HydrophobicContact CE1-CZ 4.47Å; F48-F279 AromaticContact CZ-CD1 3.93Å; F48-F279 HydrophobicContact CZ-CD1 3.93Å; F48-F279 AromaticContact CZ-CE1 3.61Å; F48-F279 HydrophobicContact CZ-CE1 3.61Å; V52-F279 HydrophobicContact CG1-CZ 4.27Å; V52-F279 HydrophobicContact CG2-CZ 4.17Å; L64-F279 HydrophobicContact CD1-CZ 4.28Å; I66-F279 HydrophobicContact CD1-CD2 4.31Å; I66-F279 HydrophobicContact CD1-CE2 3.67Å; I66-F279 HydrophobicContact CG1-CE2 4.1Å; L147-F279 HydrophobicContact CD1-CE1 4.49Å; L147-F279 HydrophobicContact CD1-CZ 4.23Å; L147-F279 HydrophobicContact CD2-CD2 4.25Å; L147-F279 HydrophobicContact CD2-CE2 4.01Å; C152-F279 HydrophobicContact CB-CB 4.17Å; C152-F279 WeakPolarHBondContact CB-O 3.49Å; P154-F279 HydrophobicContact CB-CD1 3.94Å; P154-F279 HydrophobicContact CB-CE1 4.14Å; P154-F279 HydrophobicContact CG-CD1 4Å; P154-F279 HydrophobicContact CG-CE1 4.01Å; W275-F279 AromaticContact CD1-CD2 3.5Å; W275-F279 VanDerWaalsContact CD1-CD2 3.5Å; W275-F279 HydrophobicContact CG-CD2 4.34Å; W275-F279 PolarHBondContact O-N 3.19Å; F279-Q283 PolarHBondContact O-NE2 2.58Å; F279-Q283 VanDerWaalsContact O-NE2 3.11Å
280C95.7Very high95.9Very high0 Ų018.7 Ų18.70%011%0.11CC..SBendtrans-102.18.2-176.4-58.20000113.9C152 I164 W275 T276 G282 Q283 Y287C152-C280 HydrophobicContact CB-CB 3.94Å; C152-C280 WeakPolarHBondContact CB-SG 3.37Å; C152-C280 WeakPolarHBondContact SG-CA 3.29Å; C152-C280 WeakPolarHBondContact SG-CB 3.48Å; C152-C280 CovalentContact SG-SG 2.02Å; C152-C280 PolarHBondContact SG-SG 3.4Å; I164-C280 HydrophobicContact CD1-CB 4.25Å; W275-C280 VanDerWaalsContact CH2-SG 3.57Å; T276-C280 WeakPolarHBondContact O-CA 3.17Å; T276-C280 WeakPolarHBondContact O-CB 3.1Å; T276-C280 PolarHBondContact O-N 2.97Å; C280-G282 PolarHBondContact O-N 3.46Å; C280-Q283 WeakPolarHBondContact O-CB 3.18Å; C280-Q283 PolarHBondContact O-N 3.37Å; C280-Y287 HydrophobicContact CB-CE1 4.3Å; C280-Y287 WeakPolarHBondContact CB-OH 3.44Å
281K91.1Very high95.9Very high173 Ų17319.9 Ų19.975%0.75212%0.117SC*.THydrogen-bonded Turntrans-54.6124.5-178.4-171.2175.1-179.2177.70110.7Q283K281-Q283 VanDerWaalsContact C-N 3.26Å; K281-Q283 PolarHBondContact O-N 3.49Å
282G92.7Very high95.9Very high72 Ų7220.7 Ų20.774%0.74212%0.121SC*.THydrogen-bonded Turntrans78.1-5.3179.400000116.2C280C280-G282 PolarHBondContact O-N 3.46Å
283Q96.7Very high95.6Very high14 Ų1423 Ų237%0.06513%0.133CC..THydrogen-bonded Turntrans-86.1-35.7-175.2-62.8-160.85300113.7P158 E159 L161 F279 C280 K281P158-Q283 HydrophobicContact CB-CG 4.08Å; E159-Q283 VanDerWaalsContact O-CA 3.25Å; E159-Q283 WeakPolarHBondContact O-CA 3.33Å; E159-Q283 VanDerWaalsContact O-CB 3.22Å; E159-Q283 WeakPolarHBondContact O-CB 3.13Å; L161-Q283 PolarHBondContact N-O 3.35Å; F279-Q283 PolarHBondContact O-NE2 2.58Å; F279-Q283 VanDerWaalsContact O-NE2 3.11Å; C280-Q283 WeakPolarHBondContact O-CB 3.18Å; C280-Q283 PolarHBondContact O-N 3.37Å; K281-Q283 VanDerWaalsContact C-N 3.26Å; K281-Q283 PolarHBondContact O-N 3.49Å
284T97.6Very high95.5Very high2 Ų224.6 Ų24.61%0.01214%0.139CC..  trans-132.8144.4178-177.50000111I164 L286 Y287 S364I164-T284 HydrophobicContact CB-CG2 4.23Å; I164-T284 HydrophobicContact CD1-CG2 3.59Å; I164-T284 HydrophobicContact CG1-CG2 3.77Å; T284-L286 VanDerWaalsContact C-N 3.33Å; T284-L286 PolarHBondContact OG1-N 3.38Å; T284-L286 PolarHBondContact OG1-O 2.69Å; T284-Y287 HydrophobicContact CG2-CD1 4.06Å; T284-Y287 HydrophobicContact CG2-CD2 4.35Å; T284-Y287 HydrophobicContact CG2-CE1 3.46Å; T284-Y287 VanDerWaalsContact CG2-CE1 3.46Å; T284-Y287 HydrophobicContact CG2-CE2 3.81Å; T284-Y287 HydrophobicContact CG2-CG 4.47Å; T284-S364 WeakPolarHBondContact O-CB 3.49Å
285P97.4Very high95.5Very high20 Ų2024.4 Ų24.413%0.1314%0.139CC..SBendtrans-78.8-19.5170.933.4-35.1000112.6L161 L313 R314 S364L161-P285 VanDerWaalsContact O-CD 3.22Å; L161-P285 WeakPolarHBondContact O-CD 3.41Å; P285-L313 HydrophobicContact CB-CB 4.16Å; P285-L313 HydrophobicContact CG-CD1 4.35Å; P285-R314 HydrophobicContact CB-CG 3.99Å; P285-S364 PolarHBondContact O-N 2.99Å; P285-S364 PolarHBondContact O-OG 3.23Å; P285-S364 VanDerWaalsContact O-OG 3.05Å
286L98.2Very high95.5Very high0 Ų024.4 Ų24.40%014%0.138CC..EExtended strand (participates in β ladder)trans-144.5144.8-164.3-166.967000111.9L163 I164 T284 V305 L308 L313 T316 L361L163-L286 HydrophobicContact CD1-CB 4.16Å; L163-L286 HydrophobicContact CD1-CD2 4.09Å; L163-L286 HydrophobicContact CD1-CG 3.97Å; I164-L286 PolarHBondContact N-O 2.72Å; T284-L286 VanDerWaalsContact C-N 3.33Å; T284-L286 PolarHBondContact OG1-N 3.38Å; T284-L286 PolarHBondContact OG1-O 2.69Å; L286-V305 HydrophobicContact CD2-CG1 3.95Å; L286-V305 HydrophobicContact CD2-CG2 3.99Å; L286-L308 HydrophobicContact CD2-CD1 4.1Å; L286-L313 HydrophobicContact CD2-CD2 4.2Å; L286-T316 HydrophobicContact CD1-CG2 4.34Å; L286-L361 HydrophobicContact CD1-CB 4.44Å; L286-L361 HydrophobicContact CD1-CD2 4.45Å; L286-L361 HydrophobicContact CD2-CD2 3.91Å; L286-L361 HydrophobicContact CG-CD2 4.05Å
287Y98.6Very high95.4Very high6 Ų624.6 Ų24.62%0.02414%0.14CC..EExtended strand (participates in β ladder)trans-123.5141.3173.2-61.4-87000110I164 I166 T276 C280 T284 L361 L362 V367I164-Y287 HydrophobicContact CB-CD1 3.78Å; I164-Y287 HydrophobicContact CB-CE1 3.95Å; I164-Y287 HydrophobicContact CD1-CE1 4Å; I164-Y287 HydrophobicContact CG1-CE1 4.45Å; I164-Y287 HydrophobicContact CG2-CD1 4.13Å; I164-Y287 HydrophobicContact CG2-CE1 4.28Å; I164-Y287 VanDerWaalsContact O-CA 3.32Å; I164-Y287 WeakPolarHBondContact O-CA 3.49Å; I166-Y287 HydrophobicContact CD1-CD1 4.09Å; T276-Y287 HydrophobicContact CG2-CD1 3.74Å; T276-Y287 HydrophobicContact CG2-CE1 3.34Å; C280-Y287 HydrophobicContact CB-CE1 4.3Å; C280-Y287 WeakPolarHBondContact CB-OH 3.44Å; T284-Y287 HydrophobicContact CG2-CD1 4.06Å; T284-Y287 HydrophobicContact CG2-CD2 4.35Å; T284-Y287 HydrophobicContact CG2-CE1 3.46Å; T284-Y287 VanDerWaalsContact CG2-CE1 3.46Å; T284-Y287 HydrophobicContact CG2-CE2 3.81Å; T284-Y287 HydrophobicContact CG2-CG 4.47Å; Y287-L361 WeakPolarHBondContact O-CA 3.28Å; Y287-L362 PolarHBondContact N-O 2.68Å; Y287-L362 PolarHBondContact O-N 3.11Å; Y287-V367 HydrophobicContact CD2-CB 4.21Å; Y287-V367 HydrophobicContact CD2-CG2 3.64Å; Y287-V367 HydrophobicContact CE2-CB 4.35Å; Y287-V367 HydrophobicContact CE2-CG2 4.27Å; Y287-V367 HydrophobicContact CG-CG2 4.28Å
288L98.4Very high95.4Very high1 Ų123 Ų231%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-113.4124.5168.2-179.574.8000108.3L163 I164 V165 I166 L296 Y360 L361 L404L163-L288 HydrophobicContact CD1-CB 4.01Å; L163-L288 HydrophobicContact CD2-CB 4.19Å; L163-L288 HydrophobicContact CG-CB 4.42Å; I164-L288 PolarHBondContact O-N 3.04Å; V165-L288 CarbonylContact C-O 3.59Å; V165-L288 VanDerWaalsContact CA-O 3.31Å; V165-L288 WeakPolarHBondContact CA-O 3.42Å; V165-L288 HydrophobicContact CG1-CD2 4.3Å; V165-L288 HydrophobicContact CG2-CB 4.25Å; V165-L288 HydrophobicContact CG2-CD2 4.2Å; I166-L288 PolarHBondContact N-O 3.1Å; L288-L296 HydrophobicContact CD2-CD1 3.5Å; L288-L296 HydrophobicContact CD2-CD2 3.55Å; L288-L296 HydrophobicContact CD2-CG 4.19Å; L288-Y360 WeakPolarHBondContact CA-O 3.1Å; L288-L361 HydrophobicContact CB-CD2 3.7Å; L288-L361 HydrophobicContact CD1-CD2 3.47Å; L288-L361 VanDerWaalsContact CD1-CD2 3.47Å; L288-L361 HydrophobicContact CD1-CG 3.68Å; L288-L361 HydrophobicContact CG-CD2 4.16Å; L288-L404 HydrophobicContact CD1-CD2 4.39Å
289F98.5Very high95.5Very high11 Ų1123.6 Ų23.65%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-102136.6172.1-61.5-100.1000108.1I166 Y273 G359 Y360 L362 V367I166-F289 HydrophobicContact CB-CD1 3.87Å; I166-F289 HydrophobicContact CB-CE1 4.13Å; I166-F289 HydrophobicContact CB-CG 4.5Å; I166-F289 HydrophobicContact CD1-CD1 4.11Å; I166-F289 HydrophobicContact CD1-CE1 3.48Å; I166-F289 VanDerWaalsContact CD1-CE1 3.48Å; I166-F289 HydrophobicContact CD1-CZ 3.76Å; I166-F289 HydrophobicContact CG1-CE1 4.37Å; I166-F289 HydrophobicContact CG2-CD1 3.97Å; I166-F289 HydrophobicContact CG2-CE1 4.17Å; I166-F289 WeakPolarHBondContact O-CA 3.43Å; Y273-F289 AromaticContact CD2-CE1 3.91Å; Y273-F289 HydrophobicContact CD2-CE1 3.91Å; Y273-F289 HydrophobicContact CD2-CZ 4.03Å; Y273-F289 HydrophobicContact CE2-CD1 4.23Å; Y273-F289 AromaticContact CE2-CE1 3.48Å; Y273-F289 HydrophobicContact CE2-CE1 3.48Å; Y273-F289 VanDerWaalsContact CE2-CE1 3.48Å; Y273-F289 HydrophobicContact CE2-CE2 4.37Å; Y273-F289 AromaticContact CE2-CZ 3.56Å; Y273-F289 HydrophobicContact CE2-CZ 3.56Å; F289-G359 CarbonylContact O-C 3.57Å; F289-G359 WeakPolarHBondContact O-CA 3.27Å; F289-Y360 HydrophobicContact CB-CD1 4.27Å; F289-Y360 HydrophobicContact CB-CD2 3.99Å; F289-Y360 HydrophobicContact CB-CE1 3.81Å; F289-Y360 HydrophobicContact CB-CE2 3.52Å; F289-Y360 HydrophobicContact CB-CG 4.35Å; F289-Y360 VanDerWaalsContact CB-CZ 3.41Å; F289-Y360 HydrophobicContact CD1-CE2 4.29Å; F289-Y360 AromaticContact CD2-CD2 3.75Å; F289-Y360 HydrophobicContact CD2-CD2 3.75Å; F289-Y360 AromaticContact CD2-CE2 3.19Å; F289-Y360 HydrophobicContact CD2-CE2 3.19Å; F289-Y360 AromaticContact CD2-CZ 3.89Å; F289-Y360 AromaticContact CE2-CE2 3.92Å; F289-Y360 HydrophobicContact CE2-CE2 3.92Å; F289-Y360 HydrophobicContact CG-CD2 4.17Å; F289-Y360 HydrophobicContact CG-CE1 4.47Å; F289-Y360 AromaticContact CG-CE2 3.41Å; F289-Y360 HydrophobicContact CG-CE2 3.41Å; F289-Y360 VanDerWaalsContact CG-CE2 3.41Å; F289-Y360 AromaticContact CG-CZ 3.58Å; F289-Y360 PolarHBondContact N-O 2.6Å; F289-Y360 PolarHBondContact O-N 2.8Å; F289-L362 HydrophobicContact CE2-CB 4.33Å; F289-L362 HydrophobicContact CE2-CD1 4.2Å; F289-L362 HydrophobicContact CE2-CG 4.4Å; F289-V367 HydrophobicContact CE2-CG2 4.18Å; F289-V367 HydrophobicContact CZ-CG2 4.33Å
290V97.4Very high95.5Very high1 Ų123.8 Ų23.81%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-151.7149.2-176.565.50000110.3V165 I166 V167 K168 L296 I358 I419V165-V290 HydrophobicContact CG1-CG1 3.84Å; I166-V290 PolarHBondContact O-N 2.04Å; V167-V290 CarbonylContact C-O 3.41Å; V167-V290 VanDerWaalsContact CA-O 3.32Å; V167-V290 WeakPolarHBondContact CA-O 3.41Å; V167-V290 HydrophobicContact CB-CG1 4.33Å; V167-V290 HydrophobicContact CG1-CG1 4.37Å; V167-V290 HydrophobicContact CG2-CG1 3.86Å; K168-V290 PolarHBondContact N-O 3.17Å; V290-L296 HydrophobicContact CG2-CD2 4.38Å; V290-I358 WeakPolarHBondContact CG2-O 3.38Å; V290-I419 HydrophobicContact CG2-CD1 4.11Å; V290-I419 HydrophobicContact CG2-CG2 4.26Å
291D95.8Very high95.5Very high36 Ų3623.9 Ų23.919%0.19314%0.143CC..EExtended strand (participates in β ladder)trans-84.1156.4175-75.726.4000111.1K168 D293 Y294 I358K168-D291 WeakPolarHBondContact CE-OD1 3.43Å; K168-D291 WeakPolarHBondContact CE-OD2 3.33Å; K168-D291 IonicContact NZ-OD1 3.7Å; K168-D291 PolarHBondContact NZ-OD1 2.85Å; K168-D291 IonicContact NZ-OD2 3.66Å; K168-D291 PolarHBondContact NZ-OD2 2.72Å; D291-D293 VanDerWaalsContact C-N 3.31Å; D291-D293 WeakPolarHBondContact CB-OD1 2.88Å; D291-D293 PolarHBondContact O-N 2.74Å; D291-Y294 HydrophobicContact CB-CD2 3.94Å; D291-Y294 HydrophobicContact CB-CE2 4.29Å; D291-Y294 PolarHBondContact O-N 3.35Å; D291-Y294 VanDerWaalsContact O-N 3.17Å; D291-I358 PolarHBondContact N-O 2.93Å
292D95.6Very high95.8Very high17 Ų1716.2 Ų16.29%0.09111%0.11CC..THydrogen-bonded Turntrans-78.5-8.4-172.876.65.1000115.5V167 K168 S169 C170 C173 K176V167-D292 HydrophobicContact CG1-CB 3.96Å; K168-D292 PolarHBondContact O-N 3.1Å; S169-D292 WeakPolarHBondContact CA-OD2 3.46Å; S169-D292 VanDerWaalsContact CB-OD2 3.29Å; S169-D292 WeakPolarHBondContact CB-OD2 3.31Å; S169-D292 PolarHBondContact OG-OD2 3.41Å; C170-D292 PolarHBondContact N-OD2 2.83Å; C170-D292 VanDerWaalsContact N-OD2 3.07Å; C173-D292 WeakPolarHBondContact CB-OD2 3.41Å; C173-D292 PolarHBondContact SG-OD2 3.39Å; C173-D292 VanDerWaalsContact SG-OD2 3.35Å; K176-D292 HydrophobicContact CD-CB 4.37Å; K176-D292 WeakPolarHBondContact CD-O 3.47Å; K176-D292 VanDerWaalsContact CD-OD1 3.28Å; K176-D292 WeakPolarHBondContact CD-OD1 3.45Å; K176-D292 IonicContact NZ-OD1 3.1Å; K176-D292 PolarHBondContact NZ-OD1 2.82Å
293D92.5Very high95.9Very high54 Ų5419.7 Ų19.729%0.28910%0.101SC..THydrogen-bonded Turntrans-81.20.4165.642.112.1000113.5D291 I422D291-D293 VanDerWaalsContact C-N 3.31Å; D291-D293 WeakPolarHBondContact CB-OD1 2.88Å; D291-D293 PolarHBondContact O-N 2.74Å; D293-I422 WeakPolarHBondContact O-CB 3.36Å; D293-I422 WeakPolarHBondContact O-CG2 3.45Å; D293-I422 PolarHBondContact O-N 3.28Å
294Y94.2Very high95.9Very high33 Ų3319.6 Ų19.613%0.12910%0.101CC..EExtended strand (participates in β ladder)trans-116.4155.8174.9-61.5-85.1000112.9D291 I358 I419 I420 D421D291-Y294 HydrophobicContact CB-CD2 3.94Å; D291-Y294 HydrophobicContact CB-CE2 4.29Å; D291-Y294 PolarHBondContact O-N 3.35Å; D291-Y294 VanDerWaalsContact O-N 3.17Å; Y294-I358 HydrophobicContact CD1-CG2 3.82Å; Y294-I358 HydrophobicContact CD2-CG2 4.22Å; Y294-I358 HydrophobicContact CE1-CB 4.45Å; Y294-I358 HydrophobicContact CE1-CG1 4.28Å; Y294-I358 HydrophobicContact CE1-CG2 3.72Å; Y294-I358 HydrophobicContact CE2-CB 4.23Å; Y294-I358 HydrophobicContact CE2-CG1 4.28Å; Y294-I358 HydrophobicContact CE2-CG2 4.12Å; Y294-I358 HydrophobicContact CG-CG2 4.09Å; Y294-I419 VanDerWaalsContact CB-CG2 3.45Å; Y294-I419 HydrophobicContact CD1-CG2 3.75Å; Y294-I419 HydrophobicContact CG-CG2 3.79Å; Y294-I420 WeakPolarHBondContact CA-O 3.35Å; Y294-D421 HydrophobicContact CD1-CB 4.4Å; Y294-D421 HydrophobicContact CE1-CB 4.32Å
295V94.2Very high95.8Very high1 Ų120 Ų201%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-121.5153.8176.6-510000110.5Y179 Y184 I419 I420 I422 A425 W431Y179-V295 HydrophobicContact CE1-CG1 3.76Å; Y184-V295 HydrophobicContact CD1-CB 3.6Å; Y184-V295 HydrophobicContact CD1-CG1 3.89Å; Y184-V295 HydrophobicContact CE1-CB 3.87Å; Y184-V295 HydrophobicContact CE1-CG1 3.9Å; Y184-V295 HydrophobicContact CG-CB 4.37Å; V295-I419 WeakPolarHBondContact O-CA 3.39Å; V295-I420 HydrophobicContact CG2-CD1 3.85Å; V295-I420 HydrophobicContact CG2-CG1 3.29Å; V295-I420 PolarHBondContact N-O 3.42Å; V295-I420 PolarHBondContact O-N 3.15Å; V295-I420 VanDerWaalsContact O-N 3.16Å; V295-I422 HydrophobicContact CG1-CB 4.18Å; V295-I422 HydrophobicContact CG1-CG1 4.04Å; V295-A425 HydrophobicContact CG1-CB 4.22Å; V295-A425 HydrophobicContact CG2-CB 3.54Å; V295-W431 HydrophobicContact CB-CH2 4.29Å; V295-W431 HydrophobicContact CB-CZ2 4.48Å; V295-W431 HydrophobicContact CG2-CH2 4.09Å; V295-W431 HydrophobicContact CG2-CZ2 4.19Å
296L95.2Very high95.7Very high0 Ų025.4 Ų25.40%012%0.121CC..EExtended strand (participates in β ladder)trans-94.3141.8173.5-56.3-172.6000111.5V165 Y184 W190 F197 L288 V290 P298 V418 I419V165-L296 HydrophobicContact CG1-CD1 3.99Å; V165-L296 HydrophobicContact CG2-CD1 3.83Å; Y184-L296 WeakPolarHBondContact CB-O 3.35Å; Y184-L296 HydrophobicContact CD2-CB 4Å; Y184-L296 HydrophobicContact CD2-CG 4.17Å; Y184-L296 HydrophobicContact CE2-CG 4.27Å; Y184-L296 HydrophobicContact CG-CB 4.42Å; W190-L296 HydrophobicContact CH2-CB 4.46Å; W190-L296 HydrophobicContact CH2-CD1 4.29Å; W190-L296 HydrophobicContact CZ2-CB 4.48Å; F197-L296 HydrophobicContact CE1-CD1 3.93Å; L288-L296 HydrophobicContact CD2-CD1 3.5Å; L288-L296 HydrophobicContact CD2-CD2 3.55Å; L288-L296 HydrophobicContact CD2-CG 4.19Å; V290-L296 HydrophobicContact CG2-CD2 4.38Å; L296-P298 VanDerWaalsContact O-CD 3.29Å; L296-P298 WeakPolarHBondContact O-CD 3.37Å; L296-V418 CarbonylContact C-O 3.18Å; L296-V418 WeakPolarHBondContact CA-O 3.37Å; L296-I419 HydrophobicContact CD2-CD1 4.41Å; L296-I419 HydrophobicContact CD2-CG1 3.81Å
297L94.1Very high95.6Very high5 Ų529.6 Ų29.63%0.02615%0.15CC..  trans-90.2105.4167.8-62.1-163.8000109.4G299 N300 T301 L417 V418 I420 I429 I436L297-G299 PolarHBondContact O-N 3.4Å; L297-N300 HydrophobicContact CB-CB 4.04Å; L297-N300 PolarHBondContact O-N 3.03Å; L297-T301 WeakPolarHBondContact O-CB 3.38Å; L297-T301 PolarHBondContact O-N 3.41Å; L297-T301 PolarHBondContact O-OG1 2.62Å; L297-L417 WeakPolarHBondContact CD1-O 3.11Å; L297-V418 PolarHBondContact N-O 3.27Å; L297-I420 HydrophobicContact CD1-CG2 4.36Å; L297-I420 HydrophobicContact CD2-CD1 3.78Å; L297-I420 HydrophobicContact CD2-CG1 4.24Å; L297-I420 HydrophobicContact CG-CD1 4.42Å; L297-I429 HydrophobicContact CD1-CD1 4.12Å; L297-I429 HydrophobicContact CD2-CD1 3.3Å; L297-I429 HydrophobicContact CD2-CG1 3.52Å; L297-I429 HydrophobicContact CG-CD1 4.36Å; L297-I436 HydrophobicContact CD1-CD1 4.13Å; L297-I436 HydrophobicContact CD1-CG1 4.39Å
298P94.9Very high95.4Very high1 Ų131 Ų311%0.00616%0.158CC..Hα-helixtrans-59.7-47.9-167-28.338.8000113.1L189 W190 L296 N300 T301 I302L189-P298 HydrophobicContact CB-CB 3.96Å; L189-P298 HydrophobicContact CB-CG 3.84Å; L189-P298 HydrophobicContact CD1-CG 4.12Å; W190-P298 HydrophobicContact CD2-CB 4.03Å; W190-P298 HydrophobicContact CE3-CB 4.27Å; W190-P298 HydrophobicContact CH2-CB 4.14Å; W190-P298 HydrophobicContact CZ2-CB 3.83Å; W190-P298 HydrophobicContact CZ2-CG 3.93Å; W190-P298 HydrophobicContact CZ3-CB 4.35Å; L296-P298 VanDerWaalsContact O-CD 3.29Å; L296-P298 WeakPolarHBondContact O-CD 3.37Å; P298-N300 VanDerWaalsContact C-N 3.34Å; P298-N300 PolarHBondContact O-N 2.75Å; P298-T301 PolarHBondContact O-N 3.07Å; P298-I302 VanDerWaalsContact O-CG1 3.24Å; P298-I302 WeakPolarHBondContact O-CG1 3.37Å; P298-I302 PolarHBondContact O-N 3.23Å
299G93.9Very high95Very high37 Ų3735.7 Ų35.738%0.38118%0.183SC..Hα-helixtrans-60.1-41.3178.700000113.2L297 R303L297-G299 PolarHBondContact O-N 3.4Å; G299-R303 WeakPolarHBondContact O-CG 3.47Å; G299-R303 PolarHBondContact O-N 3.03Å; G299-R303 VanDerWaalsContact O-N 3.12Å
300N93.8Very high94.6Very high15 Ų1538.6 Ų38.68%0.0821%0.209CC..Hα-helixtrans-72.5-39-179.7-65.6-2.5000111.2L297 P298 I302 R303 L304 S415 L417 V418L297-N300 HydrophobicContact CB-CB 4.04Å; L297-N300 PolarHBondContact O-N 3.03Å; P298-N300 VanDerWaalsContact C-N 3.34Å; P298-N300 PolarHBondContact O-N 2.75Å; N300-I302 PolarHBondContact O-N 3.44Å; N300-R303 VanDerWaalsContact CG-NH2 3.34Å; N300-R303 PolarHBondContact O-N 3.11Å; N300-R303 PolarHBondContact OD1-NH2 2.75Å; N300-L304 PolarHBondContact O-N 3.17Å; N300-S415 PolarHBondContact ND2-O 2.87Å; N300-L417 WeakPolarHBondContact CB-O 3.13Å; N300-L417 PolarHBondContact ND2-O 3.16Å; N300-V418 HydrophobicContact CB-CG2 4.09Å
301T95.9Very high94.2Very high2 Ų243.1 Ų43.11%0.01224%0.241CC..Hα-helixtrans-59.3-47.4175-50.70000110.6L163 W190 L297 P298 R303 L304 V305 V418L163-T301 HydrophobicContact CD2-CG2 3.99Å; W190-T301 HydrophobicContact CH2-CG2 3.82Å; W190-T301 HydrophobicContact CZ3-CG2 3.81Å; L297-T301 WeakPolarHBondContact O-CB 3.38Å; L297-T301 PolarHBondContact O-N 3.41Å; L297-T301 PolarHBondContact O-OG1 2.62Å; P298-T301 PolarHBondContact O-N 3.07Å; T301-R303 PolarHBondContact O-N 3.27Å; T301-L304 PolarHBondContact O-N 2.78Å; T301-V305 HydrophobicContact CG2-CG2 4.48Å; T301-V305 WeakPolarHBondContact O-CG2 2.78Å; T301-V305 PolarHBondContact O-N 3.34Å; T301-V418 HydrophobicContact CG2-CG1 4.26Å; T301-V418 WeakPolarHBondContact OG1-CG1 3.07Å
302I96.5Very high93.9Very high13 Ų1344.9 Ų44.97%0.06725%0.253CS..Hα-helixtrans-59.4-46.8177.4-67.9166.3000110.8W190 F193 P298 N300 L304 R306W190-I302 HydrophobicContact CE3-CD1 4.06Å; W190-I302 HydrophobicContact CE3-CG1 3.88Å; W190-I302 HydrophobicContact CZ3-CG1 4.11Å; F193-I302 HydrophobicContact CB-CD1 3.91Å; F193-I302 HydrophobicContact CB-CG1 3.79Å; F193-I302 HydrophobicContact CD1-CG1 4.08Å; F193-I302 HydrophobicContact CD2-CG1 4.05Å; F193-I302 HydrophobicContact CD2-CG2 4.23Å; F193-I302 HydrophobicContact CG-CD1 4.4Å; F193-I302 HydrophobicContact CG-CG1 3.72Å; P298-I302 VanDerWaalsContact O-CG1 3.24Å; P298-I302 WeakPolarHBondContact O-CG1 3.37Å; P298-I302 PolarHBondContact O-N 3.23Å; N300-I302 PolarHBondContact O-N 3.44Å; I302-L304 PolarHBondContact O-N 3.46Å; I302-R306 HydrophobicContact CG2-CG 4.37Å; I302-R306 VanDerWaalsContact O-CB 3.28Å; I302-R306 WeakPolarHBondContact O-CB 3.41Å; I302-R306 VanDerWaalsContact O-CG 3.3Å; I302-R306 WeakPolarHBondContact O-CG 3.41Å; I302-R306 PolarHBondContact O-N 3.42Å
303R95.6Very high93.8Very high144 Ų14445.3 Ų45.354%0.54326%0.255SS..Hα-helixtrans-61.7-43178.4-71.5-174.9-42-158.18.9111.9G299 N300 T301 S307 S415G299-R303 WeakPolarHBondContact O-CG 3.47Å; G299-R303 PolarHBondContact O-N 3.03Å; G299-R303 VanDerWaalsContact O-N 3.12Å; N300-R303 VanDerWaalsContact CG-NH2 3.34Å; N300-R303 PolarHBondContact O-N 3.11Å; N300-R303 PolarHBondContact OD1-NH2 2.75Å; T301-R303 PolarHBondContact O-N 3.27Å; R303-S307 WeakPolarHBondContact O-CB 3.47Å; R303-S307 PolarHBondContact O-N 3.35Å; R303-S307 PolarHBondContact O-OG 3.4Å; R303-S415 PolarHBondContact NH2-O 3.16Å
304L95Very high94Very high13 Ų1348.5 Ų48.57%0.06826%0.263CS..Hα-helixtrans-62.7-53.8177.8175.761.8000110.8N300 T301 I302 R306 S307 L308 L361 E403 V418N300-L304 PolarHBondContact O-N 3.17Å; T301-L304 PolarHBondContact O-N 2.78Å; I302-L304 PolarHBondContact O-N 3.46Å; L304-R306 VanDerWaalsContact C-N 3.3Å; L304-R306 PolarHBondContact O-N 3.46Å; L304-S307 PolarHBondContact O-N 3.15Å; L304-S307 VanDerWaalsContact O-N 3.09Å; L304-S307 PolarHBondContact O-OG 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 2.75Å; L304-L361 HydrophobicContact CD2-CD1 3.87Å; L304-L361 HydrophobicContact CG-CD1 4.47Å; L304-E403 HydrophobicContact CD1-CG 4.21Å; L304-E403 HydrophobicContact CD2-CB 4.11Å; L304-V418 HydrophobicContact CB-CG2 4.05Å; L304-V418 HydrophobicContact CD2-CB 4.48Å; L304-V418 HydrophobicContact CD2-CG2 3.79Å
305V96.3Very high94.1Very high10 Ų1049.5 Ų49.56%0.06128%0.275CS..Hα-helixtrans-63.1-38.4-176.7176.50000111.5L163 F193 L286 T301 S307 L308L163-V305 HydrophobicContact CD2-CG2 4.34Å; F193-V305 HydrophobicContact CE2-CB 4.06Å; F193-V305 HydrophobicContact CE2-CG1 3.94Å; F193-V305 HydrophobicContact CZ-CB 3.9Å; F193-V305 HydrophobicContact CZ-CG1 3.83Å; F193-V305 HydrophobicContact CZ-CG2 4.14Å; L286-V305 HydrophobicContact CD2-CG1 3.95Å; L286-V305 HydrophobicContact CD2-CG2 3.99Å; T301-V305 HydrophobicContact CG2-CG2 4.48Å; T301-V305 WeakPolarHBondContact O-CG2 2.78Å; T301-V305 PolarHBondContact O-N 3.34Å; V305-S307 VanDerWaalsContact C-N 3.33Å; V305-S307 PolarHBondContact O-N 3.03Å; V305-L308 PolarHBondContact O-N 3.06Å
306R95.8Very high94.3Very high133 Ų13350 Ų5050%0.50228%0.278SS..Hα-helixtrans-72.7-20.6176.8-70.5179.6173.4167.7-2.6113.8D192 I302 L304D192-R306 IonicContact OD1-CZ 2.92Å; D192-R306 IonicContact OD1-NH1 3.67Å; D192-R306 IonicContact OD1-NH2 2.66Å; D192-R306 PolarHBondContact OD1-NH2 2.76Å; D192-R306 IonicContact OD2-CZ 3.96Å; D192-R306 IonicContact OD2-NH2 2.68Å; D192-R306 PolarHBondContact OD2-NH2 2.88Å; I302-R306 HydrophobicContact CG2-CG 4.37Å; I302-R306 VanDerWaalsContact O-CB 3.28Å; I302-R306 WeakPolarHBondContact O-CB 3.41Å; I302-R306 VanDerWaalsContact O-CG 3.3Å; I302-R306 WeakPolarHBondContact O-CG 3.41Å; I302-R306 PolarHBondContact O-N 3.42Å; L304-R306 VanDerWaalsContact C-N 3.3Å; L304-R306 PolarHBondContact O-N 3.46Å
307S94.8Very high94.4Very high88 Ų8850.4 Ų50.462%0.61528%0.28SS*.Hα-helixtrans-82.7-19.8176.9750000113R303 L304 V305R303-S307 WeakPolarHBondContact O-CB 3.47Å; R303-S307 PolarHBondContact O-N 3.35Å; R303-S307 PolarHBondContact O-OG 3.4Å; L304-S307 PolarHBondContact O-N 3.15Å; L304-S307 VanDerWaalsContact O-N 3.09Å; L304-S307 PolarHBondContact O-OG 3.24Å; V305-S307 VanDerWaalsContact C-N 3.33Å; V305-S307 PolarHBondContact O-N 3.03Å
308L94.8Very high94.5Very high35 Ų3550.1 Ų50.118%0.18328%0.279CS..SBendtrans-67.4138174.5-62.5177.3000110.7L286 L304 V305 A310 L313 T316 M401L286-L308 HydrophobicContact CD2-CD1 4.1Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 2.75Å; V305-L308 PolarHBondContact O-N 3.06Å; L308-A310 PolarHBondContact O-N 3.36Å; L308-L313 HydrophobicContact CB-CD2 3.54Å; L308-L313 HydrophobicContact CB-CG 4.43Å; L308-L313 HydrophobicContact CD1-CD2 3.83Å; L308-L313 HydrophobicContact CG-CD2 4.34Å; L308-T316 HydrophobicContact CD1-CG2 4.34Å; L308-M401 HydrophobicContact CD2-CE 4.03Å
309N91.1Very high94.5Very high100 Ų10050.1 Ų50.154%0.53528%0.279SS..  trans-66.9125.6179.1-179-9.6000110.7S311 V312 L313N309-S311 VanDerWaalsContact CG-OG 3.29Å; N309-S311 PolarHBondContact ND2-OG 2.66Å; N309-S311 PolarHBondContact O-N 3.32Å; N309-S311 VanDerWaalsContact O-N 3.09Å; N309-S311 PolarHBondContact OD1-N 2.73Å; N309-S311 PolarHBondContact OD1-OG 3.17Å; N309-S311 VanDerWaalsContact OD1-OG 3.07Å; N309-V312 HydrophobicContact CB-CG2 4.03Å; N309-V312 WeakPolarHBondContact O-CG2 3.23Å; N309-V312 PolarHBondContact O-N 3.19Å; N309-L313 PolarHBondContact O-N 2.86Å; N309-L313 VanDerWaalsContact O-N 3.13Å
310A90.1Very high94.5Very high73 Ų7349.7 Ų49.760%0.60327%0.267SS*.THydrogen-bonded Turntrans-54.2-31-179.800000113.7L308 V312L308-A310 PolarHBondContact O-N 3.36Å; A310-V312 VanDerWaalsContact C-N 3.27Å; A310-V312 PolarHBondContact O-N 3.29Å
311S87.9Confident94.5Very high95 Ų9549.4 Ų49.466%0.66427%0.266SS*.THydrogen-bonded Turntrans-70.1-20.8179.167.90000113.8N309N309-S311 VanDerWaalsContact CG-OG 3.29Å; N309-S311 PolarHBondContact ND2-OG 2.66Å; N309-S311 PolarHBondContact O-N 3.32Å; N309-S311 VanDerWaalsContact O-N 3.09Å; N309-S311 PolarHBondContact OD1-N 2.73Å; N309-S311 PolarHBondContact OD1-OG 3.17Å; N309-S311 VanDerWaalsContact OD1-OG 3.07Å
312V90.7Very high94.2Very high73 Ų7351.3 Ų51.344%0.44228%0.275SS..THydrogen-bonded Turntrans-117-3.2-177.3-54.10000113.8N309 A310 R314 S315 T316N309-V312 HydrophobicContact CB-CG2 4.03Å; N309-V312 WeakPolarHBondContact O-CG2 3.23Å; N309-V312 PolarHBondContact O-N 3.19Å; A310-V312 VanDerWaalsContact C-N 3.27Å; A310-V312 PolarHBondContact O-N 3.29Å; V312-R314 VanDerWaalsContact C-N 3.26Å; V312-R314 PolarHBondContact O-N 2.86Å; V312-S315 CarbonylContact O-C 3.54Å; V312-S315 WeakPolarHBondContact O-CA 3.38Å; V312-S315 PolarHBondContact O-N 3.11Å; V312-T316 PolarHBondContact O-N 3.18Å; V312-T316 PolarHBondContact O-OG1 2.9Å
313L93.8Very high93.6Very high26 Ų2657 Ų5714%0.13630%0.297CS..G310 helixtrans-48.5-47.4179.1-82.9175.5000112.4P285 L286 L308 N309 S315 T316 G363P285-L313 HydrophobicContact CB-CB 4.16Å; P285-L313 HydrophobicContact CG-CD1 4.35Å; L286-L313 HydrophobicContact CD2-CD2 4.2Å; L308-L313 HydrophobicContact CB-CD2 3.54Å; L308-L313 HydrophobicContact CB-CG 4.43Å; L308-L313 HydrophobicContact CD1-CD2 3.83Å; L308-L313 HydrophobicContact CG-CD2 4.34Å; N309-L313 PolarHBondContact O-N 2.86Å; N309-L313 VanDerWaalsContact O-N 3.13Å; L313-S315 PolarHBondContact O-N 3.33Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 WeakPolarHBondContact O-CB 3.47Å; L313-T316 PolarHBondContact O-N 3.37Å; L313-T316 PolarHBondContact O-OG1 3.33Å; L313-G363 WeakPolarHBondContact O-CA 3.36Å
314R96.6Very high92.3Very high121 Ų12155.7 Ų55.746%0.45731%0.305SS..G310 helixtrans-68.9-15.7-179.1-62.4-170166.677.80114.4P285 V312 G363 S364 N365P285-R314 HydrophobicContact CB-CG 3.99Å; V312-R314 VanDerWaalsContact C-N 3.26Å; V312-R314 PolarHBondContact O-N 2.86Å; R314-G363 CarbonylContact O-C 3.57Å; R314-G363 VanDerWaalsContact O-CA 3.24Å; R314-G363 WeakPolarHBondContact O-CA 3.26Å; R314-S364 WeakPolarHBondContact CG-OG 3.21Å; R314-S364 PolarHBondContact O-N 3.14Å; R314-N365 VanDerWaalsContact O-CB 3.29Å; R314-N365 WeakPolarHBondContact O-CB 3.32Å; R314-N365 PolarHBondContact O-N 3.06Å
315S95.9Very high91.2Very high54 Ų5455.3 Ų55.338%0.37830%0.303SS..G310 helixtrans-112.59.8179.5-56.60000112.8V312 L313V312-S315 CarbonylContact O-C 3.54Å; V312-S315 WeakPolarHBondContact O-CA 3.38Å; V312-S315 PolarHBondContact O-N 3.11Å; L313-S315 PolarHBondContact O-N 3.33Å
316T97Very high90.7Very high13 Ų1357.8 Ų57.88%0.0832%0.318CS..  trans-67.4138.2-177.9-65.20000111L286 L308 V312 L313 L362 G363 M401L286-T316 HydrophobicContact CD1-CG2 4.34Å; L308-T316 HydrophobicContact CD1-CG2 4.34Å; V312-T316 PolarHBondContact O-N 3.18Å; V312-T316 PolarHBondContact O-OG1 2.9Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 WeakPolarHBondContact O-CB 3.47Å; L313-T316 PolarHBondContact O-N 3.37Å; L313-T316 PolarHBondContact O-OG1 3.33Å; T316-L362 CarbonylContact O-C 3.54Å; T316-L362 WeakPolarHBondContact O-CA 3.49Å; T316-G363 PolarHBondContact O-N 3.17Å; T316-M401 HydrophobicContact CG2-CE 4.03Å
317V97.2Very high90.2Very high7 Ų751.5 Ų51.54%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-137.288.1175.2-1710000107.6F355 L362 I366 L391 R396 L398 T399V317-F355 HydrophobicContact CG1-CE2 3.92Å; V317-F355 HydrophobicContact CG1-CZ 3.87Å; V317-L362 HydrophobicContact CB-CD2 4.43Å; V317-L362 HydrophobicContact CG1-CD2 3.91Å; V317-I366 HydrophobicContact CG2-CB 4.35Å; V317-I366 HydrophobicContact CG2-CD1 3.85Å; V317-I366 HydrophobicContact CG2-CG1 3.69Å; V317-I366 HydrophobicContact CG2-CG2 3.88Å; V317-L391 HydrophobicContact CG1-CD1 3.91Å; V317-L391 HydrophobicContact CG1-CD2 4.28Å; V317-R396 HydrophobicContact CG2-CB 4.31Å; V317-L398 HydrophobicContact CG1-CD2 3.5Å; V317-T399 VanDerWaalsContact O-CB 3.3Å; V317-T399 WeakPolarHBondContact O-CB 3.47Å; V317-T399 PolarHBondContact O-N 2.79Å; V317-T399 PolarHBondContact O-OG1 3.42Å
318G96.4Very high90Very high0 Ų047.8 Ų47.80%027%0.269CS..EExtended strand (participates in β ladder)trans-130.2141.3-16700000113.9F355 Y360 L361 T399G318-F355 VanDerWaalsContact C-CZ 3.49Å; G318-Y360 CarbonylContact O-C 3.52Å; G318-Y360 WeakPolarHBondContact O-CA 3.38Å; G318-Y360 WeakPolarHBondContact O-CB 3.35Å; G318-L361 PolarHBondContact N-O 3.35Å; G318-L361 PolarHBondContact O-N 2.8Å; G318-T399 WeakPolarHBondContact CA-O 3.06Å
319G95.8Very high89.7Confident0 Ų046.5 Ų46.50%026%0.262CS..EExtended strand (participates in β ladder)trans175.6179.7-178.100000111.4V321 F355 T399 N400 M401G319-V321 PolarHBondContact O-N 3.18Å; G319-F355 VanDerWaalsContact CA-CD1 3.41Å; G319-F355 VanDerWaalsContact CA-CE1 3.43Å; G319-T399 PolarHBondContact N-O 2.52Å; G319-T399 VanDerWaalsContact N-O 3.11Å; G319-N400 CarbonylContact O-C 3.37Å; G319-N400 WeakPolarHBondContact O-CA 3.05Å; G319-M401 PolarHBondContact O-N 3.2Å
320L93.9Very high89.5Confident28 Ų2843.5 Ų43.515%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-76.9112.4168.2-175.267.7000108.7F355 Y356 I358L320-F355 VanDerWaalsContact O-CA 3.3Å; L320-F355 WeakPolarHBondContact O-CA 3.37Å; L320-Y356 HydrophobicContact CB-CD2 4.13Å; L320-Y356 HydrophobicContact CD2-CD2 3.59Å; L320-Y356 HydrophobicContact CD2-CE2 4.04Å; L320-Y356 HydrophobicContact CD2-CG 4.1Å; L320-Y356 HydrophobicContact CG-CD2 3.62Å; L320-Y356 HydrophobicContact CG-CE2 4.07Å; L320-Y356 WeakPolarHBondContact O-CD2 3.35Å; L320-Y356 PolarHBondContact O-N 3.15Å; L320-I358 HydrophobicContact CD2-CD1 3.85Å
321V93.7Very high89Confident10 Ų1045.2 Ų45.26%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-86.8129.9-172.3179.40000111.3G319 Y323 P353 F355 L398 N400G319-V321 PolarHBondContact O-N 3.18Å; V321-Y323 HydrophobicContact CB-CD2 4.24Å; V321-Y323 HydrophobicContact CB-CE1 4.45Å; V321-Y323 HydrophobicContact CB-CE2 3.82Å; V321-Y323 HydrophobicContact CG1-CD1 3.79Å; V321-Y323 HydrophobicContact CG1-CD2 3.84Å; V321-Y323 HydrophobicContact CG1-CE1 3.7Å; V321-Y323 HydrophobicContact CG1-CE2 3.75Å; V321-Y323 HydrophobicContact CG1-CG 3.86Å; V321-P353 HydrophobicContact CG1-CB 4.21Å; V321-F355 HydrophobicContact CG2-CD1 3.9Å; V321-F355 HydrophobicContact CG2-CE1 3.6Å; V321-L398 HydrophobicContact CG1-CB 4.43Å; V321-L398 HydrophobicContact CG1-CD1 4.28Å; V321-L398 HydrophobicContact CG2-CB 3.75Å; V321-L398 HydrophobicContact CG2-CD1 4.48Å; V321-N400 HydrophobicContact CB-CB 4.18Å; V321-N400 HydrophobicContact CG2-CB 3.89Å; V321-N400 PolarHBondContact N-OD1 2.97Å
322H90.2Very high88.3Confident42 Ų4244.8 Ų44.819%0.19424%0.242CC..EExtended strand (participates in β ladder)trans-94.999.7164.4-163.8-49.8000109.5T324 S325 P353 Y354 Y356H322-T324 PolarHBondContact CE1-O 3.21Å; H322-S325 PolarHBondContact CE1-OG 3.45Å; H322-S325 PolarHBondContact ND1-OG 2.86Å; H322-P353 WeakPolarHBondContact O-CA 3.36Å; H322-Y354 HydrophobicContact CB-CD2 4.11Å; H322-Y354 HydrophobicContact CB-CE2 3.83Å; H322-Y354 AromaticContact CG-CZ 3.98Å; H322-Y354 PolarHBondContact N-O 3.37Å; H322-Y354 PolarHBondContact O-N 3.47Å; H322-Y356 HydrophobicContact CB-CD2 4.1Å; H322-Y356 HydrophobicContact CB-CE2 3.69Å; H322-Y356 AromaticContact CD2-CE1 3.57Å; H322-Y356 AromaticContact CD2-CE2 3.96Å; H322-Y356 AromaticContact CD2-CZ 3.31Å; H322-Y356 PolarHBondContact CD2-OH 3.43Å; H322-Y356 AromaticContact CG-CZ 3.88Å
323Y83.2Confident87.2Confident133 Ų13350.7 Ų50.752%0.52226%0.264SS..  trans-75.7-32.2-171.1-75.2-79.6000115.4V321V321-Y323 HydrophobicContact CB-CD2 4.24Å; V321-Y323 HydrophobicContact CB-CE1 4.45Å; V321-Y323 HydrophobicContact CB-CE2 3.82Å; V321-Y323 HydrophobicContact CG1-CD1 3.79Å; V321-Y323 HydrophobicContact CG1-CD2 3.84Å; V321-Y323 HydrophobicContact CG1-CE1 3.7Å; V321-Y323 HydrophobicContact CG1-CE2 3.75Å; V321-Y323 HydrophobicContact CG1-CG 3.86Å
324T68Low86.2Confident116 Ų11658.9 Ų58.971%0.71230%0.299SS*.  trans-136.493.9-171.353.80000111H322H322-T324 PolarHBondContact CE1-O 3.21Å
325S71.8Confident85.2Confident5 Ų556.9 Ų56.94%0.03529%0.294CS..EExtended strand (participates in β ladder)trans-113.396-174.7-45.30000109.9H322 V327 Y350 Y351 Y354H322-S325 PolarHBondContact CE1-OG 3.45Å; H322-S325 PolarHBondContact ND1-OG 2.86Å; S325-V327 PolarHBondContact O-N 3.45Å; S325-Y350 WeakPolarHBondContact O-CA 3.47Å; S325-Y351 PolarHBondContact O-N 3.46Å; S325-Y354 WeakPolarHBondContact OG-CE1 3.09Å; S325-Y354 PolarHBondContact OG-OH 3.3Å
326V85.3Confident84.5Confident62 Ų6257 Ų5738%0.37629%0.29SS..EExtended strand (participates in β ladder)trans-54.8128.9162.3177.30000107.1A328 F335 D349 Y350V326-A328 PolarHBondContact O-N 3.45Å; V326-F335 HydrophobicContact CG1-CZ 4.16Å; V326-D349 WeakPolarHBondContact CA-O 3.48Å; V326-Y350 HydrophobicContact CG2-CD1 4.13Å; V326-Y350 HydrophobicContact CG2-CE1 3.6Å
327V86.9Confident84.1Confident0 Ų059.7 Ų59.70%030%0.304CS..PPolyproline II helixtrans-65.5120.1174.7176.20000107.9S325 R329 V341 Y346 W348 D349 Y351S325-V327 PolarHBondContact O-N 3.45Å; V327-R329 PolarHBondContact O-N 2.88Å; V327-V341 HydrophobicContact CG1-CB 4.09Å; V327-Y346 HydrophobicContact CG1-CD1 4.35Å; V327-Y346 HydrophobicContact CG2-CD1 3.61Å; V327-Y346 HydrophobicContact CG2-CE1 3.51Å; V327-W348 WeakPolarHBondContact CG2-O 3.38Å; V327-D349 PolarHBondContact N-O 3.26Å; V327-Y351 HydrophobicContact CB-CE2 4.02Å; V327-Y351 HydrophobicContact CG1-CE2 4.08Å; V327-Y351 HydrophobicContact CG2-CD1 3.93Å; V327-Y351 HydrophobicContact CG2-CD2 3.63Å; V327-Y351 HydrophobicContact CG2-CE1 3.78Å; V327-Y351 HydrophobicContact CG2-CE2 3.48Å; V327-Y351 VanDerWaalsContact CG2-CE2 3.48Å; V327-Y351 HydrophobicContact CG2-CG 3.87Å
328A89.5Confident83.7Confident11 Ų1163 Ų639%0.09132%0.316CS..PPolyproline II helixtrans-59.2122.1171.400000108.5V326 F335 A340 V341V326-A328 PolarHBondContact O-N 3.45Å; A328-F335 HydrophobicContact CB-CB 3.51Å; A328-F335 HydrophobicContact CB-CD1 3.99Å; A328-F335 HydrophobicContact CB-CD2 4.08Å; A328-F335 HydrophobicContact CB-CG 3.6Å; A328-A340 HydrophobicContact CB-CB 4.33Å; A328-A340 CarbonylContact O-C 3.56Å; A328-A340 VanDerWaalsContact O-CA 3.27Å; A328-A340 WeakPolarHBondContact O-CA 3.45Å; A328-V341 PolarHBondContact O-N 3.01Å
329R89.4Confident83.4Confident8 Ų868.9 Ų68.93%0.0334%0.338CS..  trans-108137179.6-63.1-55.6-168-179.14.9109.7V327 S331 K332 V341 S342 Y346 P347 W348 D349V327-R329 PolarHBondContact O-N 2.88Å; R329-S331 PolarHBondContact O-N 2.67Å; R329-S331 VanDerWaalsContact O-N 3.16Å; R329-K332 HydrophobicContact CB-CB 4.37Å; R329-K332 HydrophobicContact CB-CD 4.01Å; R329-K332 HydrophobicContact CB-CG 4.03Å; R329-K332 HydrophobicContact CG-CD 4.24Å; R329-K332 PolarHBondContact O-N 3.24Å; R329-V341 VanDerWaalsContact CD-O 3.24Å; R329-V341 WeakPolarHBondContact CD-O 3.19Å; R329-V341 PolarHBondContact NH1-O 2.91Å; R329-S342 PolarHBondContact NH1-O 3.15Å; R329-Y346 VanDerWaalsContact CZ-O 3.26Å; R329-Y346 PolarHBondContact NH1-O 3.14Å; R329-Y346 PolarHBondContact NH2-O 3.02Å; R329-P347 PolarHBondContact NH2-O 3.46Å; R329-W348 PolarHBondContact NH2-O 2.84Å; R329-D349 IonicContact NE-OD1 2.77Å; R329-D349 IonicContact NH2-OD1 3.6Å
330P86.1Confident83.1Confident37 Ų3769 Ų6924%0.2434%0.339CS..THydrogen-bonded Turntrans-56-31.6176.9-28.636.2000114.4V217 K332 A340V217-P330 HydrophobicContact CB-CB 4.29Å; V217-P330 HydrophobicContact CB-CG 4.37Å; V217-P330 HydrophobicContact CG1-CB 3.83Å; V217-P330 HydrophobicContact CG1-CG 4.13Å; V217-P330 HydrophobicContact CG2-CB 3.54Å; V217-P330 HydrophobicContact CG2-CG 3.73Å; P330-K332 PolarHBondContact O-N 2.68Å; P330-A340 HydrophobicContact CG-CB 3.94Å
331S80.1Confident82.9Confident109 Ų10967.7 Ų67.776%0.76233%0.332SS*.THydrogen-bonded Turntrans-74.1-11.217756.40000114.2R329R329-S331 PolarHBondContact O-N 2.67Å; R329-S331 VanDerWaalsContact O-N 3.16Å
332K72.5Confident82.6Confident86 Ų8668.1 Ų68.137%0.37434%0.336SS..  trans-104.497.1179.9-63.9179.3-174.5174.20107.9R329 P330 K334 F335R329-K332 HydrophobicContact CB-CB 4.37Å; R329-K332 HydrophobicContact CB-CD 4.01Å; R329-K332 HydrophobicContact CB-CG 4.03Å; R329-K332 HydrophobicContact CG-CD 4.24Å; R329-K332 PolarHBondContact O-N 3.24Å; P330-K332 PolarHBondContact O-N 2.68Å; K332-K334 PolarHBondContact O-N 3.18Å; K332-F335 HydrophobicContact CB-CD2 3.98Å; K332-F335 HydrophobicContact CB-CE2 4.14Å; K332-F335 HydrophobicContact CD-CE2 4.18Å; K332-F335 PolarHBondContact O-N 3.34Å
333E67.5Low82.3Confident196 Ų19669.6 Ų69.692%0.91635%0.347SS*.THydrogen-bonded Turntrans-54.9-7.3-177.3-63.4-177.4169.900115.8
334K72.2Confident82.3Confident199 Ų19970 Ų7087%0.86536%0.359SS*.THydrogen-bonded Turntrans-79.7-13.9-177.6-65.1-172.8178.2-176.90114.5K332K332-K334 PolarHBondContact O-N 3.18Å
335F75.8Confident83Confident78 Ų7866.1 Ų66.134%0.34233%0.332SS..SBendtrans-108.8149.2-174.3-60.9-73.3000112V326 A328 K332 L337V326-F335 HydrophobicContact CG1-CZ 4.16Å; A328-F335 HydrophobicContact CB-CB 3.51Å; A328-F335 HydrophobicContact CB-CD1 3.99Å; A328-F335 HydrophobicContact CB-CD2 4.08Å; A328-F335 HydrophobicContact CB-CG 3.6Å; K332-F335 HydrophobicContact CB-CD2 3.98Å; K332-F335 HydrophobicContact CB-CE2 4.14Å; K332-F335 HydrophobicContact CD-CE2 4.18Å; K332-F335 PolarHBondContact O-N 3.34Å; F335-L337 PolarHBondContact O-N 3.34Å
336D83.2Confident83.7Confident58 Ų5866.4 Ų66.431%0.3133%0.333SS..  trans-61123.4167.7-167.4-34.5000110R338 W339 A340D336-R338 VanDerWaalsContact CG-NE 3.32Å; D336-R338 PolarHBondContact O-N 2.99Å; D336-R338 VanDerWaalsContact O-N 3.15Å; D336-R338 VanDerWaalsContact OD1-CB 3.27Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.93Å; D336-R338 IonicContact OD1-NE 3.75Å; D336-R338 PolarHBondContact OD1-NE 2.96Å; D336-R338 VanDerWaalsContact OD1-NE 3.14Å; D336-R338 IonicContact OD2-CZ 2.76Å; D336-R338 IonicContact OD2-NE 3.82Å; D336-R338 PolarHBondContact OD2-NE 3.29Å; D336-R338 IonicContact OD2-NH2 2.74Å; D336-R338 PolarHBondContact OD2-NH2 3.42Å; D336-W339 HydrophobicContact CB-CD2 4.31Å; D336-W339 HydrophobicContact CB-CE3 3.68Å; D336-W339 HydrophobicContact CB-CZ3 3.86Å; D336-W339 PolarHBondContact O-N 3.3Å; D336-W339 VanDerWaalsContact O-N 3.15Å; D336-A340 PolarHBondContact O-N 3.2Å
337L87.1Confident83.4Confident69 Ų6964.2 Ų64.236%0.36132%0.32SS..G310 helixtrans-63.8-19.1-178.8-66.9178.6000113V219 F335 W339 A340V219-L337 HydrophobicContact CG2-CB 4.49Å; F335-L337 PolarHBondContact O-N 3.34Å; L337-W339 PolarHBondContact O-N 2.85Å; L337-A340 HydrophobicContact CD2-CB 4.18Å; L337-A340 PolarHBondContact O-N 3.37Å
338R89.4Confident83.2Confident77 Ų7767.4 Ų67.429%0.29133%0.332SS..G310 helixtrans-62-27.3175.4-63.2179.8-66.6164.83.2112.9V219 L221 F263 D336V219-R338 HydrophobicContact CG1-CG 4.25Å; L221-R338 HydrophobicContact CD2-CG 4.01Å; F263-R338 WeakPolarHBondContact CE1-O 3.47Å; D336-R338 VanDerWaalsContact CG-NE 3.32Å; D336-R338 PolarHBondContact O-N 2.99Å; D336-R338 VanDerWaalsContact O-N 3.15Å; D336-R338 VanDerWaalsContact OD1-CB 3.27Å; D336-R338 WeakPolarHBondContact OD1-CB 3.47Å; D336-R338 WeakPolarHBondContact OD1-CG 3.37Å; D336-R338 PolarHBondContact OD1-N 2.93Å; D336-R338 IonicContact OD1-NE 3.75Å; D336-R338 PolarHBondContact OD1-NE 2.96Å; D336-R338 VanDerWaalsContact OD1-NE 3.14Å; D336-R338 IonicContact OD2-CZ 2.76Å; D336-R338 IonicContact OD2-NE 3.82Å; D336-R338 PolarHBondContact OD2-NE 3.29Å; D336-R338 IonicContact OD2-NH2 2.74Å; D336-R338 PolarHBondContact OD2-NH2 3.42Å
339W89.9Confident82.9Confident122 Ų12270.9 Ų70.946%0.46235%0.349SS..G310 helixtrans-112.53.6-179.7-48.1-45000112.5Y262 D336 L337Y262-W339 PolarHBondContact OH-NE1 3.48Å; D336-W339 HydrophobicContact CB-CD2 4.31Å; D336-W339 HydrophobicContact CB-CE3 3.68Å; D336-W339 HydrophobicContact CB-CZ3 3.86Å; D336-W339 PolarHBondContact O-N 3.3Å; D336-W339 VanDerWaalsContact O-N 3.15Å; L337-W339 PolarHBondContact O-N 2.85Å
340A90.1Very high82.7Confident4 Ų477.6 Ų77.63%0.03338%0.375CS..  trans-75.5135.2178.600000111.2A328 P330 D336 L337 R381A328-A340 HydrophobicContact CB-CB 4.33Å; A328-A340 CarbonylContact O-C 3.56Å; A328-A340 VanDerWaalsContact O-CA 3.27Å; A328-A340 WeakPolarHBondContact O-CA 3.45Å; P330-A340 HydrophobicContact CG-CB 3.94Å; D336-A340 PolarHBondContact O-N 3.2Å; L337-A340 HydrophobicContact CD2-CB 4.18Å; L337-A340 PolarHBondContact O-N 3.37Å; A340-R381 PolarHBondContact O-NH2 2.91Å
341V89.1Confident82.7Confident0 Ų076.8 Ų76.80%037%0.367CS..  trans-128.5132.2-175.4174.80000109.1V327 A328 R329 E345 Y351 L380 I382V327-V341 HydrophobicContact CG1-CB 4.09Å; A328-V341 PolarHBondContact O-N 3.01Å; R329-V341 VanDerWaalsContact CD-O 3.24Å; R329-V341 WeakPolarHBondContact CD-O 3.19Å; R329-V341 PolarHBondContact NH1-O 2.91Å; V341-E345 HydrophobicContact CG1-CB 3.72Å; V341-E345 HydrophobicContact CG1-CG 3.68Å; V341-Y351 VanDerWaalsContact CG2-OH 3.31Å; V341-Y351 WeakPolarHBondContact CG2-OH 2.91Å; V341-L380 HydrophobicContact CG1-CD1 3.77Å; V341-L380 HydrophobicContact CG2-CD1 4.07Å; V341-I382 HydrophobicContact CG2-CG1 3.93Å
342S87.3Confident83.1Confident19 Ų1972.5 Ų72.513%0.13334%0.337CS..  trans-71.4163.4-179.6890000111D215 R329 N344 E345 Y346D215-S342 WeakPolarHBondContact OD2-CB 3.37Å; D215-S342 PolarHBondContact OD2-OG 3.29Å; R329-S342 PolarHBondContact NH1-O 3.15Å; S342-N344 PolarHBondContact O-N 3.18Å; S342-N344 PolarHBondContact OG-N 3.13Å; S342-N344 VanDerWaalsContact OG-N 3.1Å; S342-E345 PolarHBondContact O-N 3.21Å; S342-E345 PolarHBondContact OG-N 3Å; S342-Y346 PolarHBondContact O-N 3.26Å
343V84.2Confident83.9Confident72 Ų7271 Ų7144%0.43634%0.336SS..THydrogen-bonded Turntrans-65-29.3172.3177.10000111.1Y346 P347V343-Y346 CarbonylContact O-C 3.57Å; V343-P347 HydrophobicContact CG1-CB 4.35Å; V343-P347 WeakPolarHBondContact O-CA 3.3Å
344N82Confident85.1Confident142 Ų14263.2 Ų63.276%0.75930%0.299SS*.THydrogen-bonded Turntrans-71.1-35.1176.8-63.4-17.3000112S342S342-N344 PolarHBondContact O-N 3.18Å; S342-N344 PolarHBondContact OG-N 3.13Å; S342-N344 VanDerWaalsContact OG-N 3.1Å
345E84.3Confident86.2Confident35 Ų3554 Ų5416%0.16426%0.258CS..THydrogen-bonded Turntrans-79.7-38.4178.2-178-179.4-174.600111.9V341 S342 L380 R381V341-E345 HydrophobicContact CG1-CB 3.72Å; V341-E345 HydrophobicContact CG1-CG 3.68Å; S342-E345 PolarHBondContact O-N 3.21Å; S342-E345 PolarHBondContact OG-N 3Å; E345-L380 HydrophobicContact CG-CD1 3.7Å; E345-L380 WeakPolarHBondContact OE1-CD1 3.32Å; E345-R381 WeakPolarHBondContact OE1-CG 3.29Å; E345-R381 IonicContact OE1-CZ 2.85Å; E345-R381 IonicContact OE1-NE 3.39Å; E345-R381 PolarHBondContact OE1-NE 3.42Å; E345-R381 IonicContact OE1-NH2 2.72Å; E345-R381 PolarHBondContact OE1-NH2 2.94Å; E345-R381 IonicContact OE2-CZ 3.81Å; E345-R381 IonicContact OE2-NE 3.23Å; E345-R381 PolarHBondContact OE2-NE 3Å; E345-R381 IonicContact OE2-NH2 3.36Å; E345-R381 PolarHBondContact OE2-NH2 3.46Å
346Y85.1Confident87Confident11 Ų1154.4 Ų54.44%0.04326%0.258CS..  trans-148.7111173.1-175.6-100000110.3V327 R329 S342 V343 W348 Y350 Y351 I389V327-Y346 HydrophobicContact CG1-CD1 4.35Å; V327-Y346 HydrophobicContact CG2-CD1 3.61Å; V327-Y346 HydrophobicContact CG2-CE1 3.51Å; R329-Y346 VanDerWaalsContact CZ-O 3.26Å; R329-Y346 PolarHBondContact NH1-O 3.14Å; R329-Y346 PolarHBondContact NH2-O 3.02Å; S342-Y346 PolarHBondContact O-N 3.26Å; V343-Y346 CarbonylContact O-C 3.57Å; Y346-W348 HydrophobicContact CD1-CB 4.38Å; Y346-W348 HydrophobicContact CD1-CE3 4.16Å; Y346-W348 WeakPolarHBondContact CD1-O 3.48Å; Y346-W348 AromaticContact CD2-CE3 3.57Å; Y346-W348 HydrophobicContact CD2-CE3 3.57Å; Y346-W348 AromaticContact CD2-CZ3 3.68Å; Y346-W348 HydrophobicContact CD2-CZ3 3.68Å; Y346-W348 HydrophobicContact CE1-CB 3.67Å; Y346-W348 HydrophobicContact CE1-CD2 4.47Å; Y346-W348 AromaticContact CE1-CE3 3.82Å; Y346-W348 HydrophobicContact CE1-CE3 3.82Å; Y346-W348 HydrophobicContact CE1-CG 4.49Å; Y346-W348 WeakPolarHBondContact CE1-O 3.45Å; Y346-W348 HydrophobicContact CE2-CD2 4.32Å; Y346-W348 AromaticContact CE2-CE3 3.17Å; Y346-W348 HydrophobicContact CE2-CE3 3.17Å; Y346-W348 AromaticContact CE2-CZ3 3.31Å; Y346-W348 HydrophobicContact CE2-CZ3 3.31Å; Y346-W348 HydrophobicContact CG-CE3 4.05Å; Y346-W348 AromaticContact CZ-CE3 3.31Å; Y346-W348 AromaticContact CZ-CZ3 3.92Å; Y346-W348 PolarHBondContact O-N 3.35Å; Y346-Y350 WeakPolarHBondContact CE1-O 3.14Å; Y346-Y350 PolarHBondContact OH-O 3.4Å; Y346-Y351 HydrophobicContact CD1-CD1 4.12Å; Y346-Y351 AromaticContact CD1-CE1 3.68Å; Y346-Y351 HydrophobicContact CD1-CE1 3.68Å; Y346-Y351 HydrophobicContact CD2-CE1 4.18Å; Y346-Y351 AromaticContact CE1-CD1 3.62Å; Y346-Y351 HydrophobicContact CE1-CD1 3.62Å; Y346-Y351 AromaticContact CE1-CE1 3.69Å; Y346-Y351 HydrophobicContact CE1-CE1 3.69Å; Y346-Y351 HydrophobicContact CE1-CG 4.49Å; Y346-Y351 HydrophobicContact CE2-CD1 4.11Å; Y346-Y351 HydrophobicContact CE2-CE1 4.18Å; Y346-Y351 AromaticContact CG-CE1 3.93Å; Y346-Y351 HydrophobicContact CG-CE1 3.93Å; Y346-Y351 AromaticContact CZ-CD1 3.62Å; Y346-Y351 AromaticContact CZ-CE1 3.96Å; Y346-I389 HydrophobicContact CD2-CD1 4.06Å; Y346-I389 HydrophobicContact CE2-CD1 3.52Å; Y346-I389 HydrophobicContact CE2-CG1 4.27Å
347P79.5Confident87.2Confident15 Ų1552.4 Ų52.410%0.09725%0.251CS..  trans-77.9-24.6-167.423.9-30.1000114.6L88 H112 R329 V343L88-P347 HydrophobicContact CD1-CB 3.74Å; L88-P347 HydrophobicContact CD1-CG 3.92Å; L88-P347 HydrophobicContact CD2-CB 4.28Å; H112-P347 WeakPolarHBondContact NE2-CG 3.5Å; R329-P347 PolarHBondContact NH2-O 3.46Å; V343-P347 HydrophobicContact CG1-CB 4.35Å; V343-P347 WeakPolarHBondContact O-CA 3.3Å
348W83Confident87.4Confident68 Ų6849.4 Ų49.426%0.25824%0.235SC..SBendtrans-79.6149.8-178.4-50.8-90.9000112.9H112 P114 Y116 V327 R329 Y346 Y350H112-W348 AromaticContact CE1-CH2 3.03Å; H112-W348 WeakPolarHBondContact CE1-CH2 3.19Å; H112-W348 AromaticContact CE1-CZ2 3.29Å; H112-W348 WeakPolarHBondContact CE1-CZ2 3.34Å; H112-W348 AromaticContact CE1-CZ3 3.76Å; H112-W348 AromaticContact NE2-CH2 3.47Å; H112-W348 WeakPolarHBondContact NE2-CH2 3.42Å; H112-W348 AromaticContact NE2-CZ2 3.54Å; H112-W348 AromaticContact NE2-CZ3 3.86Å; P114-W348 HydrophobicContact CG-CH2 3.82Å; P114-W348 HydrophobicContact CG-CZ3 3.92Å; Y116-W348 HydrophobicContact CD2-CH2 4.24Å; Y116-W348 HydrophobicContact CD2-CZ2 4.05Å; Y116-W348 AromaticContact CE2-CH2 3.99Å; Y116-W348 HydrophobicContact CE2-CH2 3.99Å; Y116-W348 AromaticContact CE2-CZ2 3.83Å; Y116-W348 HydrophobicContact CE2-CZ2 3.83Å; V327-W348 WeakPolarHBondContact CG2-O 3.38Å; R329-W348 PolarHBondContact NH2-O 2.84Å; Y346-W348 HydrophobicContact CD1-CB 4.38Å; Y346-W348 HydrophobicContact CD1-CE3 4.16Å; Y346-W348 WeakPolarHBondContact CD1-O 3.48Å; Y346-W348 AromaticContact CD2-CE3 3.57Å; Y346-W348 HydrophobicContact CD2-CE3 3.57Å; Y346-W348 AromaticContact CD2-CZ3 3.68Å; Y346-W348 HydrophobicContact CD2-CZ3 3.68Å; Y346-W348 HydrophobicContact CE1-CB 3.67Å; Y346-W348 HydrophobicContact CE1-CD2 4.47Å; Y346-W348 AromaticContact CE1-CE3 3.82Å; Y346-W348 HydrophobicContact CE1-CE3 3.82Å; Y346-W348 HydrophobicContact CE1-CG 4.49Å; Y346-W348 WeakPolarHBondContact CE1-O 3.45Å; Y346-W348 HydrophobicContact CE2-CD2 4.32Å; Y346-W348 AromaticContact CE2-CE3 3.17Å; Y346-W348 HydrophobicContact CE2-CE3 3.17Å; Y346-W348 AromaticContact CE2-CZ3 3.31Å; Y346-W348 HydrophobicContact CE2-CZ3 3.31Å; Y346-W348 HydrophobicContact CG-CE3 4.05Å; Y346-W348 AromaticContact CZ-CE3 3.31Å; Y346-W348 AromaticContact CZ-CZ3 3.92Å; Y346-W348 PolarHBondContact O-N 3.35Å; W348-Y350 VanDerWaalsContact C-N 3.29Å; W348-Y350 PolarHBondContact O-N 3.46Å
349D83.6Confident87.7Confident84 Ų8445.8 Ų45.845%0.44922%0.222SC..SBendtrans-79.4-9.8179.3-77.3-32.1000114.7V326 V327 R329V326-D349 WeakPolarHBondContact CA-O 3.48Å; V327-D349 PolarHBondContact N-O 3.26Å; R329-D349 IonicContact NE-OD1 2.77Å; R329-D349 IonicContact NH2-OD1 3.6Å
350Y84.3Confident88.1Confident149 Ų14941 Ų4158%0.58420%0.204SC*.EExtended strand (participates in β ladder)trans-132.9138.4-179.2-61.1-91.4000110.7S325 V326 Y346 W348S325-Y350 WeakPolarHBondContact O-CA 3.47Å; V326-Y350 HydrophobicContact CG2-CD1 4.13Å; V326-Y350 HydrophobicContact CG2-CE1 3.6Å; Y346-Y350 WeakPolarHBondContact CE1-O 3.14Å; Y346-Y350 PolarHBondContact OH-O 3.4Å; W348-Y350 VanDerWaalsContact C-N 3.29Å; W348-Y350 PolarHBondContact O-N 3.46Å
351Y86Confident88.4Confident19 Ų1940.9 Ų40.98%0.07520%0.203CC..EExtended strand (participates in β ladder)trans-80.6150.9163.4-61.3-64.6000110.1S325 V327 V341 Y346 Y354 L380 I389S325-Y351 PolarHBondContact O-N 3.46Å; V327-Y351 HydrophobicContact CB-CE2 4.02Å; V327-Y351 HydrophobicContact CG1-CE2 4.08Å; V327-Y351 HydrophobicContact CG2-CD1 3.93Å; V327-Y351 HydrophobicContact CG2-CD2 3.63Å; V327-Y351 HydrophobicContact CG2-CE1 3.78Å; V327-Y351 HydrophobicContact CG2-CE2 3.48Å; V327-Y351 VanDerWaalsContact CG2-CE2 3.48Å; V327-Y351 HydrophobicContact CG2-CG 3.87Å; V341-Y351 VanDerWaalsContact CG2-OH 3.31Å; V341-Y351 WeakPolarHBondContact CG2-OH 2.91Å; Y346-Y351 HydrophobicContact CD1-CD1 4.12Å; Y346-Y351 AromaticContact CD1-CE1 3.68Å; Y346-Y351 HydrophobicContact CD1-CE1 3.68Å; Y346-Y351 HydrophobicContact CD2-CE1 4.18Å; Y346-Y351 AromaticContact CE1-CD1 3.62Å; Y346-Y351 HydrophobicContact CE1-CD1 3.62Å; Y346-Y351 AromaticContact CE1-CE1 3.69Å; Y346-Y351 HydrophobicContact CE1-CE1 3.69Å; Y346-Y351 HydrophobicContact CE1-CG 4.49Å; Y346-Y351 HydrophobicContact CE2-CD1 4.11Å; Y346-Y351 HydrophobicContact CE2-CE1 4.18Å; Y346-Y351 AromaticContact CG-CE1 3.93Å; Y346-Y351 HydrophobicContact CG-CE1 3.93Å; Y346-Y351 AromaticContact CZ-CD1 3.62Å; Y346-Y351 AromaticContact CZ-CE1 3.96Å; Y351-Y354 HydrophobicContact CD2-CE1 4.14Å; Y351-Y354 HydrophobicContact CG-CE1 4.42Å; Y351-L380 HydrophobicContact CE1-CD2 3.69Å; Y351-I389 HydrophobicContact CD1-CD1 4.36Å
352P88.5Confident88.9Confident20 Ų2040.9 Ų40.913%0.1320%0.203CC..PPolyproline II helixtrans-61.2165.7160.829.4-34.2000110.4Y354 I389P352-Y354 PolarHBondContact O-N 3.14Å; P352-I389 HydrophobicContact CG-CB 4.45Å; P352-I389 HydrophobicContact CG-CG1 3.89Å
353P89.4Confident89.4Confident53 Ų5340 Ų4034%0.34420%0.197SC..PPolyproline II helixtrans-52.3139.3173-26.435.3000111.7V321 H322 G388 L398V321-P353 HydrophobicContact CG1-CB 4.21Å; H322-P353 WeakPolarHBondContact O-CA 3.36Å; P353-G388 WeakPolarHBondContact O-CA 3.36Å; P353-L398 VanDerWaalsContact C-CD1 3.48Å; P353-L398 HydrophobicContact CB-CD1 3.91Å; P353-L398 WeakPolarHBondContact O-CD1 3.34Å
354Y94Very high90Very high34 Ų3437.6 Ų37.613%0.13318%0.183CC..EExtended strand (participates in β ladder)trans-141.9173177.463-102.5000111H322 S325 Y351 P352 D384H322-Y354 HydrophobicContact CB-CD2 4.11Å; H322-Y354 HydrophobicContact CB-CE2 3.83Å; H322-Y354 AromaticContact CG-CZ 3.98Å; H322-Y354 PolarHBondContact N-O 3.37Å; H322-Y354 PolarHBondContact O-N 3.47Å; S325-Y354 WeakPolarHBondContact OG-CE1 3.09Å; S325-Y354 PolarHBondContact OG-OH 3.3Å; Y351-Y354 HydrophobicContact CD2-CE1 4.14Å; Y351-Y354 HydrophobicContact CG-CE1 4.42Å; P352-Y354 PolarHBondContact O-N 3.14Å; Y354-D384 WeakPolarHBondContact CB-O 3.29Å; Y354-D384 HydrophobicContact CD2-CB 3.93Å; Y354-D384 HydrophobicContact CE2-CB 4.14Å
355F95.2Very high90.6Very high4 Ų434.5 Ų34.52%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-94.4139174.1-60.8-55.8000111.2V317 G318 G319 L320 V321 Y360 L362 L391 L398V317-F355 HydrophobicContact CG1-CE2 3.92Å; V317-F355 HydrophobicContact CG1-CZ 3.87Å; G318-F355 VanDerWaalsContact C-CZ 3.49Å; G319-F355 VanDerWaalsContact CA-CD1 3.41Å; G319-F355 VanDerWaalsContact CA-CE1 3.43Å; L320-F355 VanDerWaalsContact O-CA 3.3Å; L320-F355 WeakPolarHBondContact O-CA 3.37Å; V321-F355 HydrophobicContact CG2-CD1 3.9Å; V321-F355 HydrophobicContact CG2-CE1 3.6Å; F355-Y360 HydrophobicContact CB-CD1 4.37Å; F355-Y360 HydrophobicContact CD2-CD1 4.47Å; F355-Y360 HydrophobicContact CD2-CD2 4.46Å; F355-Y360 AromaticContact CD2-CG 3.95Å; F355-Y360 HydrophobicContact CD2-CG 3.95Å; F355-L362 HydrophobicContact CE2-CD2 4.39Å; F355-L391 HydrophobicContact CE2-CD1 4.07Å; F355-L398 HydrophobicContact CD1-CD1 4.45Å; F355-L398 HydrophobicContact CE1-CB 3.94Å; F355-L398 HydrophobicContact CE1-CD1 4.22Å; F355-L398 HydrophobicContact CE1-CD2 4.48Å; F355-L398 HydrophobicContact CE1-CG 4.45Å; F355-L398 HydrophobicContact CE2-CD2 4.05Å; F355-L398 HydrophobicContact CZ-CB 3.99Å; F355-L398 HydrophobicContact CZ-CD1 4.33Å; F355-L398 HydrophobicContact CZ-CD2 3.84Å; F355-L398 HydrophobicContact CZ-CG 4.27Å
356Y91.7Very high91.1Very high88 Ų8832.8 Ų32.835%0.34516%0.159SC..EExtended strand (participates in β ladder)trans-57.3140.9167.7-71.9-92.5000110.3L320 H322 I358L320-Y356 HydrophobicContact CB-CD2 4.13Å; L320-Y356 HydrophobicContact CD2-CD2 3.59Å; L320-Y356 HydrophobicContact CD2-CE2 4.04Å; L320-Y356 HydrophobicContact CD2-CG 4.1Å; L320-Y356 HydrophobicContact CG-CD2 3.62Å; L320-Y356 HydrophobicContact CG-CE2 4.07Å; L320-Y356 WeakPolarHBondContact O-CD2 3.35Å; L320-Y356 PolarHBondContact O-N 3.15Å; H322-Y356 HydrophobicContact CB-CD2 4.1Å; H322-Y356 HydrophobicContact CB-CE2 3.69Å; H322-Y356 AromaticContact CD2-CE1 3.57Å; H322-Y356 AromaticContact CD2-CE2 3.96Å; H322-Y356 AromaticContact CD2-CZ 3.31Å; H322-Y356 PolarHBondContact CD2-OH 3.43Å; H322-Y356 AromaticContact CG-CZ 3.88Å; Y356-I358 HydrophobicContact CG-CD1 4.45Å; Y356-I358 PolarHBondContact O-N 3.29Å
357G88Confident91.7Very high16 Ų1632.3 Ų32.317%0.16516%0.157CC..EExtended strand (participates in β ladder)trans-65.221.5-17900000116.8D384G357-D384 VanDerWaalsContact CA-CG 3.5Å; G357-D384 VanDerWaalsContact CA-OD1 3.25Å; G357-D384 WeakPolarHBondContact CA-OD1 3.45Å; G357-D384 WeakPolarHBondContact CA-OD2 3.49Å; G357-D384 PolarHBondContact N-OD2 2.92Å
358I91.7Very high92.3Very high5 Ų534.3 Ų34.33%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-76.3-49.1173.2-59145.4000109.4V290 D291 Y294 L320 Y356 M406 I419V290-I358 WeakPolarHBondContact CG2-O 3.38Å; D291-I358 PolarHBondContact N-O 2.93Å; Y294-I358 HydrophobicContact CD1-CG2 3.82Å; Y294-I358 HydrophobicContact CD2-CG2 4.22Å; Y294-I358 HydrophobicContact CE1-CB 4.45Å; Y294-I358 HydrophobicContact CE1-CG1 4.28Å; Y294-I358 HydrophobicContact CE1-CG2 3.72Å; Y294-I358 HydrophobicContact CE2-CB 4.23Å; Y294-I358 HydrophobicContact CE2-CG1 4.28Å; Y294-I358 HydrophobicContact CE2-CG2 4.12Å; Y294-I358 HydrophobicContact CG-CG2 4.09Å; L320-I358 HydrophobicContact CD2-CD1 3.85Å; Y356-I358 HydrophobicContact CG-CD1 4.45Å; Y356-I358 PolarHBondContact O-N 3.29Å; I358-M406 HydrophobicContact CD1-CE 4.21Å; I358-M406 HydrophobicContact CD1-CG 3.24Å; I358-M406 HydrophobicContact CD1-SD 3.64Å; I358-M406 HydrophobicContact CG1-CG 3.72Å; I358-M406 HydrophobicContact CG1-SD 3.79Å; I358-I419 HydrophobicContact CG2-CB 4.28Å; I358-I419 HydrophobicContact CG2-CD1 4.4Å; I358-I419 HydrophobicContact CG2-CG2 3.68Å
359G94.6Very high92.5Very high1 Ų132.5 Ų32.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans164.2157.1179.400000113.6F289F289-G359 CarbonylContact O-C 3.57Å; F289-G359 WeakPolarHBondContact O-CA 3.27Å
360Y97.6Very high92.9Very high21 Ų2128.5 Ų28.58%0.08215%0.145CC..EExtended strand (participates in β ladder)trans-155152.7-174.556.4-96.4000111.8Y273 L288 F289 G318 F355 L362 L387Y273-Y360 WeakPolarHBondContact OH-CE2 3.49Å; Y273-Y360 PolarHBondContact OH-OH 2.77Å; L288-Y360 WeakPolarHBondContact CA-O 3.1Å; F289-Y360 HydrophobicContact CB-CD1 4.27Å; F289-Y360 HydrophobicContact CB-CD2 3.99Å; F289-Y360 HydrophobicContact CB-CE1 3.81Å; F289-Y360 HydrophobicContact CB-CE2 3.52Å; F289-Y360 HydrophobicContact CB-CG 4.35Å; F289-Y360 VanDerWaalsContact CB-CZ 3.41Å; F289-Y360 HydrophobicContact CD1-CE2 4.29Å; F289-Y360 AromaticContact CD2-CD2 3.75Å; F289-Y360 HydrophobicContact CD2-CD2 3.75Å; F289-Y360 AromaticContact CD2-CE2 3.19Å; F289-Y360 HydrophobicContact CD2-CE2 3.19Å; F289-Y360 AromaticContact CD2-CZ 3.89Å; F289-Y360 AromaticContact CE2-CE2 3.92Å; F289-Y360 HydrophobicContact CE2-CE2 3.92Å; F289-Y360 HydrophobicContact CG-CD2 4.17Å; F289-Y360 HydrophobicContact CG-CE1 4.47Å; F289-Y360 AromaticContact CG-CE2 3.41Å; F289-Y360 HydrophobicContact CG-CE2 3.41Å; F289-Y360 VanDerWaalsContact CG-CE2 3.41Å; F289-Y360 AromaticContact CG-CZ 3.58Å; F289-Y360 PolarHBondContact N-O 2.6Å; F289-Y360 PolarHBondContact O-N 2.8Å; G318-Y360 CarbonylContact O-C 3.52Å; G318-Y360 WeakPolarHBondContact O-CA 3.38Å; G318-Y360 WeakPolarHBondContact O-CB 3.35Å; F355-Y360 HydrophobicContact CB-CD1 4.37Å; F355-Y360 HydrophobicContact CD2-CD1 4.47Å; F355-Y360 HydrophobicContact CD2-CD2 4.46Å; F355-Y360 AromaticContact CD2-CG 3.95Å; F355-Y360 HydrophobicContact CD2-CG 3.95Å; Y360-L362 HydrophobicContact CD2-CD1 4.13Å; Y360-L362 HydrophobicContact CD2-CD2 4.32Å; Y360-L362 HydrophobicContact CD2-CG 3.8Å; Y360-L362 HydrophobicContact CE2-CD1 3.8Å; Y360-L362 HydrophobicContact CE2-CG 3.97Å; Y360-L387 HydrophobicContact CD1-CD2 4.25Å; Y360-L387 HydrophobicContact CD2-CD2 4.11Å; Y360-L387 HydrophobicContact CE1-CD2 3.73Å; Y360-L387 HydrophobicContact CE2-CD2 3.56Å; Y360-L387 HydrophobicContact CG-CD2 4.42Å
361L97.7Very high93.3Very high3 Ų321.7 Ų21.72%0.01612%0.119CC..EExtended strand (participates in β ladder)trans-104.4123.2177.9-75.5172000110.5L163 L286 Y287 L288 L304 G318 M401 L404L163-L361 HydrophobicContact CD1-CD2 4.22Å; L286-L361 HydrophobicContact CD1-CB 4.44Å; L286-L361 HydrophobicContact CD1-CD2 4.45Å; L286-L361 HydrophobicContact CD2-CD2 3.91Å; L286-L361 HydrophobicContact CG-CD2 4.05Å; Y287-L361 WeakPolarHBondContact O-CA 3.28Å; L288-L361 HydrophobicContact CB-CD2 3.7Å; L288-L361 HydrophobicContact CD1-CD2 3.47Å; L288-L361 VanDerWaalsContact CD1-CD2 3.47Å; L288-L361 HydrophobicContact CD1-CG 3.68Å; L288-L361 HydrophobicContact CG-CD2 4.16Å; L304-L361 HydrophobicContact CD2-CD1 3.87Å; L304-L361 HydrophobicContact CG-CD1 4.47Å; G318-L361 PolarHBondContact N-O 3.35Å; G318-L361 PolarHBondContact O-N 2.8Å; L361-M401 HydrophobicContact CD1-SD 4.04Å; L361-L404 HydrophobicContact CD1-CD1 4.43Å; L361-L404 HydrophobicContact CG-CD1 4.35Å
362L98.3Very high93.2Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-122131.9171.1-60.5-177000110.7Y273 Y287 F289 T316 V317 F355 Y360 I366 V367 L391Y273-L362 HydrophobicContact CE1-CD1 3.99Å; Y273-L362 WeakPolarHBondContact OH-CD1 3.39Å; Y287-L362 PolarHBondContact N-O 2.68Å; Y287-L362 PolarHBondContact O-N 3.11Å; F289-L362 HydrophobicContact CE2-CB 4.33Å; F289-L362 HydrophobicContact CE2-CD1 4.2Å; F289-L362 HydrophobicContact CE2-CG 4.4Å; T316-L362 CarbonylContact O-C 3.54Å; T316-L362 WeakPolarHBondContact O-CA 3.49Å; V317-L362 HydrophobicContact CB-CD2 4.43Å; V317-L362 HydrophobicContact CG1-CD2 3.91Å; F355-L362 HydrophobicContact CE2-CD2 4.39Å; Y360-L362 HydrophobicContact CD2-CD1 4.13Å; Y360-L362 HydrophobicContact CD2-CD2 4.32Å; Y360-L362 HydrophobicContact CD2-CG 3.8Å; Y360-L362 HydrophobicContact CE2-CD1 3.8Å; Y360-L362 HydrophobicContact CE2-CG 3.97Å; L362-I366 HydrophobicContact CD2-CG2 4.14Å; L362-V367 HydrophobicContact CB-CG2 3.57Å; L362-V367 HydrophobicContact CD1-CG2 4.15Å; L362-L391 HydrophobicContact CD2-CD1 4.5Å
363G98.2Very high92.9Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-65150169.300000111.4L313 R314 T316 N365 I366 V367L313-G363 WeakPolarHBondContact O-CA 3.36Å; R314-G363 CarbonylContact O-C 3.57Å; R314-G363 VanDerWaalsContact O-CA 3.24Å; R314-G363 WeakPolarHBondContact O-CA 3.26Å; T316-G363 PolarHBondContact O-N 3.17Å; G363-N365 VanDerWaalsContact C-N 3.28Å; G363-N365 PolarHBondContact O-N 3.35Å; G363-I366 WeakPolarHBondContact O-CA 3.45Å; G363-I366 WeakPolarHBondContact O-CB 3.22Å; G363-I366 PolarHBondContact O-N 2.87Å; G363-V367 PolarHBondContact O-N 3.18Å
364S97Very high92.9Very high21 Ų2118.5 Ų18.515%0.14710%0.1CC..Hα-helixtrans-56.2-35.2-177.747.30000114.9T284 P285 R314 I366 S368T284-S364 WeakPolarHBondContact O-CB 3.49Å; P285-S364 PolarHBondContact O-N 2.99Å; P285-S364 PolarHBondContact O-OG 3.23Å; P285-S364 VanDerWaalsContact O-OG 3.05Å; R314-S364 WeakPolarHBondContact CG-OG 3.21Å; R314-S364 PolarHBondContact O-N 3.14Å; S364-I366 VanDerWaalsContact C-N 3.34Å; S364-S368 PolarHBondContact O-N 3.14Å; S364-S368 VanDerWaalsContact O-N 3.11Å
365N95Very high92.4Very high77 Ų7716.9 Ų16.941%0.4129%0.094SC..Hα-helixtrans-69-37.2174.8-63.8-4.6000110.8R314 G363 S368 D369R314-N365 VanDerWaalsContact O-CB 3.29Å; R314-N365 WeakPolarHBondContact O-CB 3.32Å; R314-N365 PolarHBondContact O-N 3.06Å; G363-N365 VanDerWaalsContact C-N 3.28Å; G363-N365 PolarHBondContact O-N 3.35Å; N365-S368 WeakPolarHBondContact O-CB 3.13Å; N365-S368 PolarHBondContact O-N 3.48Å; N365-D369 VanDerWaalsContact O-CG 3.23Å; N365-D369 PolarHBondContact O-N 2.78Å
366I95.6Very high91.7Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-65.8-42.7177.7-51-60.9000110.9V317 L362 G363 S364 S368 D369 A370 L391 R396V317-I366 HydrophobicContact CG2-CB 4.35Å; V317-I366 HydrophobicContact CG2-CD1 3.85Å; V317-I366 HydrophobicContact CG2-CG1 3.69Å; V317-I366 HydrophobicContact CG2-CG2 3.88Å; L362-I366 HydrophobicContact CD2-CG2 4.14Å; G363-I366 WeakPolarHBondContact O-CA 3.45Å; G363-I366 WeakPolarHBondContact O-CB 3.22Å; G363-I366 PolarHBondContact O-N 2.87Å; S364-I366 VanDerWaalsContact C-N 3.34Å; I366-S368 VanDerWaalsContact C-N 3.28Å; I366-S368 PolarHBondContact O-N 3.18Å; I366-D369 PolarHBondContact O-N 2.75Å; I366-A370 WeakPolarHBondContact O-CB 3.41Å; I366-A370 PolarHBondContact O-N 3.04Å; I366-L391 HydrophobicContact CG2-CD2 3.74Å; I366-R396 HydrophobicContact CD1-CG 4.42Å; I366-R396 VanDerWaalsContact CD1-CZ 3.47Å
367V96.3Very high91.1Very high1 Ų113 Ų131%0.0068%0.079CC..Hα-helixtrans-62.4-38.7176.1178.70000110.9Y273 T276 T277 Y287 F289 L362 G363 S371Y273-V367 HydrophobicContact CD1-CG1 4.01Å; Y273-V367 HydrophobicContact CE1-CG1 4.5Å; Y273-V367 HydrophobicContact CG-CG1 4.27Å; T276-V367 VanDerWaalsContact OG1-CG1 3.23Å; T276-V367 WeakPolarHBondContact OG1-CG1 3.44Å; T277-V367 HydrophobicContact CG2-CG1 4.07Å; Y287-V367 HydrophobicContact CD2-CB 4.21Å; Y287-V367 HydrophobicContact CD2-CG2 3.64Å; Y287-V367 HydrophobicContact CE2-CB 4.35Å; Y287-V367 HydrophobicContact CE2-CG2 4.27Å; Y287-V367 HydrophobicContact CG-CG2 4.28Å; F289-V367 HydrophobicContact CE2-CG2 4.18Å; F289-V367 HydrophobicContact CZ-CG2 4.33Å; L362-V367 HydrophobicContact CB-CG2 3.57Å; L362-V367 HydrophobicContact CD1-CG2 4.15Å; G363-V367 PolarHBondContact O-N 3.18Å; V367-S371 WeakPolarHBondContact O-CB 3.42Å; V367-S371 PolarHBondContact O-N 3.06Å
368S92Very high90.7Very high56 Ų5615.3 Ų15.339%0.3929%0.085SC..Hα-helixtrans-59.1-56.2172.6-166.30000112.4T277 S364 N365 I366 A370 S371 V372T277-S368 VanDerWaalsContact CG2-CA 3.47Å; S364-S368 PolarHBondContact O-N 3.14Å; S364-S368 VanDerWaalsContact O-N 3.11Å; N365-S368 WeakPolarHBondContact O-CB 3.13Å; N365-S368 PolarHBondContact O-N 3.48Å; I366-S368 VanDerWaalsContact C-N 3.28Å; I366-S368 PolarHBondContact O-N 3.18Å; S368-A370 VanDerWaalsContact C-N 3.3Å; S368-A370 PolarHBondContact O-N 2.8Å; S368-S371 PolarHBondContact O-N 3.11Å; S368-V372 PolarHBondContact O-N 3.26Å
369D88.9Confident90.4Very high31 Ų3117.1 Ų17.117%0.16610%0.098CC..Hα-helixtrans-60.3-41.8179.9-63.4-12.3000111.3L123 N365 I366 V372 A373 L394 R396L123-D369 HydrophobicContact CD1-CB 4.38Å; N365-D369 VanDerWaalsContact O-CG 3.23Å; N365-D369 PolarHBondContact O-N 2.78Å; I366-D369 PolarHBondContact O-N 2.75Å; D369-V372 PolarHBondContact O-N 3.41Å; D369-A373 WeakPolarHBondContact O-CB 3.28Å; D369-A373 PolarHBondContact O-N 2.78Å; D369-L394 HydrophobicContact CB-CD1 3.91Å; D369-L394 HydrophobicContact CB-CD2 3.84Å; D369-R396 IonicContact OD2-CZ 3.12Å; D369-R396 IonicContact OD2-NH2 3.85Å; D369-R396 PolarHBondContact OD2-NH2 3.3Å
370A91.6Very high90.1Very high0 Ų017.3 Ų17.30%010%0.099CC..Hα-helixtrans-67.3-39.7179.900000112.2Y273 I366 S368 V372 A373 I374 V390 L394Y273-A370 HydrophobicContact CD1-CB 3.82Å; Y273-A370 HydrophobicContact CE1-CB 3.61Å; I366-A370 WeakPolarHBondContact O-CB 3.41Å; I366-A370 PolarHBondContact O-N 3.04Å; S368-A370 VanDerWaalsContact C-N 3.3Å; S368-A370 PolarHBondContact O-N 2.8Å; A370-V372 PolarHBondContact O-N 2.97Å; A370-A373 PolarHBondContact O-N 2.97Å; A370-I374 WeakPolarHBondContact O-CB 3.09Å; A370-I374 WeakPolarHBondContact O-CD1 3.21Å; A370-I374 WeakPolarHBondContact O-CG1 3.38Å; A370-I374 PolarHBondContact O-N 2.96Å; A370-V390 HydrophobicContact CB-CG1 3.93Å; A370-L394 HydrophobicContact CB-CD1 4.11Å
371S91.3Very high89.8Confident6 Ų618 Ų184%0.04210%0.101CC..Hα-helixtrans-57.6-40.9175.6-173.70000111.4I68 T277 V367 S368I68-S371 VanDerWaalsContact CD1-O 3.31Å; I68-S371 WeakPolarHBondContact CD1-O 3.18Å; T277-S371 PolarHBondContact OG1-OG 3.36Å; V367-S371 WeakPolarHBondContact O-CB 3.42Å; V367-S371 PolarHBondContact O-N 3.06Å; S368-S371 PolarHBondContact O-N 3.11Å
372V84.4Confident89.6Confident21 Ų2118.7 Ų18.713%0.12711%0.105CC..Hα-helixtrans-68.6-51.5173.9175.30000110.9I68 L123 I126 S368 D369 A370 I374 A375 F376I68-V372 HydrophobicContact CG2-CG2 4.42Å; L123-V372 HydrophobicContact CD2-CB 3.71Å; L123-V372 HydrophobicContact CD2-CG1 3.65Å; L123-V372 HydrophobicContact CD2-CG2 3.97Å; I126-V372 HydrophobicContact CD1-CB 4.42Å; I126-V372 HydrophobicContact CD1-CG1 3.13Å; I126-V372 HydrophobicContact CD1-CG2 4.5Å; S368-V372 PolarHBondContact O-N 3.26Å; D369-V372 PolarHBondContact O-N 3.41Å; A370-V372 PolarHBondContact O-N 2.97Å; V372-I374 PolarHBondContact O-N 3.24Å; V372-A375 WeakPolarHBondContact O-CB 3.47Å; V372-A375 PolarHBondContact O-N 3.07Å; V372-F376 HydrophobicContact CG1-CD2 4.37Å; V372-F376 HydrophobicContact CG1-CE2 4.01Å; V372-F376 VanDerWaalsContact O-CD2 3.3Å; V372-F376 WeakPolarHBondContact O-CD2 3.25Å
373A83.2Confident89.4Confident0 Ų019.3 Ų19.30%011%0.109CC..Hα-helixtrans-56.7-36.9-178.300000113V119 D369 A370 A375 F376 T377 V390 L394V119-A373 HydrophobicContact CG1-CB 3.81Å; D369-A373 WeakPolarHBondContact O-CB 3.28Å; D369-A373 PolarHBondContact O-N 2.78Å; A370-A373 PolarHBondContact O-N 2.97Å; A373-A375 VanDerWaalsContact C-N 3.28Å; A373-A375 PolarHBondContact O-N 3.32Å; A373-F376 PolarHBondContact O-N 3.15Å; A373-T377 WeakPolarHBondContact O-CB 3.33Å; A373-T377 PolarHBondContact O-N 3.25Å; A373-T377 PolarHBondContact O-OG1 3.36Å; A373-V390 HydrophobicContact CB-CG1 3.83Å; A373-L394 HydrophobicContact CB-CD1 4.05Å; A373-L394 HydrophobicContact CB-CD2 4.17Å; A373-L394 HydrophobicContact CB-CG 3.99Å
374I88.8Confident89.2Confident3 Ų321 Ų212%0.01512%0.118CC..Hα-helixtrans-56.3-40.4174.1-77.4164.5000111.5N138 M269 M270 Y273 A370 V372 F376 T377 F386 V390N138-I374 PolarHBondContact ND2-O 3.49Å; M269-I374 HydrophobicContact CE-CD1 3.84Å; M269-I374 HydrophobicContact CE-CG1 4.35Å; M270-I374 HydrophobicContact CE-CG2 4Å; M270-I374 HydrophobicContact CG-CG2 3.69Å; M270-I374 HydrophobicContact SD-CG2 3.92Å; Y273-I374 HydrophobicContact CD1-CD1 3.79Å; Y273-I374 HydrophobicContact CE1-CD1 4.28Å; Y273-I374 HydrophobicContact CG-CD1 4Å; A370-I374 WeakPolarHBondContact O-CB 3.09Å; A370-I374 WeakPolarHBondContact O-CD1 3.21Å; A370-I374 WeakPolarHBondContact O-CG1 3.38Å; A370-I374 PolarHBondContact O-N 2.96Å; V372-I374 PolarHBondContact O-N 3.24Å; I374-F376 PolarHBondContact O-N 3.43Å; I374-F376 VanDerWaalsContact O-N 3.12Å; I374-T377 PolarHBondContact O-N 3.32Å; I374-F386 HydrophobicContact CG1-CE1 4.01Å; I374-F386 HydrophobicContact CG1-CZ 4.29Å; I374-F386 HydrophobicContact CG2-CE1 4.28Å; I374-F386 HydrophobicContact CG2-CZ 4.25Å; I374-V390 HydrophobicContact CG1-CG1 4.11Å; I374-V390 HydrophobicContact CG1-CG2 3.78Å
375A84.4Confident89Confident0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-55.2-33.8179.800000112.4I68 P136 V137 N138 V372 A373I68-A375 HydrophobicContact CD1-CB 3.24Å; P136-A375 CarbonylContact C-O 3.43Å; P136-A375 VanDerWaalsContact C-O 3.23Å; P136-A375 WeakPolarHBondContact CA-O 3.37Å; P136-A375 HydrophobicContact CB-CB 3.59Å; P136-A375 WeakPolarHBondContact CB-O 3.3Å; P136-A375 HydrophobicContact CG-CB 4.31Å; V137-A375 PolarHBondContact N-O 3.17Å; N138-A375 CarbonylContact C-O 3.44Å; N138-A375 PolarHBondContact N-O 3.19Å; V372-A375 WeakPolarHBondContact O-CB 3.47Å; V372-A375 PolarHBondContact O-N 3.07Å; A373-A375 VanDerWaalsContact C-N 3.28Å; A373-A375 PolarHBondContact O-N 3.32Å
376F79.2Confident89Confident11 Ų1116.4 Ų16.45%0.0489%0.091CC..THydrogen-bonded Turntrans-109.26.5-172.4-62-89.4000112.9F117 I126 L130 A134 P136 V372 A373 I374F117-F376 HydrophobicContact CE1-CB 3.43Å; F117-F376 VanDerWaalsContact CE1-CB 3.43Å; F117-F376 HydrophobicContact CE1-CD1 4.45Å; F117-F376 HydrophobicContact CE1-CG 4.2Å; F117-F376 HydrophobicContact CE2-CB 4.37Å; F117-F376 HydrophobicContact CZ-CB 3.19Å; F117-F376 HydrophobicContact CZ-CD1 4.26Å; F117-F376 HydrophobicContact CZ-CD2 4.37Å; F117-F376 AromaticContact CZ-CG 3.75Å; F117-F376 HydrophobicContact CZ-CG 3.75Å; I126-F376 HydrophobicContact CD1-CE2 3.64Å; I126-F376 HydrophobicContact CD1-CZ 3.97Å; I126-F376 HydrophobicContact CG1-CE2 4.34Å; I126-F376 HydrophobicContact CG1-CZ 4.16Å; L130-F376 HydrophobicContact CD1-CE1 3.98Å; L130-F376 HydrophobicContact CD1-CZ 3.8Å; L130-F376 HydrophobicContact CD2-CE1 4.21Å; L130-F376 HydrophobicContact CD2-CZ 4.31Å; A134-F376 WeakPolarHBondContact O-CE1 3.33Å; P136-F376 HydrophobicContact CB-CD1 3.71Å; P136-F376 HydrophobicContact CB-CD2 4.25Å; P136-F376 HydrophobicContact CB-CE1 3.73Å; P136-F376 HydrophobicContact CB-CE2 4.23Å; P136-F376 HydrophobicContact CB-CG 3.97Å; P136-F376 HydrophobicContact CB-CZ 3.99Å; P136-F376 HydrophobicContact CG-CD1 4.25Å; P136-F376 HydrophobicContact CG-CE1 3.73Å; P136-F376 HydrophobicContact CG-CE2 4.29Å; P136-F376 HydrophobicContact CG-CZ 3.75Å; V372-F376 HydrophobicContact CG1-CD2 4.37Å; V372-F376 HydrophobicContact CG1-CE2 4.01Å; V372-F376 VanDerWaalsContact O-CD2 3.3Å; V372-F376 WeakPolarHBondContact O-CD2 3.25Å; A373-F376 PolarHBondContact O-N 3.15Å; I374-F376 PolarHBondContact O-N 3.43Å; I374-F376 VanDerWaalsContact O-N 3.12Å
377T78.6Confident88.9Confident0 Ų016.5 Ų16.50%09%0.092CC..SBendtrans-108.3119.7179.2-56.90000108.6P114 N138 A373 I374 S379 F386 I389 V390 R393P114-T377 HydrophobicContact CB-CG2 4.01Å; N138-T377 PolarHBondContact ND2-O 3.42Å; A373-T377 WeakPolarHBondContact O-CB 3.33Å; A373-T377 PolarHBondContact O-N 3.25Å; A373-T377 PolarHBondContact O-OG1 3.36Å; I374-T377 PolarHBondContact O-N 3.32Å; T377-S379 PolarHBondContact O-N 3.13Å; T377-F386 HydrophobicContact CG2-CD2 4.32Å; T377-F386 HydrophobicContact CG2-CE2 3.65Å; T377-F386 HydrophobicContact CG2-CZ 4.39Å; T377-I389 HydrophobicContact CG2-CG2 3.76Å; T377-V390 HydrophobicContact CG2-CG2 4.17Å; T377-R393 WeakPolarHBondContact OG1-CD 3.48Å; T377-R393 PolarHBondContact OG1-NE 2.86Å
378Q80.5Confident88.8Confident65 Ų6516.5 Ų16.530%0.3049%0.092SC..  trans-48.1126.1177-178.462.137.600111.4H113 P114 L380 F386H113-Q378 HydrophobicContact CB-CB 3.88Å; H113-Q378 HydrophobicContact CB-CG 3.86Å; H113-Q378 PolarHBondContact ND1-OE1 3.31Å; P114-Q378 HydrophobicContact CB-CB 3.83Å; Q378-L380 PolarHBondContact O-N 3.3Å; Q378-F386 VanDerWaalsContact O-CE2 3.22Å; Q378-F386 WeakPolarHBondContact O-CE2 3.09Å
379S85.7Confident88.6Confident43 Ų4314.2 Ų14.230%0.3018%0.076SC..  trans-57.1133.4177.3-730000111.2N138 M270 T377N138-S379 PolarHBondContact ND2-OG 3.37Å; N138-S379 PolarHBondContact OD1-OG 3.23Å; M270-S379 WeakPolarHBondContact CE-OG 3.03Å; T377-S379 PolarHBondContact O-N 3.13Å
380L88.5Confident88.7Confident5 Ų512.8 Ų12.83%0.0267%0.068CC..  trans-118.1140.8169.1177.171.1000108.2T266 V341 E345 Y351 Q378 I382 S385 F386 I389T266-L380 WeakPolarHBondContact CB-O 3.41Å; T266-L380 PolarHBondContact OG1-O 2.89Å; V341-L380 HydrophobicContact CG1-CD1 3.77Å; V341-L380 HydrophobicContact CG2-CD1 4.07Å; E345-L380 HydrophobicContact CG-CD1 3.7Å; E345-L380 WeakPolarHBondContact OE1-CD1 3.32Å; Y351-L380 HydrophobicContact CE1-CD2 3.69Å; Q378-L380 PolarHBondContact O-N 3.3Å; L380-I382 HydrophobicContact CD2-CB 4.41Å; L380-I382 HydrophobicContact CG-CB 4.46Å; L380-I382 PolarHBondContact O-N 2.76Å; L380-S385 WeakPolarHBondContact CD2-OG 3.4Å; L380-F386 HydrophobicContact CB-CB 4.11Å; L380-F386 HydrophobicContact CB-CD2 4.07Å; L380-F386 HydrophobicContact CB-CG 4.46Å; L380-I389 HydrophobicContact CD2-CD1 4.18Å
381R89.9Confident88.6Confident34 Ų3412.8 Ų12.813%0.1287%0.068CC..SBendtrans-71.1-13.7-174.8-62.5176.4-62.9108.21.1114.4F214 F263 A340 E345F214-R381 VanDerWaalsContact CD1-CD 3.45Å; F214-R381 VanDerWaalsContact CD2-CZ 3.47Å; F214-R381 VanDerWaalsContact CG-CZ 3.41Å; F263-R381 HydrophobicContact CD1-CB 4.3Å; F263-R381 VanDerWaalsContact CE1-NH1 3.31Å; A340-R381 PolarHBondContact O-NH2 2.91Å; E345-R381 WeakPolarHBondContact OE1-CG 3.29Å; E345-R381 IonicContact OE1-CZ 2.85Å; E345-R381 IonicContact OE1-NE 3.39Å; E345-R381 PolarHBondContact OE1-NE 3.42Å; E345-R381 IonicContact OE1-NH2 2.72Å; E345-R381 PolarHBondContact OE1-NH2 2.94Å; E345-R381 IonicContact OE2-CZ 3.81Å; E345-R381 IonicContact OE2-NE 3.23Å; E345-R381 PolarHBondContact OE2-NE 3Å; E345-R381 IonicContact OE2-NH2 3.36Å; E345-R381 PolarHBondContact OE2-NH2 3.46Å
382I93.3Very high88.4Confident19 Ų1914.8 Ų14.810%0.0978%0.082CC..  trans-96.9103.9176.2-48.7-54.2000107.2V341 L380 S385 F386V341-I382 HydrophobicContact CG2-CG1 3.93Å; L380-I382 HydrophobicContact CD2-CB 4.41Å; L380-I382 HydrophobicContact CG-CB 4.46Å; L380-I382 PolarHBondContact O-N 2.76Å; I382-S385 WeakPolarHBondContact CB-OG 3.03Å; I382-S385 WeakPolarHBondContact CG2-OG 3.47Å; I382-S385 PolarHBondContact O-OG 3.16Å; I382-F386 VanDerWaalsContact O-CB 3.23Å; I382-F386 WeakPolarHBondContact O-CB 3.44Å; I382-F386 PolarHBondContact O-N 3.23Å
383D95Very high88.2Confident13 Ų1314.6 Ų14.67%0.078%0.079CC..Hα-helixtrans-66.7-38.5-170.557.5-44.7000112.8K168 L265 F386 L387K168-D383 IonicContact NZ-OD1 2.83Å; K168-D383 IonicContact NZ-OD2 2.79Å; K168-D383 PolarHBondContact NZ-OD2 3.23Å; L265-D383 HydrophobicContact CB-CB 4.13Å; D383-F386 PolarHBondContact O-N 2.76Å; D383-L387 WeakPolarHBondContact O-CB 3.46Å; D383-L387 PolarHBondContact O-N 3.05Å
384D94.5Very high88.1Confident35 Ų3515.1 Ų15.119%0.1878%0.081CC..Hα-helixtrans-57.6-54.4177.1-64.1-1.7000111.9Y354 G357 L387 G388Y354-D384 WeakPolarHBondContact CB-O 3.29Å; Y354-D384 HydrophobicContact CD2-CB 3.93Å; Y354-D384 HydrophobicContact CE2-CB 4.14Å; G357-D384 VanDerWaalsContact CA-CG 3.5Å; G357-D384 VanDerWaalsContact CA-OD1 3.25Å; G357-D384 WeakPolarHBondContact CA-OD1 3.45Å; G357-D384 WeakPolarHBondContact CA-OD2 3.49Å; G357-D384 PolarHBondContact N-OD2 2.92Å; D384-L387 PolarHBondContact O-N 3.5Å; D384-G388 PolarHBondContact O-N 2.85Å; D384-G388 VanDerWaalsContact O-N 3.07Å
385S92.7Very high87.9Confident1 Ų121.9 Ų21.91%0.00712%0.118CC..Hα-helixtrans-71.3-33-179.660.40000111.6L380 I382 G388 I389L380-S385 WeakPolarHBondContact CD2-OG 3.4Å; I382-S385 WeakPolarHBondContact CB-OG 3.03Å; I382-S385 WeakPolarHBondContact CG2-OG 3.47Å; I382-S385 PolarHBondContact O-OG 3.16Å; S385-G388 PolarHBondContact O-N 3.17Å; S385-I389 WeakPolarHBondContact O-CG1 3.49Å; S385-I389 PolarHBondContact O-N 2.94Å
386F93.7Very high88Confident0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-59.7-45.3171.4179.9-112000111.7T266 M269 M270 I374 T377 Q378 L380 I382 D383 G388 I389 V390T266-F386 HydrophobicContact CG2-CD1 3.43Å; T266-F386 VanDerWaalsContact CG2-CD1 3.43Å; T266-F386 HydrophobicContact CG2-CE1 3.66Å; T266-F386 HydrophobicContact CG2-CG 4.02Å; T266-F386 HydrophobicContact CG2-CZ 4.41Å; M269-F386 HydrophobicContact CE-CD1 3.31Å; M269-F386 HydrophobicContact CE-CE1 3.49Å; M269-F386 VanDerWaalsContact CE-CE1 3.49Å; M270-F386 HydrophobicContact CE-CE1 3.95Å; M270-F386 HydrophobicContact CE-CZ 3.94Å; I374-F386 HydrophobicContact CG1-CE1 4.01Å; I374-F386 HydrophobicContact CG1-CZ 4.29Å; I374-F386 HydrophobicContact CG2-CE1 4.28Å; I374-F386 HydrophobicContact CG2-CZ 4.25Å; T377-F386 HydrophobicContact CG2-CD2 4.32Å; T377-F386 HydrophobicContact CG2-CE2 3.65Å; T377-F386 HydrophobicContact CG2-CZ 4.39Å; Q378-F386 VanDerWaalsContact O-CE2 3.22Å; Q378-F386 WeakPolarHBondContact O-CE2 3.09Å; L380-F386 HydrophobicContact CB-CB 4.11Å; L380-F386 HydrophobicContact CB-CD2 4.07Å; L380-F386 HydrophobicContact CB-CG 4.46Å; I382-F386 VanDerWaalsContact O-CB 3.23Å; I382-F386 WeakPolarHBondContact O-CB 3.44Å; I382-F386 PolarHBondContact O-N 3.23Å; D383-F386 PolarHBondContact O-N 2.76Å; F386-G388 VanDerWaalsContact C-N 3.33Å; F386-G388 PolarHBondContact O-N 3.23Å; F386-I389 WeakPolarHBondContact O-CB 3.05Å; F386-I389 PolarHBondContact O-N 2.85Å; F386-V390 HydrophobicContact CE1-CG2 4.15Å; F386-V390 HydrophobicContact CE2-CG2 4.32Å; F386-V390 HydrophobicContact CZ-CG2 4.04Å; F386-V390 WeakPolarHBondContact O-CG2 3.41Å; F386-V390 PolarHBondContact O-N 3.23Å
387L94.9Very high88.5Confident3 Ų331.3 Ų31.32%0.01617%0.167CC..Hα-helixtrans-61.9-40.8174.6179.859.9000111.8M269 Y273 Y360 D383 D384 I389 V390 L391M269-L387 HydrophobicContact CE-CB 4.46Å; M269-L387 HydrophobicContact SD-CB 3.93Å; M269-L387 HydrophobicContact SD-CD1 4.3Å; M269-L387 HydrophobicContact SD-CG 4.48Å; Y273-L387 HydrophobicContact CE1-CD1 4.3Å; Y273-L387 VanDerWaalsContact OH-CD1 3.24Å; Y273-L387 WeakPolarHBondContact OH-CD1 3.24Å; Y360-L387 HydrophobicContact CD1-CD2 4.25Å; Y360-L387 HydrophobicContact CD2-CD2 4.11Å; Y360-L387 HydrophobicContact CE1-CD2 3.73Å; Y360-L387 HydrophobicContact CE2-CD2 3.56Å; Y360-L387 HydrophobicContact CG-CD2 4.42Å; D383-L387 WeakPolarHBondContact O-CB 3.46Å; D383-L387 PolarHBondContact O-N 3.05Å; D384-L387 PolarHBondContact O-N 3.5Å; L387-I389 VanDerWaalsContact C-N 3.32Å; L387-I389 PolarHBondContact O-N 3.15Å; L387-V390 WeakPolarHBondContact O-CB 3.42Å; L387-V390 PolarHBondContact O-N 2.89Å; L387-L391 HydrophobicContact CD1-CD1 4.06Å; L387-L391 HydrophobicContact CD1-CG 4Å; L387-L391 HydrophobicContact CD2-CD1 4.44Å; L387-L391 HydrophobicContact CG-CD1 3.88Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.34Å
388G93Very high89.2Confident1 Ų132.3 Ų32.31%0.0117%0.172CC..Hα-helixtrans-57.8-43.1173.600000113.1P353 D384 S385 F386 L391 S392P353-G388 WeakPolarHBondContact O-CA 3.36Å; D384-G388 PolarHBondContact O-N 2.85Å; D384-G388 VanDerWaalsContact O-N 3.07Å; S385-G388 PolarHBondContact O-N 3.17Å; F386-G388 VanDerWaalsContact C-N 3.33Å; F386-G388 PolarHBondContact O-N 3.23Å; G388-L391 PolarHBondContact O-N 3.18Å; G388-S392 WeakPolarHBondContact O-CB 3.36Å; G388-S392 PolarHBondContact O-N 2.98Å
389I89.3Confident89.9Confident8 Ų832.7 Ų32.74%0.04118%0.179CC..Hα-helixtrans-60.4-48.6173.9-66.1161.3000110P114 Y346 Y351 P352 T377 L380 S385 F386 L387 L391 S392 R393P114-I389 HydrophobicContact CG-CG2 4.4Å; Y346-I389 HydrophobicContact CD2-CD1 4.06Å; Y346-I389 HydrophobicContact CE2-CD1 3.52Å; Y346-I389 HydrophobicContact CE2-CG1 4.27Å; Y351-I389 HydrophobicContact CD1-CD1 4.36Å; P352-I389 HydrophobicContact CG-CB 4.45Å; P352-I389 HydrophobicContact CG-CG1 3.89Å; T377-I389 HydrophobicContact CG2-CG2 3.76Å; L380-I389 HydrophobicContact CD2-CD1 4.18Å; S385-I389 WeakPolarHBondContact O-CG1 3.49Å; S385-I389 PolarHBondContact O-N 2.94Å; F386-I389 WeakPolarHBondContact O-CB 3.05Å; F386-I389 PolarHBondContact O-N 2.85Å; L387-I389 VanDerWaalsContact C-N 3.32Å; L387-I389 PolarHBondContact O-N 3.15Å; I389-L391 PolarHBondContact O-N 3.03Å; I389-S392 PolarHBondContact O-N 2.99Å; I389-R393 HydrophobicContact CG2-CG 4.38Å; I389-R393 WeakPolarHBondContact O-CB 3.15Å; I389-R393 WeakPolarHBondContact O-CD 3.48Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.05Å
390V89.6Confident90.3Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-57.6-48.8178.5169.40000111.7A370 A373 I374 T377 F386 L387 R393 L394A370-V390 HydrophobicContact CB-CG1 3.93Å; A373-V390 HydrophobicContact CB-CG1 3.83Å; I374-V390 HydrophobicContact CG1-CG1 4.11Å; I374-V390 HydrophobicContact CG1-CG2 3.78Å; T377-V390 HydrophobicContact CG2-CG2 4.17Å; F386-V390 HydrophobicContact CE1-CG2 4.15Å; F386-V390 HydrophobicContact CE2-CG2 4.32Å; F386-V390 HydrophobicContact CZ-CG2 4.04Å; F386-V390 WeakPolarHBondContact O-CG2 3.41Å; F386-V390 PolarHBondContact O-N 3.23Å; L387-V390 WeakPolarHBondContact O-CB 3.42Å; L387-V390 PolarHBondContact O-N 2.89Å; V390-R393 PolarHBondContact O-N 3.16Å; V390-L394 HydrophobicContact CG1-CD1 4.34Å; V390-L394 WeakPolarHBondContact O-CG 3Å; V390-L394 PolarHBondContact O-N 2.81Å; V390-L394 VanDerWaalsContact O-N 3.12Å
391L91Very high90.6Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-68.3-36.5-179.3-68173.2000112.5V317 F355 L362 I366 L387 G388 I389 L394 N395 R396 L398V317-L391 HydrophobicContact CG1-CD1 3.91Å; V317-L391 HydrophobicContact CG1-CD2 4.28Å; F355-L391 HydrophobicContact CE2-CD1 4.07Å; L362-L391 HydrophobicContact CD2-CD1 4.5Å; I366-L391 HydrophobicContact CG2-CD2 3.74Å; L387-L391 HydrophobicContact CD1-CD1 4.06Å; L387-L391 HydrophobicContact CD1-CG 4Å; L387-L391 HydrophobicContact CD2-CD1 4.44Å; L387-L391 HydrophobicContact CG-CD1 3.88Å; L387-L391 HydrophobicContact CG-CG 4.27Å; L387-L391 WeakPolarHBondContact O-CG 3.36Å; L387-L391 PolarHBondContact O-N 3.34Å; G388-L391 PolarHBondContact O-N 3.18Å; I389-L391 PolarHBondContact O-N 3.03Å; L391-L394 CarbonylContact O-C 3.45Å; L391-L394 PolarHBondContact O-N 2.56Å; L391-N395 PolarHBondContact O-N 2.94Å; L391-R396 HydrophobicContact CB-CB 4.48Å; L391-R396 PolarHBondContact O-N 3.47Å; L391-L398 HydrophobicContact CB-CD2 4.11Å; L391-L398 HydrophobicContact CD1-CD2 3.62Å; L391-L398 HydrophobicContact CG-CD2 4.48Å
392S85.7Confident90.5Very high48 Ų4839 Ų3934%0.33621%0.205SC..Hα-helixtrans-63.8-41.6174.31780000111.6G388 I389 L394 N395G388-S392 WeakPolarHBondContact O-CB 3.36Å; G388-S392 PolarHBondContact O-N 2.98Å; I389-S392 PolarHBondContact O-N 2.99Å; S392-L394 VanDerWaalsContact C-N 3.25Å; S392-L394 PolarHBondContact O-N 2.81Å; S392-N395 WeakPolarHBondContact O-CA 3.12Å; S392-N395 PolarHBondContact O-N 2.69Å
393R79.9Confident90.4Very high17 Ų1741.2 Ų41.26%0.06422%0.215CC..Hα-helixtrans-65.8-29.1175.5-66.9167.265.679.711.2113K115 F117 V119 T377 I389 V390 N395K115-R393 PolarHBondContact O-NH1 2.91Å; K115-R393 PolarHBondContact O-NH2 3.18Å; F117-R393 VanDerWaalsContact CD1-NH2 3.27Å; V119-R393 HydrophobicContact CG2-CB 3.69Å; V119-R393 WeakPolarHBondContact CG2-O 3.44Å; T377-R393 WeakPolarHBondContact OG1-CD 3.48Å; T377-R393 PolarHBondContact OG1-NE 2.86Å; I389-R393 HydrophobicContact CG2-CG 4.38Å; I389-R393 WeakPolarHBondContact O-CB 3.15Å; I389-R393 WeakPolarHBondContact O-CD 3.48Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.05Å; V390-R393 PolarHBondContact O-N 3.16Å; R393-N395 PolarHBondContact O-N 3.41Å
394L82.2Confident90.2Very high11 Ų1140.6 Ų40.66%0.05821%0.212CC..THydrogen-bonded Turntrans-79.54.2170.5-72.9170.7000113.6V119 L123 D369 A370 A373 V390 L391 S392 R396V119-L394 HydrophobicContact CB-CD2 3.93Å; V119-L394 HydrophobicContact CG1-CD2 3.32Å; V119-L394 HydrophobicContact CG1-CG 4.18Å; L123-L394 HydrophobicContact CD1-CD2 4.42Å; D369-L394 HydrophobicContact CB-CD1 3.91Å; D369-L394 HydrophobicContact CB-CD2 3.84Å; A370-L394 HydrophobicContact CB-CD1 4.11Å; A373-L394 HydrophobicContact CB-CD1 4.05Å; A373-L394 HydrophobicContact CB-CD2 4.17Å; A373-L394 HydrophobicContact CB-CG 3.99Å; V390-L394 HydrophobicContact CG1-CD1 4.34Å; V390-L394 WeakPolarHBondContact O-CG 3Å; V390-L394 PolarHBondContact O-N 2.81Å; V390-L394 VanDerWaalsContact O-N 3.12Å; L391-L394 CarbonylContact O-C 3.45Å; L391-L394 PolarHBondContact O-N 2.56Å; S392-L394 VanDerWaalsContact C-N 3.25Å; S392-L394 PolarHBondContact O-N 2.81Å; L394-R396 HydrophobicContact CB-CG 3.77Å; L394-R396 PolarHBondContact O-N 3.05Å
395N83.3Confident89.8Confident146 Ų14640.1 Ų40.178%0.78121%0.211SC*.THydrogen-bonded Turntrans51.937.9-176.3-164.834.7000112.7L391 S392 R393L391-N395 PolarHBondContact O-N 2.94Å; S392-N395 WeakPolarHBondContact O-CA 3.12Å; S392-N395 PolarHBondContact O-N 2.69Å; R393-N395 PolarHBondContact O-N 3.41Å
396R86.7Confident88.8Confident86 Ų8645.2 Ų45.233%0.32524%0.236SC..PPolyproline II helixtrans-92.2126.3178.6-60.6-58-173.9176.30.5110.3V317 I366 D369 L391 L394V317-R396 HydrophobicContact CG2-CB 4.31Å; I366-R396 HydrophobicContact CD1-CG 4.42Å; I366-R396 VanDerWaalsContact CD1-CZ 3.47Å; D369-R396 IonicContact OD2-CZ 3.12Å; D369-R396 IonicContact OD2-NH2 3.85Å; D369-R396 PolarHBondContact OD2-NH2 3.3Å; L391-R396 HydrophobicContact CB-CB 4.48Å; L391-R396 PolarHBondContact O-N 3.47Å; L394-R396 HydrophobicContact CB-CG 3.77Å; L394-R396 PolarHBondContact O-N 3.05Å
397T89.9Confident87.8Confident122 Ų12248.9 Ų48.975%0.74826%0.255SS*.PPolyproline II helixtrans-77.3125.2170.6-55.50000109.9
398L94.1Very high86.5Confident21 Ų2149.9 Ų49.911%0.1126%0.264CS..PPolyproline II helixtrans-76.2131.6175.4-51.4-170.6000110.7V317 V321 P353 F355 L391V317-L398 HydrophobicContact CG1-CD2 3.5Å; V321-L398 HydrophobicContact CG1-CB 4.43Å; V321-L398 HydrophobicContact CG1-CD1 4.28Å; V321-L398 HydrophobicContact CG2-CB 3.75Å; V321-L398 HydrophobicContact CG2-CD1 4.48Å; P353-L398 VanDerWaalsContact C-CD1 3.48Å; P353-L398 HydrophobicContact CB-CD1 3.91Å; P353-L398 WeakPolarHBondContact O-CD1 3.34Å; F355-L398 HydrophobicContact CD1-CD1 4.45Å; F355-L398 HydrophobicContact CE1-CB 3.94Å; F355-L398 HydrophobicContact CE1-CD1 4.22Å; F355-L398 HydrophobicContact CE1-CD2 4.48Å; F355-L398 HydrophobicContact CE1-CG 4.45Å; F355-L398 HydrophobicContact CE2-CD2 4.05Å; F355-L398 HydrophobicContact CZ-CB 3.99Å; F355-L398 HydrophobicContact CZ-CD1 4.33Å; F355-L398 HydrophobicContact CZ-CD2 3.84Å; F355-L398 HydrophobicContact CZ-CG 4.27Å; L391-L398 HydrophobicContact CB-CD2 4.11Å; L391-L398 HydrophobicContact CD1-CD2 3.62Å; L391-L398 HydrophobicContact CG-CD2 4.48Å
399T95.5Very high85.1Confident74 Ų7454.2 Ų54.245%0.45429%0.294SS..EExtended strand (participates in β ladder)trans-95.6118.4174.6-56.80000109.6V317 G318 G319 M401V317-T399 VanDerWaalsContact O-CB 3.3Å; V317-T399 WeakPolarHBondContact O-CB 3.47Å; V317-T399 PolarHBondContact O-N 2.79Å; V317-T399 PolarHBondContact O-OG1 3.42Å; G318-T399 WeakPolarHBondContact CA-O 3.06Å; G319-T399 PolarHBondContact N-O 2.52Å; G319-T399 VanDerWaalsContact N-O 3.11Å; T399-M401 HydrophobicContact CG2-CE 4.43Å; T399-M401 HydrophobicContact CG2-CG 4.44Å; T399-M401 PolarHBondContact O-N 2.71Å
400N94.4Very high83.9Confident59 Ų5956.5 Ų56.532%0.31631%0.309SS..EExtended strand (participates in β ladder)trans-74.4115.9175.3-173.964.3000111.1G319 V321G319-N400 CarbonylContact O-C 3.37Å; G319-N400 WeakPolarHBondContact O-CA 3.05Å; V321-N400 HydrophobicContact CB-CB 4.18Å; V321-N400 HydrophobicContact CG2-CB 3.89Å; V321-N400 PolarHBondContact N-OD1 2.97Å
401M93.2Very high82.7Confident14 Ų1461.8 Ų61.87%0.06934%0.343CS..  trans-109.7110.3179.6-67.4-175.6172.200109.7L308 T316 G319 L361 T399 E403 L404L308-M401 HydrophobicContact CD2-CE 4.03Å; T316-M401 HydrophobicContact CG2-CE 4.03Å; G319-M401 PolarHBondContact O-N 3.2Å; L361-M401 HydrophobicContact CD1-SD 4.04Å; T399-M401 HydrophobicContact CG2-CE 4.43Å; T399-M401 HydrophobicContact CG2-CG 4.44Å; T399-M401 PolarHBondContact O-N 2.71Å; M401-E403 PolarHBondContact O-N 2.95Å; M401-L404 HydrophobicContact CB-CD1 4.16Å; M401-L404 HydrophobicContact CB-CG 4.31Å; M401-L404 PolarHBondContact O-N 2.94Å; M401-L404 HydrophobicContact SD-CD1 4.19Å
402K88.9Confident81.3Confident142 Ų14269.8 Ų69.862%0.61738%0.378SS*.G310 helixtrans-69.5-22.1-178.1-66.7-177.1179.8-179.50112.2L404 S405 F416K402-L404 PolarHBondContact O-N 3.32Å; K402-S405 WeakPolarHBondContact O-CB 3.34Å; K402-S405 PolarHBondContact O-N 2.86Å; K402-S405 VanDerWaalsContact O-N 3.11Å; K402-F416 HydrophobicContact CB-CE2 4.18Å
403E91.2Very high80.5Confident65 Ų6568.6 Ų68.630%0.30437%0.368SS..G310 helixtrans-60.9-24.5173.7-60.284.2171.400112.3L304 M401 F416 L417 V418L304-E403 HydrophobicContact CD1-CG 4.21Å; L304-E403 HydrophobicContact CD2-CB 4.11Å; M401-E403 PolarHBondContact O-N 2.95Å; E403-F416 HydrophobicContact CG-CD2 4.21Å; E403-L417 CarbonylContact O-C 3.53Å; E403-L417 WeakPolarHBondContact O-CA 3.45Å; E403-V418 HydrophobicContact CB-CG2 4.09Å; E403-V418 PolarHBondContact O-N 3.4Å
404L91.4Very high80.1Confident0 Ų070.9 Ų70.90%038%0.379CS..G310 helixtrans-99.817.8177.8-57.6174.8000112.3L288 L361 M401 K402 V418 I419L288-L404 HydrophobicContact CD1-CD2 4.39Å; L361-L404 HydrophobicContact CD1-CD1 4.43Å; L361-L404 HydrophobicContact CG-CD1 4.35Å; M401-L404 HydrophobicContact CB-CD1 4.16Å; M401-L404 HydrophobicContact CB-CG 4.31Å; M401-L404 PolarHBondContact O-N 2.94Å; M401-L404 HydrophobicContact SD-CD1 4.19Å; K402-L404 PolarHBondContact O-N 3.32Å; L404-V418 HydrophobicContact CD2-CB 3.93Å; L404-V418 HydrophobicContact CD2-CG1 3.8Å; L404-I419 HydrophobicContact CD2-CD1 3.62Å; L404-I419 HydrophobicContact CD2-CG1 3.77Å
405S84.5Confident79.9Confident24 Ų2473.3 Ų73.317%0.16840%0.396CS..  trans-79.5155.7178.4-174.70000112.8K402 D407 L417K402-S405 WeakPolarHBondContact O-CB 3.34Å; K402-S405 PolarHBondContact O-N 2.86Å; K402-S405 VanDerWaalsContact O-N 3.11Å; S405-D407 VanDerWaalsContact C-N 3.33Å; S405-D407 PolarHBondContact OG-N 3.48Å; S405-L417 VanDerWaalsContact O-CD2 3.32Å; S405-L417 WeakPolarHBondContact O-CD2 3.39Å
406M72.7Confident79.9Confident108 Ų10869.6 Ų69.653%0.53237%0.373SS..  trans-81.6-11.3169.2-56.2-174.7-6600113.5I358 A408I358-M406 HydrophobicContact CD1-CE 4.21Å; I358-M406 HydrophobicContact CD1-CG 3.24Å; I358-M406 HydrophobicContact CD1-SD 3.64Å; I358-M406 HydrophobicContact CG1-CG 3.72Å; I358-M406 HydrophobicContact CG1-SD 3.79Å; M406-A408 VanDerWaalsContact C-N 3.34Å; M406-A408 PolarHBondContact O-N 2.77Å
407D72.2Confident80.1Confident78 Ų7865.5 Ų65.542%0.41736%0.358SS..  trans-73.285.3-171.5-176.812.3000112.3S405 S409 T413S405-D407 VanDerWaalsContact C-N 3.33Å; S405-D407 PolarHBondContact OG-N 3.48Å; D407-S409 VanDerWaalsContact C-N 3.28Å; D407-S409 WeakPolarHBondContact OD1-CB 3.41Å; D407-S409 PolarHBondContact OD1-N 2.83Å; D407-S409 PolarHBondContact OD1-OG 2.82Å; D407-T413 WeakPolarHBondContact O-CB 3.42Å; D407-T413 PolarHBondContact O-OG1 2.98Å
408A67Low80.3Confident24 Ų2459.8 Ų59.820%0.19832%0.323CS..  trans-88.615.917200000113M406 T410 K414 L417M406-A408 VanDerWaalsContact C-N 3.34Å; M406-A408 PolarHBondContact O-N 2.77Å; A408-T410 VanDerWaalsContact C-N 3.27Å; A408-T410 PolarHBondContact O-N 3.48Å; A408-K414 HydrophobicContact CB-CG 4.15Å; A408-K414 WeakPolarHBondContact O-CE 3.22Å; A408-L417 HydrophobicContact CB-CD1 3.9Å
409S65.3Low80.2Confident91 Ų9158.9 Ų58.964%0.63632%0.318SS*.SBendtrans-66.2-23.7-170.964.90000114.5D407D407-S409 VanDerWaalsContact C-N 3.28Å; D407-S409 WeakPolarHBondContact OD1-CB 3.41Å; D407-S409 PolarHBondContact OD1-N 2.83Å; D407-S409 PolarHBondContact OD1-OG 2.82Å
410T62.4Low80Confident57 Ų5755.7 Ų55.735%0.3530%0.298SS..SBendtrans-121.5149-17871.90000112.1A408 K412 T413 K414A408-T410 VanDerWaalsContact C-N 3.27Å; A408-T410 PolarHBondContact O-N 3.48Å; T410-K412 PolarHBondContact O-N 3.23Å; T410-T413 PolarHBondContact N-OG1 3.5Å; T410-T413 VanDerWaalsContact N-OG1 3.16Å; T410-T413 PolarHBondContact O-N 2.76Å; T410-T413 PolarHBondContact O-OG1 3.34Å; T410-T413 WeakPolarHBondContact OG1-CG2 3.31Å; T410-T413 PolarHBondContact OG1-N 2.9Å; T410-T413 PolarHBondContact OG1-OG1 3.15Å; T410-T413 VanDerWaalsContact OG1-OG1 3.05Å; T410-K414 WeakPolarHBondContact O-CG 2.9Å; T410-K414 PolarHBondContact O-N 2.83Å
411P64.4Low79.8Confident110 Ų11055.3 Ų55.371%0.71430%0.296SS*.Hα-helixtrans-55.1-34.8172.4-26.434.5000112.8S415P411-S415 PolarHBondContact O-N 2.63Å
412K63Low79.7Confident169 Ų16955.8 Ų55.874%0.73530%0.299SS*.Hα-helixtrans-63.6-44.6175.7-74.2-173.5179.5-1800111.7T410 S415 F416T410-K412 PolarHBondContact O-N 3.23Å; K412-S415 PolarHBondContact O-N 2.84Å; K412-S415 PolarHBondContact O-OG 3.34Å; K412-F416 WeakPolarHBondContact O-CD1 3.19Å; K412-F416 VanDerWaalsContact O-CE1 3.28Å; K412-F416 WeakPolarHBondContact O-CE1 3.37Å
413T67.4Low79.6Confident22 Ų2255.5 Ų55.514%0.13530%0.304CS..Hα-helixtrans-64.7-48.7177.154.10000111.3D407 T410 S415 F416 L417D407-T413 WeakPolarHBondContact O-CB 3.42Å; D407-T413 PolarHBondContact O-OG1 2.98Å; T410-T413 PolarHBondContact N-OG1 3.5Å; T410-T413 VanDerWaalsContact N-OG1 3.16Å; T410-T413 PolarHBondContact O-N 2.76Å; T410-T413 PolarHBondContact O-OG1 3.34Å; T410-T413 WeakPolarHBondContact OG1-CG2 3.31Å; T410-T413 PolarHBondContact OG1-N 2.9Å; T410-T413 PolarHBondContact OG1-OG1 3.15Å; T410-T413 VanDerWaalsContact OG1-OG1 3.05Å; T413-S415 PolarHBondContact O-N 2.83Å; T413-F416 VanDerWaalsContact CA-CE1 3.45Å; T413-F416 HydrophobicContact CG2-CE1 4.28Å; T413-F416 HydrophobicContact CG2-CZ 3.98Å; T413-F416 PolarHBondContact O-N 3.14Å; T413-F416 VanDerWaalsContact O-N 3.15Å; T413-L417 WeakPolarHBondContact O-CG 3.16Å; T413-L417 PolarHBondContact O-N 3.27Å
414K71.6Confident79.4Confident65 Ų6554.8 Ų54.828%0.28330%0.304SS..Hα-helixtrans-50.1-38.1177.6-68.3-176-179-171.50113.7A408 T410 F416 I436A408-K414 HydrophobicContact CB-CG 4.15Å; A408-K414 WeakPolarHBondContact O-CE 3.22Å; T410-K414 WeakPolarHBondContact O-CG 2.9Å; T410-K414 PolarHBondContact O-N 2.83Å; K414-F416 PolarHBondContact O-N 3.14Å; K414-I436 WeakPolarHBondContact O-CD1 3.42Å
415S78.6Confident79.3Confident62 Ų6254.8 Ų54.843%0.43430%0.304SS..THydrogen-bonded Turntrans-64.4-20.2-175.473.90000115.8N300 R303 P411 K412 T413N300-S415 PolarHBondContact ND2-O 2.87Å; R303-S415 PolarHBondContact NH2-O 3.16Å; P411-S415 PolarHBondContact O-N 2.63Å; K412-S415 PolarHBondContact O-N 2.84Å; K412-S415 PolarHBondContact O-OG 3.34Å; T413-S415 PolarHBondContact O-N 2.83Å
416F84Confident79.4Confident68 Ų6857.8 Ų57.830%0.29832%0.319SS..THydrogen-bonded Turntrans-119.7-7-178.965.6-104.9000114.5K402 E403 K412 T413 K414 V418K402-F416 HydrophobicContact CB-CE2 4.18Å; E403-F416 HydrophobicContact CG-CD2 4.21Å; K412-F416 WeakPolarHBondContact O-CD1 3.19Å; K412-F416 VanDerWaalsContact O-CE1 3.28Å; K412-F416 WeakPolarHBondContact O-CE1 3.37Å; T413-F416 VanDerWaalsContact CA-CE1 3.45Å; T413-F416 HydrophobicContact CG2-CE1 4.28Å; T413-F416 HydrophobicContact CG2-CZ 3.98Å; T413-F416 PolarHBondContact O-N 3.14Å; T413-F416 VanDerWaalsContact O-N 3.15Å; K414-F416 PolarHBondContact O-N 3.14Å; F416-V418 PolarHBondContact O-N 3.28Å
417L90.5Very high80Confident1 Ų158 Ų581%0.00532%0.322CS..  trans-59.6137.5178.1-68.6-177.5000110.9L297 N300 E403 S405 A408 T413 I420L297-L417 WeakPolarHBondContact CD1-O 3.11Å; N300-L417 WeakPolarHBondContact CB-O 3.13Å; N300-L417 PolarHBondContact ND2-O 3.16Å; E403-L417 CarbonylContact O-C 3.53Å; E403-L417 WeakPolarHBondContact O-CA 3.45Å; S405-L417 VanDerWaalsContact O-CD2 3.32Å; S405-L417 WeakPolarHBondContact O-CD2 3.39Å; A408-L417 HydrophobicContact CB-CD1 3.9Å; T413-L417 WeakPolarHBondContact O-CG 3.16Å; T413-L417 PolarHBondContact O-N 3.27Å; L417-I420 HydrophobicContact CB-CG2 4.09Å; L417-I420 HydrophobicContact CD1-CG2 3.9Å
418V93.4Very high80.5Confident2 Ų254.7 Ų54.71%0.01230%0.304CS..SBendtrans-98.7-30.4175.4164.80000110.4L296 L297 N300 T301 L304 E403 L404 F416L296-V418 CarbonylContact C-O 3.18Å; L296-V418 WeakPolarHBondContact CA-O 3.37Å; L297-V418 PolarHBondContact N-O 3.27Å; N300-V418 HydrophobicContact CB-CG2 4.09Å; T301-V418 HydrophobicContact CG2-CG1 4.26Å; T301-V418 WeakPolarHBondContact OG1-CG1 3.07Å; L304-V418 HydrophobicContact CB-CG2 4.05Å; L304-V418 HydrophobicContact CD2-CB 4.48Å; L304-V418 HydrophobicContact CD2-CG2 3.79Å; E403-V418 HydrophobicContact CB-CG2 4.09Å; E403-V418 PolarHBondContact O-N 3.4Å; L404-V418 HydrophobicContact CD2-CB 3.93Å; L404-V418 HydrophobicContact CD2-CG1 3.8Å; F416-V418 PolarHBondContact O-N 3.28Å
419I92.8Very high81.5Confident1 Ų153.9 Ų53.91%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-122.4135.4179.9-54.5-177.1000108.9V290 Y294 V295 L296 I358 L404V290-I419 HydrophobicContact CG2-CD1 4.11Å; V290-I419 HydrophobicContact CG2-CG2 4.26Å; Y294-I419 VanDerWaalsContact CB-CG2 3.45Å; Y294-I419 HydrophobicContact CD1-CG2 3.75Å; Y294-I419 HydrophobicContact CG-CG2 3.79Å; V295-I419 WeakPolarHBondContact O-CA 3.39Å; L296-I419 HydrophobicContact CD2-CD1 4.41Å; L296-I419 HydrophobicContact CD2-CG1 3.81Å; I358-I419 HydrophobicContact CG2-CB 4.28Å; I358-I419 HydrophobicContact CG2-CD1 4.4Å; I358-I419 HydrophobicContact CG2-CG2 3.68Å; L404-I419 HydrophobicContact CD2-CD1 3.62Å; L404-I419 HydrophobicContact CD2-CG1 3.77Å
420I91.1Very high82.8Confident7 Ų752.5 Ų52.54%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-138.4155.9170.862.4175.7000109.4Y294 V295 L297 L417 A425 I428 I429Y294-I420 WeakPolarHBondContact CA-O 3.35Å; V295-I420 HydrophobicContact CG2-CD1 3.85Å; V295-I420 HydrophobicContact CG2-CG1 3.29Å; V295-I420 PolarHBondContact N-O 3.42Å; V295-I420 PolarHBondContact O-N 3.15Å; V295-I420 VanDerWaalsContact O-N 3.16Å; L297-I420 HydrophobicContact CD1-CG2 4.36Å; L297-I420 HydrophobicContact CD2-CD1 3.78Å; L297-I420 HydrophobicContact CD2-CG1 4.24Å; L297-I420 HydrophobicContact CG-CD1 4.42Å; L417-I420 HydrophobicContact CB-CG2 4.09Å; L417-I420 HydrophobicContact CD1-CG2 3.9Å; I420-A425 HydrophobicContact CD1-CB 3.75Å; I420-A425 HydrophobicContact CG1-CB 4.23Å; I420-I428 HydrophobicContact CD1-CD1 3.4Å; I420-I428 HydrophobicContact CD1-CG1 3.77Å; I420-I428 HydrophobicContact CG2-CD1 4.38Å; I420-I429 HydrophobicContact CD1-CG1 4.17Å
421D90.2Very high84.3Confident51 Ų5151.4 Ų51.427%0.27327%0.271SS..EExtended strand (participates in β ladder)trans-64142.6174.3-177.7-83.9000111.1Y294 D423 T424 A425Y294-D421 HydrophobicContact CD1-CB 4.4Å; Y294-D421 HydrophobicContact CE1-CB 4.32Å; D421-D423 VanDerWaalsContact C-N 3.29Å; D421-D423 PolarHBondContact O-N 3.19Å; D421-D423 WeakPolarHBondContact OD1-CA 3.19Å; D421-D423 VanDerWaalsContact OD1-CB 3.26Å; D421-D423 WeakPolarHBondContact OD1-CB 3.4Å; D421-D423 PolarHBondContact OD1-N 3.21Å; D421-T424 PolarHBondContact O-N 3.05Å; D421-T424 VanDerWaalsContact O-N 3.14Å; D421-A425 PolarHBondContact O-N 3.1Å
422I90.5Very high85.6Confident25 Ų2554.5 Ų54.513%0.12827%0.273CS..Hα-helixtrans-58.8-37.2-177.8-165.9169.9000112.8K176 Y179 D293 V295 T424 A425K176-I422 HydrophobicContact CG-CD1 4.44Å; Y179-I422 HydrophobicContact CD1-CD1 3.48Å; Y179-I422 VanDerWaalsContact CD1-CD1 3.48Å; Y179-I422 HydrophobicContact CD1-CG1 3.84Å; Y179-I422 HydrophobicContact CE1-CD1 3.81Å; Y179-I422 HydrophobicContact CE1-CG1 3.6Å; Y179-I422 HydrophobicContact CG-CD1 3.97Å; Y179-I422 HydrophobicContact CG-CG1 4.5Å; D293-I422 WeakPolarHBondContact O-CB 3.36Å; D293-I422 WeakPolarHBondContact O-CG2 3.45Å; D293-I422 PolarHBondContact O-N 3.28Å; V295-I422 HydrophobicContact CG1-CB 4.18Å; V295-I422 HydrophobicContact CG1-CG1 4.04Å; I422-T424 PolarHBondContact O-N 2.89Å; I422-A425 WeakPolarHBondContact O-CB 3.48Å; I422-A425 PolarHBondContact O-N 2.87Å; I422-A425 VanDerWaalsContact O-N 3.17Å
423D87.1Confident87Confident136 Ų13649.8 Ų49.873%0.72726%0.259SS*.Hα-helixtrans-70.4-25.5-178.7-65.6-25.2000111.2D421D421-D423 VanDerWaalsContact C-N 3.29Å; D421-D423 PolarHBondContact O-N 3.19Å; D421-D423 WeakPolarHBondContact OD1-CA 3.19Å; D421-D423 VanDerWaalsContact OD1-CB 3.26Å; D421-D423 WeakPolarHBondContact OD1-CB 3.4Å; D421-D423 PolarHBondContact OD1-N 3.21Å
424T86.9Confident87.9Confident49 Ų4949.7 Ų49.730%0.30126%0.262SS..Hα-helixtrans-84.3-23.6175.4-54.60000112D421 I422 D426 D427 I428D421-T424 PolarHBondContact O-N 3.05Å; D421-T424 VanDerWaalsContact O-N 3.14Å; I422-T424 PolarHBondContact O-N 2.89Å; T424-D426 PolarHBondContact O-N 3.41Å; T424-D427 PolarHBondContact O-N 2.85Å; T424-I428 HydrophobicContact CG2-CD1 4.37Å; T424-I428 HydrophobicContact CG2-CG2 4.46Å; T424-I428 WeakPolarHBondContact O-CG1 3.27Å
425A88.9Confident88.6Confident0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-66.2-41.9-165.100000114.2V295 I420 D421 I422 D427 I428 I429 W431V295-A425 HydrophobicContact CG1-CB 4.22Å; V295-A425 HydrophobicContact CG2-CB 3.54Å; I420-A425 HydrophobicContact CD1-CB 3.75Å; I420-A425 HydrophobicContact CG1-CB 4.23Å; D421-A425 PolarHBondContact O-N 3.1Å; I422-A425 WeakPolarHBondContact O-CB 3.48Å; I422-A425 PolarHBondContact O-N 2.87Å; I422-A425 VanDerWaalsContact O-N 3.17Å; A425-D427 VanDerWaalsContact C-N 3.25Å; A425-D427 PolarHBondContact O-N 3.22Å; A425-I428 PolarHBondContact O-N 2.83Å; A425-I428 VanDerWaalsContact O-N 3.14Å; A425-I429 PolarHBondContact O-N 3.03Å; A425-W431 HydrophobicContact CB-CZ2 4.01Å
426D86.9Confident88.9Confident88 Ų8850.7 Ų50.747%0.47127%0.265SS..Hα-helixtrans-69.1-25.1-179.3-75-14000112.8Y179 T424 I428 W431 M437Y179-D426 WeakPolarHBondContact CE2-OD1 3.36Å; Y179-D426 PolarHBondContact OH-OD1 2.92Å; T424-D426 PolarHBondContact O-N 3.41Å; D426-I428 VanDerWaalsContact C-N 3.27Å; D426-I428 PolarHBondContact O-N 3.28Å; D426-W431 PolarHBondContact OD1-NE1 2.83Å; D426-W431 VanDerWaalsContact OD1-NE1 3.1Å; D426-M437 VanDerWaalsContact O-CE 3.29Å; D426-M437 WeakPolarHBondContact O-CE 3.43Å
427D85.1Confident88.9Confident112 Ų11250.7 Ų50.760%0.59927%0.267SS*.Hα-helixtrans-75.4-17.4174.9-72.6-19000112.7T424 A425T424-D427 PolarHBondContact O-N 2.85Å; A425-D427 VanDerWaalsContact C-N 3.25Å; A425-D427 PolarHBondContact O-N 3.22Å
428I84Confident87.9Confident9 Ų958.2 Ų58.25%0.04631%0.307CS..Hα-helixtrans-126.1-15.5-172.367.7161.3000114.9I420 T424 A425 D426 I436 M437I420-I428 HydrophobicContact CD1-CD1 3.4Å; I420-I428 HydrophobicContact CD1-CG1 3.77Å; I420-I428 HydrophobicContact CG2-CD1 4.38Å; T424-I428 HydrophobicContact CG2-CD1 4.37Å; T424-I428 HydrophobicContact CG2-CG2 4.46Å; T424-I428 WeakPolarHBondContact O-CG1 3.27Å; A425-I428 PolarHBondContact O-N 2.83Å; A425-I428 VanDerWaalsContact O-N 3.14Å; D426-I428 VanDerWaalsContact C-N 3.27Å; D426-I428 PolarHBondContact O-N 3.28Å; I428-I436 VanDerWaalsContact O-CA 3.27Å; I428-I436 WeakPolarHBondContact O-CA 3.32Å; I428-I436 CarbonylContact O-C 3.51Å; I428-M437 PolarHBondContact O-N 3.44Å
429I88.3Confident86.1Confident6 Ų668.6 Ų68.63%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-117130.2-177.8-53.8-55.9000112L297 I420 A425 W431 I436L297-I429 HydrophobicContact CD1-CD1 4.12Å; L297-I429 HydrophobicContact CD2-CD1 3.3Å; L297-I429 HydrophobicContact CD2-CG1 3.52Å; L297-I429 HydrophobicContact CG-CD1 4.36Å; I420-I429 HydrophobicContact CD1-CG1 4.17Å; A425-I429 PolarHBondContact O-N 3.03Å; I429-W431 HydrophobicContact CG2-CZ3 3.74Å; I429-W431 PolarHBondContact O-N 3.35Å; I429-W431 HydrophobicContact CG2-CZ2 4.1Å; I429-W431 HydrophobicContact CG2-CH2 4Å; I429-W431 HydrophobicContact CG2-CG 4.33Å; I429-W431 HydrophobicContact CG2-CE3 3.57Å; I429-W431 HydrophobicContact CG1-CZ2 4.24Å; I429-W431 HydrophobicContact CG1-CH2 4.28Å; I429-W431 HydrophobicContact CB-CZ2 4.03Å; I429-W431 HydrophobicContact CB-CH2 4.3Å; I429-W431 HydrophobicContact CB-CE3 4.49Å; I429-W431 HydrophobicContact CB-CD2 4.2Å; I429-W431 HydrophobicContact CG2-CD2 3.64Å; I429-I436 HydrophobicContact CD1-CB 4.36Å; I429-I436 HydrophobicContact CD1-CG1 3.74Å
430N91.7Very high85.7Confident62 Ų6272 Ų7233%0.33237%0.372SS..EExtended strand (participates in β ladder)trans-86.197.2163.3-178.5-15.2000109.8K432 T433 G434 D435 M437N430-K432 PolarHBondContact O-N 2.73Å; N430-K432 WeakPolarHBondContact OD1-CB 3.27Å; N430-K432 PolarHBondContact OD1-N 3Å; N430-T433 PolarHBondContact O-N 3.16Å; N430-G434 PolarHBondContact O-N 3.38Å; N430-G434 WeakPolarHBondContact O-CA 3.24Å; N430-D435 PolarHBondContact N-O 3.23Å; N430-M437 HydrophobicContact CB-CG 4.1Å; N430-M437 HydrophobicContact CB-SD 4.32Å
431W93.6Very high85.5Confident34 Ų3475.4 Ų75.413%0.12939%0.39CS..THydrogen-bonded Turntrans-63.6-11.4-178-64.1118.7000115.8Y179 T183 L189 V295 A425 D426 I429Y179-W431 PolarHBondContact OH-NE1 3.25Å; T183-W431 VanDerWaalsContact CB-CD2 3.44Å; T183-W431 HydrophobicContact CG2-CB 4.37Å; T183-W431 VanDerWaalsContact CG2-CD1 3.46Å; T183-W431 HydrophobicContact CG2-CD2 3.79Å; T183-W431 HydrophobicContact CG2-CG 3.63Å; T183-W431 HydrophobicContact CG2-CZ2 4.41Å; L189-W431 HydrophobicContact CD1-CE3 4.07Å; V295-W431 HydrophobicContact CB-CH2 4.29Å; V295-W431 HydrophobicContact CB-CZ2 4.48Å; V295-W431 HydrophobicContact CG2-CH2 4.09Å; V295-W431 HydrophobicContact CG2-CZ2 4.19Å; A425-W431 HydrophobicContact CB-CZ2 4.01Å; D426-W431 PolarHBondContact OD1-NE1 2.83Å; D426-W431 VanDerWaalsContact OD1-NE1 3.1Å; I429-W431 HydrophobicContact CG2-CZ3 3.74Å; I429-W431 PolarHBondContact O-N 3.35Å; I429-W431 HydrophobicContact CG2-CZ2 4.1Å; I429-W431 HydrophobicContact CG2-CH2 4Å; I429-W431 HydrophobicContact CG2-CG 4.33Å; I429-W431 HydrophobicContact CG2-CE3 3.57Å; I429-W431 HydrophobicContact CG1-CZ2 4.24Å; I429-W431 HydrophobicContact CG1-CH2 4.28Å; I429-W431 HydrophobicContact CB-CZ2 4.03Å; I429-W431 HydrophobicContact CB-CH2 4.3Å; I429-W431 HydrophobicContact CB-CE3 4.49Å; I429-W431 HydrophobicContact CB-CD2 4.2Å; I429-W431 HydrophobicContact CG2-CD2 3.64Å
432K92.8Very high85.2Confident175 Ų17576.7 Ų76.776%0.76140%0.397SS*.THydrogen-bonded Turntrans-72.4-38.9171-63-178.7179.3175.40111.2H188 N430H188-K432 PolarHBondContact NE2-O 3.34Å; H188-K432 VanDerWaalsContact NE2-O 3.08Å; N430-K432 PolarHBondContact O-N 2.73Å; N430-K432 WeakPolarHBondContact OD1-CB 3.27Å; N430-K432 PolarHBondContact OD1-N 3Å
433T90.7Very high84.9Confident71 Ų7179.8 Ų79.844%0.43641%0.412SS..THydrogen-bonded Turntrans-105.7-23.1-177.367.70000113.4N430 D435N430-T433 PolarHBondContact O-N 3.16Å; T433-D435 VanDerWaalsContact C-N 3.27Å; T433-D435 WeakPolarHBondContact CB-OD2 3.48Å; T433-D435 WeakPolarHBondContact OG1-CB 3.39Å; T433-D435 VanDerWaalsContact OG1-CG 3.28Å; T433-D435 PolarHBondContact OG1-N 3.39Å; T433-D435 PolarHBondContact OG1-OD2 2.92Å
434G87.9Confident84.7Confident19 Ų1976.3 Ų76.320%0.19639%0.393CS..THydrogen-bonded Turntrans79.26.4-17100000113.9N430N430-G434 PolarHBondContact O-N 3.38Å; N430-G434 WeakPolarHBondContact O-CA 3.24Å
435D86.6Confident84.6Confident101 Ų10178.1 Ų78.154%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-81.5146.7-177.8-60.1-46.9000111.5N430 T433 M437N430-D435 PolarHBondContact N-O 3.23Å; T433-D435 VanDerWaalsContact C-N 3.27Å; T433-D435 WeakPolarHBondContact CB-OD2 3.48Å; T433-D435 WeakPolarHBondContact OG1-CB 3.39Å; T433-D435 VanDerWaalsContact OG1-CG 3.28Å; T433-D435 PolarHBondContact OG1-N 3.39Å; T433-D435 PolarHBondContact OG1-OD2 2.92Å; D435-M437 PolarHBondContact O-N 2.61Å
436I84Confident84.3Confident48 Ų4883.6 Ų83.625%0.24643%0.427CS..EExtended strand (participates in β ladder)trans-72.2122167.6-55.7174.3000107.9L297 K414 I428 I429 N438L297-I436 HydrophobicContact CD1-CD1 4.13Å; L297-I436 HydrophobicContact CD1-CG1 4.39Å; K414-I436 WeakPolarHBondContact O-CD1 3.42Å; I428-I436 VanDerWaalsContact O-CA 3.27Å; I428-I436 WeakPolarHBondContact O-CA 3.32Å; I428-I436 CarbonylContact O-C 3.51Å; I429-I436 HydrophobicContact CD1-CB 4.36Å; I429-I436 HydrophobicContact CD1-CG1 3.74Å; I436-N438 PolarHBondContact O-N 3.21Å
437M83.2Confident84.1Confident68 Ų6883.3 Ų83.334%0.33542%0.424SS..  trans-67115.7173.4-60.1-169.8-71.200108.5D426 I428 N430 D435 H439D426-M437 VanDerWaalsContact O-CE 3.29Å; D426-M437 WeakPolarHBondContact O-CE 3.43Å; I428-M437 PolarHBondContact O-N 3.44Å; N430-M437 HydrophobicContact CB-CG 4.1Å; N430-M437 HydrophobicContact CB-SD 4.32Å; D435-M437 PolarHBondContact O-N 2.61Å; M437-H439 PolarHBondContact O-N 2.8Å; M437-H439 VanDerWaalsContact O-N 3.15Å
438N70.5Confident84Confident159 Ų15980.9 Ų80.985%0.8541%0.41SS*.  trans-70.2107.9169.8-75.6-24.4000107.8I436I436-N438 PolarHBondContact O-N 3.21Å
439H54.9Low84Confident219 Ų21987.5 Ų87.5100%1.01444%0.443SS*.  trans-97.90160.9-73.3-46.9000109.8M437M437-H439 PolarHBondContact O-N 2.8Å; M437-H439 VanDerWaalsContact O-N 3.15Å

Retrieved 439 of 439 residues in 436.8 ms (Link to these results)

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