A0A077ZF75_TRITR Loading...

Aerobic respiration control sensor protein ArcB

Member of the two-component regulatory system ArcB/ArcA. Sensor-regulator protein for anaerobic repression of the arc modulon. Activates ArcA via a four-step phosphorelay. ArcB can also dephosphorylate ArcA by a reverse phosphorelay involving His-717 and Asp-576.

AlphaFold DB (P0AEC3), UniProt , Accession A0A077ZF75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 778 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
1M53.5Low66.3Low189 Ų189137.4 Ų137.493%0.93164%0.644SS**  0-46.50-80-158.1-90.200114.8Q3 I4 R5M1-Q3 PolarHBondContact O-N 2.83Å; M1-I4 PolarHBondContact O-N 3.19Å; M1-R5 PolarHBondContact O-N 3.09Å
2K66.6Low66.4Low192 Ų192129.5 Ų129.584%0.83561%0.612SS**Hα-helixtrans-54.9-46.5-179.5-92-175.8176.1-1800114.2R5 L6K2-R5 PolarHBondContact O-N 3.19Å; K2-L6 PolarHBondContact O-N 2.62Å
3Q70.2Confident66.9Low166 Ų166126.8 Ų126.878%0.77660%0.604SS**Hα-helixtrans-63.3-42.4178.4-77.8179.9-20.700113M1 R5 L6 L7M1-Q3 PolarHBondContact O-N 2.83Å; Q3-R5 VanDerWaalsContact C-N 3.35Å; Q3-R5 PolarHBondContact O-N 2.94Å; Q3-L6 PolarHBondContact O-N 3.36Å; Q3-L7 PolarHBondContact O-N 3.02Å
4I61Low67.2Low126 Ų126122.7 Ų122.765%0.64659%0.587SS**Hα-helixtrans-63.5-40.9176.1-59.3169.1000110.7M1 L7 A8M1-I4 PolarHBondContact O-N 3.19Å; I4-L7 PolarHBondContact O-N 3Å; I4-A8 VanDerWaalsContact O-CB 3.28Å; I4-A8 WeakPolarHBondContact O-CB 3.24Å; I4-A8 PolarHBondContact O-N 3.33Å
5R62.2Low67.4Low184 Ų184115.9 Ų115.969%0.69456%0.555SS**Hα-helixtrans-62.5-40.9173.5-89.2-173.1-179174.21112.4M1 K2 Q3 A8 Q9M1-R5 PolarHBondContact O-N 3.09Å; K2-R5 PolarHBondContact O-N 3.19Å; Q3-R5 VanDerWaalsContact C-N 3.35Å; Q3-R5 PolarHBondContact O-N 2.94Å; R5-A8 PolarHBondContact O-N 3.26Å; R5-Q9 WeakPolarHBondContact O-CB 3.16Å; R5-Q9 PolarHBondContact O-N 2.79Å
6L72.9Confident67.4Low118 Ų118116.7 Ų116.762%0.61856%0.56SS**Hα-helixtrans-68.3-42.3179.9-151.5115.2000111K2 Q3 Q9 Y10K2-L6 PolarHBondContact O-N 2.62Å; Q3-L6 PolarHBondContact O-N 3.36Å; L6-Q9 PolarHBondContact O-N 3.08Å; L6-Y10 WeakPolarHBondContact O-CB 3.4Å; L6-Y10 PolarHBondContact O-N 2.86Å
7L65Low67.9Low124 Ų124120.3 Ų120.365%0.64957%0.572SS**Hα-helixtrans-62-43.3172.3-84.5160.8000111.8Q3 I4 Y10 Y11Q3-L7 PolarHBondContact O-N 3.02Å; I4-L7 PolarHBondContact O-N 3Å; L7-Y10 PolarHBondContact O-N 2.68Å; L7-Y11 WeakPolarHBondContact O-CB 3.49Å; L7-Y11 PolarHBondContact O-N 3.08Å
8A65.6Low68.1Low52 Ų52116.8 Ų116.843%0.4356%0.557SS.*Hα-helixtrans-66.3-39.6176.400000112.2I4 R5 Y11 V12I4-A8 VanDerWaalsContact O-CB 3.28Å; I4-A8 WeakPolarHBondContact O-CB 3.24Å; I4-A8 PolarHBondContact O-N 3.33Å; R5-A8 PolarHBondContact O-N 3.26Å; A8-Y11 VanDerWaalsContact O-CB 3.31Å; A8-Y11 WeakPolarHBondContact O-CB 3.4Å; A8-Y11 PolarHBondContact O-N 3.21Å; A8-V12 WeakPolarHBondContact O-CG2 3.19Å; A8-V12 PolarHBondContact O-N 3.49Å
9Q67.6Low68.2Low131 Ų131112.3 Ų112.361%0.61254%0.544SS*.Hα-helixtrans-62.2-45.6171.2-96.6178.9-4400111.2R5 L6 Y11 V12 D13R5-Q9 WeakPolarHBondContact O-CB 3.16Å; R5-Q9 PolarHBondContact O-N 2.79Å; L6-Q9 PolarHBondContact O-N 3.08Å; Q9-Y11 PolarHBondContact O-N 3.42Å; Q9-V12 PolarHBondContact O-N 3.36Å; Q9-D13 WeakPolarHBondContact O-CB 3.35Å; Q9-D13 PolarHBondContact O-N 2.76Å
10Y73.6Confident68.2Low164 Ų164111.6 Ų111.664%0.64354%0.543SS*.Hα-helixtrans-61.2-36.7176.3-150.3-90.9000111.3L6 L7 L14L6-Y10 WeakPolarHBondContact O-CB 3.4Å; L6-Y10 PolarHBondContact O-N 2.86Å; L7-Y10 PolarHBondContact O-N 2.68Å; Y10-L14 HydrophobicContact CE1-CD1 4.33Å; Y10-L14 VanDerWaalsContact O-CB 3.28Å; Y10-L14 WeakPolarHBondContact O-CB 3.36Å; Y10-L14 PolarHBondContact O-N 2.9Å
11Y70.5Confident68.4Low65 Ų65111.5 Ų111.526%0.25555%0.549SS..Hα-helixtrans-62.6-50.3175.2-163.6-90.9000111.9L7 A8 Q9 L14 M15 F23 L73 V77L7-Y11 WeakPolarHBondContact O-CB 3.49Å; L7-Y11 PolarHBondContact O-N 3.08Å; A8-Y11 VanDerWaalsContact O-CB 3.31Å; A8-Y11 WeakPolarHBondContact O-CB 3.4Å; A8-Y11 PolarHBondContact O-N 3.21Å; Q9-Y11 PolarHBondContact O-N 3.42Å; Y11-L14 PolarHBondContact O-N 2.86Å; Y11-M15 WeakPolarHBondContact O-CB 3.28Å; Y11-M15 PolarHBondContact O-N 2.68Å; Y11-F23 HydrophobicContact CD1-CE1 4.31Å; Y11-F23 HydrophobicContact CD1-CZ 4.01Å; Y11-F23 AromaticContact CD2-CZ 3.98Å; Y11-F23 HydrophobicContact CD2-CZ 3.98Å; Y11-F23 AromaticContact CE1-CE1 3.48Å; Y11-F23 HydrophobicContact CE1-CE1 3.48Å; Y11-F23 VanDerWaalsContact CE1-CE1 3.48Å; Y11-F23 AromaticContact CE1-CZ 3.49Å; Y11-F23 HydrophobicContact CE1-CZ 3.49Å; Y11-F23 VanDerWaalsContact CE1-CZ 3.49Å; Y11-F23 HydrophobicContact CE2-CE1 4.15Å; Y11-F23 HydrophobicContact CE2-CE2 4.45Å; Y11-F23 AromaticContact CE2-CZ 3.47Å; Y11-F23 HydrophobicContact CE2-CZ 3.47Å; Y11-F23 VanDerWaalsContact CE2-CZ 3.47Å; Y11-F23 HydrophobicContact CG-CZ 4.21Å; Y11-F23 AromaticContact CZ-CE1 3.35Å; Y11-F23 AromaticContact CZ-CZ 3.15Å; Y11-F23 WeakPolarHBondContact OH-CE1 3.44Å; Y11-F23 WeakPolarHBondContact OH-CZ 3.31Å; Y11-L73 HydrophobicContact CE1-CD2 3.47Å; Y11-L73 VanDerWaalsContact CE1-CD2 3.47Å; Y11-L73 HydrophobicContact CE2-CD2 4.27Å; Y11-L73 WeakPolarHBondContact OH-CD2 3.45Å; Y11-V77 HydrophobicContact CD1-CG2 4.3Å; Y11-V77 HydrophobicContact CE1-CG2 4.17Å
12V67.9Low69.4Low43 Ų43111 Ų11126%0.26154%0.537SS..Hα-helixtrans-65.3-42177.9175.10000110.9A8 Q9 L14 M15 M16 V77A8-V12 WeakPolarHBondContact O-CG2 3.19Å; A8-V12 PolarHBondContact O-N 3.49Å; Q9-V12 PolarHBondContact O-N 3.36Å; V12-L14 PolarHBondContact O-N 2.61Å; V12-M15 WeakPolarHBondContact O-CB 3.48Å; V12-M15 PolarHBondContact O-N 2.92Å; V12-M16 WeakPolarHBondContact O-CB 3.39Å; V12-M16 WeakPolarHBondContact O-CG 3.5Å; V12-M16 PolarHBondContact O-N 2.84Å; V12-V77 HydrophobicContact CG2-CG1 3.98Å
13D72.8Confident69.8Low95 Ų95102.6 Ų102.651%0.50850%0.5SS..Hα-helixtrans-63-41.3175.6-88.6-0.9000112Q9 M15 M16 K17Q9-D13 WeakPolarHBondContact O-CB 3.35Å; Q9-D13 PolarHBondContact O-N 2.76Å; D13-M15 VanDerWaalsContact C-N 3.34Å; D13-M16 PolarHBondContact O-N 2.96Å; D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 WeakPolarHBondContact O-CG 3.36Å; D13-K17 PolarHBondContact O-N 3.17Å
14L71.3Confident70Confident69 Ų6995.9 Ų95.936%0.36147%0.472SS..Hα-helixtrans-65.6-40.6176.5-15387.5000110.8Y10 Y11 V12 K17 L18 F23Y10-L14 HydrophobicContact CE1-CD1 4.33Å; Y10-L14 VanDerWaalsContact O-CB 3.28Å; Y10-L14 WeakPolarHBondContact O-CB 3.36Å; Y10-L14 PolarHBondContact O-N 2.9Å; Y11-L14 PolarHBondContact O-N 2.86Å; V12-L14 PolarHBondContact O-N 2.61Å; L14-K17 PolarHBondContact O-N 3.35Å; L14-L18 HydrophobicContact CD2-CD1 3.76Å; L14-L18 HydrophobicContact CG-CD1 3.71Å; L14-L18 HydrophobicContact CG-CG 4.49Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 3.46Å; L14-F23 HydrophobicContact CB-CE2 4.1Å; L14-F23 HydrophobicContact CD2-CD2 3.96Å; L14-F23 HydrophobicContact CD2-CE2 3.61Å; L14-F23 HydrophobicContact CG-CD2 4.46Å; L14-F23 HydrophobicContact CG-CE2 4.27Å
15M69.9Low70.7Confident21 Ų2196.7 Ų96.710%0.10347%0.474CS..Hα-helixtrans-62.9-45.8175.9-171.7-172.775.700111.4Y11 V12 D13 K17 G19 F23 V77Y11-M15 WeakPolarHBondContact O-CB 3.28Å; Y11-M15 PolarHBondContact O-N 2.68Å; V12-M15 WeakPolarHBondContact O-CB 3.48Å; V12-M15 PolarHBondContact O-N 2.92Å; D13-M15 VanDerWaalsContact C-N 3.34Å; M15-K17 PolarHBondContact O-N 3.41Å; M15-G19 WeakPolarHBondContact O-CA 3.32Å; M15-G19 PolarHBondContact O-N 2.96Å; M15-F23 HydrophobicContact CB-CD1 4.01Å; M15-F23 HydrophobicContact CB-CE1 4.06Å; M15-F23 HydrophobicContact CB-CG 4.22Å; M15-F23 HydrophobicContact CB-CZ 4.36Å; M15-F23 HydrophobicContact CG-CD1 3.83Å; M15-F23 HydrophobicContact CG-CE1 4.19Å; M15-F23 HydrophobicContact CG-CG 4.26Å; M15-V77 HydrophobicContact CE-CB 4.36Å; M15-V77 HydrophobicContact CE-CG1 3.4Å; M15-V77 HydrophobicContact SD-CB 4.23Å; M15-V77 HydrophobicContact SD-CG1 3.79Å
16M67.8Low71.4Confident128 Ų12892.3 Ų92.363%0.63146%0.464SS*.Hα-helixtrans-62.4-40.2175.9-79.3-88.5-8800112V12 D13V12-M16 WeakPolarHBondContact O-CB 3.39Å; V12-M16 WeakPolarHBondContact O-CG 3.5Å; V12-M16 PolarHBondContact O-N 2.84Å; D13-M16 PolarHBondContact O-N 2.96Å
17K75.8Confident71.6Confident178 Ų17888.9 Ų88.977%0.77445%0.446SS*.Hα-helixtrans-72.9-43.5179.3-82.6-178.9177.41740114.1D13 L14 M15D13-K17 WeakPolarHBondContact O-CB 3.46Å; D13-K17 WeakPolarHBondContact O-CG 3.36Å; D13-K17 PolarHBondContact O-N 3.17Å; L14-K17 PolarHBondContact O-N 3.35Å; M15-K17 PolarHBondContact O-N 3.41Å
18L71.6Confident72.2Confident57 Ų5784 Ų8430%0.29842%0.424SS..Hα-helixtrans-81.9-23.6-176.7-72.1167000112.1L14 R22 F23 L26L14-L18 HydrophobicContact CD2-CD1 3.76Å; L14-L18 HydrophobicContact CG-CD1 3.71Å; L14-L18 HydrophobicContact CG-CG 4.49Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 3.46Å; L18-R22 HydrophobicContact CB-CB 4.31Å; L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 WeakPolarHBondContact O-CD 3.36Å; L18-F23 HydrophobicContact CB-CB 4.2Å; L18-F23 HydrophobicContact CD1-CD2 4Å; L18-L26 HydrophobicContact CD1-CD1 3.87Å
19G70.4Confident72.9Confident31 Ų3187.1 Ų87.132%0.3243%0.433SS..  trans80.2149.1-168.700000111.6M15 V21 R22 F23M15-G19 WeakPolarHBondContact O-CA 3.32Å; M15-G19 PolarHBondContact O-N 2.96Å; G19-V21 PolarHBondContact O-N 3.36Å; G19-V21 VanDerWaalsContact O-N 3.13Å; G19-R22 PolarHBondContact O-N 3.15Å; G19-F23 WeakPolarHBondContact O-CB 3.46Å; G19-F23 PolarHBondContact O-N 3Å
20L68.5Low73.5Confident98 Ų9883.5 Ų83.551%0.51343%0.425SS..Hα-helixtrans-52.2-40.8-171.4-136.1158.4000112.7S24 S74L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.28Å; L20-S24 PolarHBondContact O-N 3.46Å; L20-S24 PolarHBondContact O-OG 3.31Å; L20-S74 WeakPolarHBondContact CD2-OG 3.35Å
21V70.6Confident73.8Confident110 Ų11078.6 Ų78.667%0.66741%0.41SS*.Hα-helixtrans-73.5-42.2-177.5-176.30000113.2G19 S24 M25G19-V21 PolarHBondContact O-N 3.36Å; G19-V21 VanDerWaalsContact O-N 3.13Å; V21-S24 VanDerWaalsContact C-OG 3.24Å; V21-S24 VanDerWaalsContact CA-OG 3.25Å; V21-S24 WeakPolarHBondContact CA-OG 3.21Å; V21-S24 PolarHBondContact O-OG 3.12Å; V21-M25 PolarHBondContact O-N 3.1Å; V21-M25 VanDerWaalsContact O-N 3.14Å
22R74.8Confident74.3Confident180 Ų18076.9 Ų76.968%0.67941%0.406SS*.Hα-helixtrans-74.3-37.5179.8-67.4-176176.3157.5-1.7111.3L18 G19 M25 L26L18-R22 HydrophobicContact CB-CB 4.31Å; L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 WeakPolarHBondContact O-CD 3.36Å; G19-R22 PolarHBondContact O-N 3.15Å; R22-M25 PolarHBondContact O-N 2.82Å; R22-L26 PolarHBondContact O-N 3.39Å
23F76.3Confident75Confident15 Ų1578.5 Ų78.57%0.06642%0.416CS..Hα-helixtrans-65.5-44.5177.2-176.6-107.7000111.9Y11 L14 M15 L18 G19 M25 L26 L27Y11-F23 HydrophobicContact CD1-CE1 4.31Å; Y11-F23 HydrophobicContact CD1-CZ 4.01Å; Y11-F23 AromaticContact CD2-CZ 3.98Å; Y11-F23 HydrophobicContact CD2-CZ 3.98Å; Y11-F23 AromaticContact CE1-CE1 3.48Å; Y11-F23 HydrophobicContact CE1-CE1 3.48Å; Y11-F23 VanDerWaalsContact CE1-CE1 3.48Å; Y11-F23 AromaticContact CE1-CZ 3.49Å; Y11-F23 HydrophobicContact CE1-CZ 3.49Å; Y11-F23 VanDerWaalsContact CE1-CZ 3.49Å; Y11-F23 HydrophobicContact CE2-CE1 4.15Å; Y11-F23 HydrophobicContact CE2-CE2 4.45Å; Y11-F23 AromaticContact CE2-CZ 3.47Å; Y11-F23 HydrophobicContact CE2-CZ 3.47Å; Y11-F23 VanDerWaalsContact CE2-CZ 3.47Å; Y11-F23 HydrophobicContact CG-CZ 4.21Å; Y11-F23 AromaticContact CZ-CE1 3.35Å; Y11-F23 AromaticContact CZ-CZ 3.15Å; Y11-F23 WeakPolarHBondContact OH-CE1 3.44Å; Y11-F23 WeakPolarHBondContact OH-CZ 3.31Å; L14-F23 HydrophobicContact CB-CE2 4.1Å; L14-F23 HydrophobicContact CD2-CD2 3.96Å; L14-F23 HydrophobicContact CD2-CE2 3.61Å; L14-F23 HydrophobicContact CG-CD2 4.46Å; L14-F23 HydrophobicContact CG-CE2 4.27Å; M15-F23 HydrophobicContact CB-CD1 4.01Å; M15-F23 HydrophobicContact CB-CE1 4.06Å; M15-F23 HydrophobicContact CB-CG 4.22Å; M15-F23 HydrophobicContact CB-CZ 4.36Å; M15-F23 HydrophobicContact CG-CD1 3.83Å; M15-F23 HydrophobicContact CG-CE1 4.19Å; M15-F23 HydrophobicContact CG-CG 4.26Å; L18-F23 HydrophobicContact CB-CB 4.2Å; L18-F23 HydrophobicContact CD1-CD2 4Å; G19-F23 WeakPolarHBondContact O-CB 3.46Å; G19-F23 PolarHBondContact O-N 3Å; F23-M25 VanDerWaalsContact C-N 3.34Å; F23-M25 PolarHBondContact O-N 3.2Å; F23-L26 PolarHBondContact O-N 3.24Å; F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 PolarHBondContact O-N 3.19Å
24S73.1Confident75.4Confident25 Ų2579 Ų7918%0.17542%0.418CS..Hα-helixtrans-58.4-43.2172.443.80000112.4L20 V21 A28L20-S24 VanDerWaalsContact O-CB 3.29Å; L20-S24 WeakPolarHBondContact O-CB 3.28Å; L20-S24 PolarHBondContact O-N 3.46Å; L20-S24 PolarHBondContact O-OG 3.31Å; V21-S24 VanDerWaalsContact C-OG 3.24Å; V21-S24 VanDerWaalsContact CA-OG 3.25Å; V21-S24 WeakPolarHBondContact CA-OG 3.21Å; V21-S24 PolarHBondContact O-OG 3.12Å; S24-A28 WeakPolarHBondContact O-CB 3.26Å; S24-A28 PolarHBondContact O-N 3.28Å
25M75.9Confident75.7Confident143 Ų14377.2 Ų77.270%0.70441%0.413SS*.Hα-helixtrans-60.8-43.2173.8-95.6-167.217200113.2V21 R22 F23 A28 L29V21-M25 PolarHBondContact O-N 3.1Å; V21-M25 VanDerWaalsContact O-N 3.14Å; R22-M25 PolarHBondContact O-N 2.82Å; F23-M25 VanDerWaalsContact C-N 3.34Å; F23-M25 PolarHBondContact O-N 3.2Å; M25-A28 WeakPolarHBondContact O-CB 3.42Å; M25-A28 PolarHBondContact O-N 3.28Å; M25-L29 WeakPolarHBondContact O-CB 3.31Å; M25-L29 PolarHBondContact O-N 3.24Å
26L78.2Confident76.2Confident92 Ų9278 Ų7848%0.48242%0.417SS..Hα-helixtrans-65.6-44.9179-110161.5000111.9L18 R22 F23 A28 L29 A30L18-L26 HydrophobicContact CD1-CD1 3.87Å; R22-L26 PolarHBondContact O-N 3.39Å; F23-L26 PolarHBondContact O-N 3.24Å; L26-A28 VanDerWaalsContact C-N 3.28Å; L26-A28 PolarHBondContact O-N 2.99Å; L26-L29 PolarHBondContact O-N 2.94Å; L26-A30 WeakPolarHBondContact O-CB 3.41Å; L26-A30 PolarHBondContact O-N 2.72Å
27L77.3Confident76.9Confident45 Ų4575.9 Ų75.924%0.23641%0.412CS..Hα-helixtrans-62.6-41.1175-167.879.2000110.5F23 A30 L31 V70 L73F23-L27 WeakPolarHBondContact O-CB 3.48Å; F23-L27 PolarHBondContact O-N 3.19Å; L27-A30 PolarHBondContact O-N 3.42Å; L27-L31 HydrophobicContact CG-CD1 4.3Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.25Å; L27-L31 PolarHBondContact O-N 3.35Å; L27-V70 HydrophobicContact CD2-CG2 4.07Å; L27-L73 HydrophobicContact CD2-CD2 4.16Å
28A77.7Confident77.1Confident23 Ų2371.3 Ų71.319%0.1940%0.398CS..Hα-helixtrans-61.5-48.2177.600000112.3S24 M25 L26 A30 L31 V32 T66 V70S24-A28 WeakPolarHBondContact O-CB 3.26Å; S24-A28 PolarHBondContact O-N 3.28Å; M25-A28 WeakPolarHBondContact O-CB 3.42Å; M25-A28 PolarHBondContact O-N 3.28Å; L26-A28 VanDerWaalsContact C-N 3.28Å; L26-A28 PolarHBondContact O-N 2.99Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.45Å; A28-L31 PolarHBondContact O-N 3.16Å; A28-V32 WeakPolarHBondContact O-CG2 3.36Å; A28-V32 PolarHBondContact O-N 3.46Å; A28-T66 HydrophobicContact CB-CG2 3.15Å; A28-V70 HydrophobicContact CB-CG2 4.24Å
29L80.3Confident77.4Confident116 Ų11671.4 Ų71.461%0.60740%0.397SS*.Hα-helixtrans-57.9-46.6174.4-170.586.6000111M25 L26 L31 V32 V33M25-L29 WeakPolarHBondContact O-CB 3.31Å; M25-L29 PolarHBondContact O-N 3.24Å; L26-L29 PolarHBondContact O-N 2.94Å; L29-L31 PolarHBondContact O-N 2.95Å; L29-V32 PolarHBondContact O-N 3.47Å; L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 2.79Å
30A79.2Confident77.9Confident56 Ų5674 Ų7446%0.46340%0.402SS..Hα-helixtrans-62.6-40.2179.600000112.4L26 L27 A28 L34L26-A30 WeakPolarHBondContact O-CB 3.41Å; L26-A30 PolarHBondContact O-N 2.72Å; L27-A30 PolarHBondContact O-N 3.42Å; A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A30 PolarHBondContact O-N 3.45Å; A30-L34 VanDerWaalsContact O-CB 3.22Å; A30-L34 WeakPolarHBondContact O-CB 3.36Å; A30-L34 PolarHBondContact O-N 2.98Å
31L80.5Confident78.4Confident60 Ų6071.8 Ų71.831%0.31440%0.398SS..Hα-helixtrans-64.6-43.9175.9-82.1164.9000112.1L27 A28 L29 L34 A35 T66 A69L27-L31 HydrophobicContact CG-CD1 4.3Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 WeakPolarHBondContact O-CG 3.25Å; L27-L31 PolarHBondContact O-N 3.35Å; A28-L31 PolarHBondContact O-N 3.16Å; L29-L31 PolarHBondContact O-N 2.95Å; L31-L34 PolarHBondContact O-N 2.84Å; L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.1Å; L31-T66 HydrophobicContact CB-CG2 4.44Å; L31-T66 HydrophobicContact CD1-CG2 4.32Å; L31-A69 HydrophobicContact CD1-CB 3.95Å
32V81.2Confident78.8Confident29 Ų2970.1 Ų70.118%0.17639%0.388CS..Hα-helixtrans-65-45.5177.3173.70000110.9A28 L29 L34 A35 I36A28-V32 WeakPolarHBondContact O-CG2 3.36Å; A28-V32 PolarHBondContact O-N 3.46Å; L29-V32 PolarHBondContact O-N 3.47Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.32Å; V32-A35 PolarHBondContact O-N 3.24Å; V32-I36 HydrophobicContact CG1-CD1 4Å; V32-I36 VanDerWaalsContact O-CG1 3.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.26Å; V32-I36 PolarHBondContact O-N 3.38Å
33V81.1Confident79Confident78 Ų7862.2 Ų62.247%0.47336%0.36SS..Hα-helixtrans-60.6-44.6176.3170.90000110.8L29 A35 I36 V37L29-V33 WeakPolarHBondContact O-CB 3.48Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 2.79Å; V33-A35 PolarHBondContact O-N 3.19Å; V33-I36 PolarHBondContact O-N 2.91Å; V33-V37 HydrophobicContact CG1-CG2 4.47Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 3.03Å
34L81Confident79.1Confident105 Ų10567.9 Ų67.955%0.5539%0.388SS..Hα-helixtrans-62.3-43.7177.2-175.369.5000111.6A30 L31 V32 I36 V37 V38A30-L34 VanDerWaalsContact O-CB 3.22Å; A30-L34 WeakPolarHBondContact O-CB 3.36Å; A30-L34 PolarHBondContact O-N 2.98Å; L31-L34 PolarHBondContact O-N 2.84Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.32Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.28Å; L34-V37 PolarHBondContact O-N 2.87Å; L34-V38 HydrophobicContact CD1-CG2 4.32Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 WeakPolarHBondContact O-CB 3.48Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.16Å; L34-V38 PolarHBondContact O-N 3.22Å
35A78.4Confident79.4Confident31 Ų3172.8 Ų72.826%0.25642%0.417SS..Hα-helixtrans-59.8-43177.300000111.7L31 V32 V33 Q39L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.1Å; V32-A35 PolarHBondContact O-N 3.24Å; V33-A35 PolarHBondContact O-N 3.19Å; A35-Q39 VanDerWaalsContact O-CB 3.25Å; A35-Q39 WeakPolarHBondContact O-CB 3.48Å; A35-Q39 PolarHBondContact O-N 3.18Å
36I81.4Confident79.6Confident38 Ų3871.9 Ų71.920%0.19541%0.414CS..Hα-helixtrans-62-48.2175.2-65.1161.8000110.9V32 V33 L34 Q39 M40 I59V32-I36 HydrophobicContact CG1-CD1 4Å; V32-I36 VanDerWaalsContact O-CG1 3.29Å; V32-I36 WeakPolarHBondContact O-CG1 3.26Å; V32-I36 PolarHBondContact O-N 3.38Å; V33-I36 PolarHBondContact O-N 2.91Å; L34-I36 VanDerWaalsContact C-N 3.33Å; L34-I36 PolarHBondContact O-N 3.28Å; I36-Q39 PolarHBondContact O-N 2.94Å; I36-M40 HydrophobicContact CG2-CG 4.38Å; I36-M40 HydrophobicContact CG2-SD 4.02Å; I36-M40 WeakPolarHBondContact O-CB 3.37Å; I36-M40 WeakPolarHBondContact O-CG 3.48Å; I36-M40 PolarHBondContact O-N 3.22Å; I36-I59 HydrophobicContact CD1-CG1 3.81Å; I36-I59 HydrophobicContact CG1-CG1 4.01Å
37V81Confident79.3Confident84 Ų8474.6 Ų74.651%0.50942%0.424SS..Hα-helixtrans-62.8-45.4-1791710000111.5V33 L34 A41V33-V37 HydrophobicContact CG1-CG2 4.47Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 3.03Å; L34-V37 PolarHBondContact O-N 2.87Å; V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 3.01Å
38V79.7Confident79.2Confident81 Ų8175.3 Ų75.349%0.49144%0.442SS..Hα-helixtrans-62.8-45.2178.3170.60000110.3L34 A41 V42L34-V38 HydrophobicContact CD1-CG2 4.32Å; L34-V38 HydrophobicContact CG-CG2 4.32Å; L34-V38 WeakPolarHBondContact O-CB 3.48Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.16Å; L34-V38 PolarHBondContact O-N 3.22Å; V38-A41 PolarHBondContact O-N 3.17Å; V38-V42 HydrophobicContact CG1-CG2 4.42Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.41Å; V38-V42 PolarHBondContact O-N 3.46Å
39Q79.3Confident79.1Confident59 Ų5981.5 Ų81.528%0.27647%0.467SS..Hα-helixtrans-69.8-39.2-177.9-165.1149.4-22.500112.1A35 I36 V42 T43 D54 S58A35-Q39 VanDerWaalsContact O-CB 3.25Å; A35-Q39 WeakPolarHBondContact O-CB 3.48Å; A35-Q39 PolarHBondContact O-N 3.18Å; I36-Q39 PolarHBondContact O-N 2.94Å; Q39-V42 PolarHBondContact O-N 3.49Å; Q39-T43 PolarHBondContact O-N 3.01Å; Q39-T43 PolarHBondContact O-OG1 3.49Å; Q39-D54 PolarHBondContact NE2-O 3.39Å; Q39-S58 WeakPolarHBondContact CB-OG 3.43Å; Q39-S58 WeakPolarHBondContact CG-OG 3.34Å; Q39-S58 PolarHBondContact NE2-OG 2.89Å; Q39-S58 PolarHBondContact OE1-OG 3.43Å
40M79.4Confident78.7Confident85 Ų8578.6 Ų78.642%0.41945%0.454SS..Hα-helixtrans-59.6-43.2170-79.6-177.370.900112I36 V42 T43 M44 V50 V55I36-M40 HydrophobicContact CG2-CG 4.38Å; I36-M40 HydrophobicContact CG2-SD 4.02Å; I36-M40 WeakPolarHBondContact O-CB 3.37Å; I36-M40 WeakPolarHBondContact O-CG 3.48Å; I36-M40 PolarHBondContact O-N 3.22Å; M40-V42 VanDerWaalsContact C-N 3.35Å; M40-T43 PolarHBondContact O-OG1 2.95Å; M40-M44 WeakPolarHBondContact O-CB 3.35Å; M40-M44 PolarHBondContact O-N 2.89Å; M40-V50 HydrophobicContact CG-CG1 4.47Å; M40-V55 HydrophobicContact CG-CG2 4.48Å
41A79.8Confident78.5Confident53 Ų5382.1 Ų82.144%0.43846%0.461SS..Hα-helixtrans-63.6-41.9177.500000111.4V37 V38 V45V37-A41 WeakPolarHBondContact O-CB 3.31Å; V37-A41 PolarHBondContact O-N 3.01Å; V38-A41 PolarHBondContact O-N 3.17Å; A41-V45 WeakPolarHBondContact O-CB 3.39Å; A41-V45 WeakPolarHBondContact O-CG2 3.48Å; A41-V45 PolarHBondContact O-N 3.49Å; A41-V45 VanDerWaalsContact O-N 3.09Å
42V78.8Confident78.1Confident75 Ų7584 Ų8446%0.45548%0.479SS..Hα-helixtrans-66.3-45.3178.9169.90000111.8V38 Q39 M40 V45 L46V38-V42 HydrophobicContact CG1-CG2 4.42Å; V38-V42 VanDerWaalsContact O-CG2 3.25Å; V38-V42 WeakPolarHBondContact O-CG2 3.41Å; V38-V42 PolarHBondContact O-N 3.46Å; Q39-V42 PolarHBondContact O-N 3.49Å; M40-V42 VanDerWaalsContact C-N 3.35Å; V42-V45 PolarHBondContact O-N 2.72Å; V42-L46 HydrophobicContact CG1-CD1 3.69Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.3Å; V42-L46 PolarHBondContact O-N 3.05Å
43T78.9Confident78Confident14 Ų1487.1 Ų87.19%0.08649%0.494CS..Hα-helixtrans-69.7-38179.546.70000112.2Q39 M40 V45 L46 H47 D54Q39-T43 PolarHBondContact O-N 3.01Å; Q39-T43 PolarHBondContact O-OG1 3.49Å; M40-T43 PolarHBondContact O-OG1 2.95Å; T43-V45 VanDerWaalsContact C-N 3.3Å; T43-V45 PolarHBondContact O-N 2.95Å; T43-L46 PolarHBondContact O-N 3.27Å; T43-H47 PolarHBondContact O-N 2.99Å; T43-D54 HydrophobicContact CG2-CB 3.99Å; T43-D54 WeakPolarHBondContact CG2-OD2 3.46Å
44M78.9Confident77.7Confident133 Ų13384.9 Ų84.966%0.65548%0.48SS*.Hα-helixtrans-61.4-37.8174.1-168.3170.4-170.200112.2M40 G48 V50M40-M44 WeakPolarHBondContact O-CB 3.35Å; M40-M44 PolarHBondContact O-N 2.89Å; M44-G48 PolarHBondContact O-N 2.77Å; M44-V50 HydrophobicContact CB-CG2 4.27Å
45V80.3Confident77.4Confident129 Ų12982 Ų8278%0.78247%0.466SS*.Hα-helixtrans-72.4-35.4176.1169.70000112.5A41 V42 T43A41-V45 WeakPolarHBondContact O-CB 3.39Å; A41-V45 WeakPolarHBondContact O-CG2 3.48Å; A41-V45 PolarHBondContact O-N 3.49Å; A41-V45 VanDerWaalsContact O-N 3.09Å; V42-V45 PolarHBondContact O-N 2.72Å; T43-V45 VanDerWaalsContact C-N 3.3Å; T43-V45 PolarHBondContact O-N 2.95Å
46L78.7Confident77.4Confident124 Ų12485.9 Ų85.965%0.64948%0.481SS*.Hα-helixtrans-86.4-43.9-174-77.6165.1000114.6V42 T43V42-L46 HydrophobicContact CG1-CD1 3.69Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.3Å; V42-L46 PolarHBondContact O-N 3.05Å; T43-L46 PolarHBondContact O-N 3.27Å
47H72.9Confident77.3Confident149 Ų14991.8 Ų91.869%0.6950%0.501SS*.Hα-helixtrans-114.9-6.4-170.5-70.979.8000113.5T43 Q49T43-H47 PolarHBondContact O-N 2.99Å; H47-Q49 PolarHBondContact O-N 2.98Å
48G74.6Confident77Confident60 Ų6087.8 Ų87.862%0.61948%0.477SS*.SBendtrans67.4-5.9-177.800000114.9M44M44-G48 PolarHBondContact O-N 2.77Å
49Q75.1Confident77Confident152 Ų15287.1 Ų87.171%0.7147%0.47SS*.SBendtrans-137.6142.8178.1-54.6-170.7-4.900108.4H47H47-Q49 PolarHBondContact O-N 2.98Å
50V71.7Confident77.1Confident56 Ų5691 Ų9134%0.33949%0.486SS..  trans-103.6113.1176.2-179.60000107.3M40 M44 V55M40-V50 HydrophobicContact CG-CG1 4.47Å; M44-V50 HydrophobicContact CB-CG2 4.27Å; V50-V55 HydrophobicContact CG1-CG2 4.2Å
51E74.9Confident77.1Confident129 Ų12993.1 Ų93.160%0.60349%0.493SS*.  trans-79.4144.5172.9-70.1-172.3172.300110.2I53 D54E51-I53 HydrophobicContact CB-CG2 4.43Å; E51-I53 PolarHBondContact O-N 2.85Å; E51-D54 WeakPolarHBondContact O-CB 3.49Å; E51-D54 PolarHBondContact O-N 3.38Å
52S73.8Confident76.9Confident100 Ų10090.8 Ų90.870%0.69948%0.475SS*.Hα-helixtrans-55.3-23.9177.1-55.90000113.1D54 I56S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 PolarHBondContact O-N 3.16Å; S52-I56 WeakPolarHBondContact O-CG1 3.32Å; S52-I56 PolarHBondContact O-N 2.95Å
53I78.7Confident77Confident94 Ų9492.9 Ų92.948%0.48248%0.483SS..Hα-helixtrans-70.6-27.5-179.9-133.5150.6000112.7E51 I56 R57E51-I53 HydrophobicContact CB-CG2 4.43Å; E51-I53 PolarHBondContact O-N 2.85Å; I53-I56 PolarHBondContact O-N 3.23Å; I53-R57 PolarHBondContact O-N 3.06Å; I53-R57 VanDerWaalsContact O-N 3.09Å
54D74.4Confident77.2Confident32 Ų3297 Ų9717%0.17150%0.504CS..Hα-helixtrans-73.3-39.5179.3-67.4-37.7000111.5Q39 T43 E51 S52 I56 R57 S58Q39-D54 PolarHBondContact NE2-O 3.39Å; T43-D54 HydrophobicContact CG2-CB 3.99Å; T43-D54 WeakPolarHBondContact CG2-OD2 3.46Å; E51-D54 WeakPolarHBondContact O-CB 3.49Å; E51-D54 PolarHBondContact O-N 3.38Å; S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 PolarHBondContact O-N 3.16Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 3.47Å; D54-R57 PolarHBondContact O-N 3.2Å; D54-S58 PolarHBondContact O-N 2.8Å; D54-S58 PolarHBondContact O-OG 3.48Å
55V74.7Confident77.3Confident43 Ų4394.8 Ų94.826%0.26149%0.494SS..Hα-helixtrans-62.8-42.3174.9-1780000110.2M40 V50 S58 I59M40-V55 HydrophobicContact CG-CG2 4.48Å; V50-V55 HydrophobicContact CG1-CG2 4.2Å; V55-S58 WeakPolarHBondContact O-CB 3.22Å; V55-S58 PolarHBondContact O-N 3.02Å; V55-I59 HydrophobicContact CG1-CD1 4.03Å; V55-I59 WeakPolarHBondContact O-CG1 3.3Å; V55-I59 PolarHBondContact O-N 3.11Å
56I79Confident77.4Confident113 Ų11389.1 Ų89.158%0.57946%0.459SS*.Hα-helixtrans-64.3-43.7178.5-66.3167.6000111.4S52 I53 D54 S58 I59 F60S52-I56 WeakPolarHBondContact O-CG1 3.32Å; S52-I56 PolarHBondContact O-N 2.95Å; I53-I56 PolarHBondContact O-N 3.23Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 3.47Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 2.92Å; I56-I59 PolarHBondContact O-N 2.91Å; I56-F60 PolarHBondContact O-N 3.01Å
57R78.3Confident77.5Confident162 Ų16287.1 Ų87.161%0.61145%0.454SS*.Hα-helixtrans-60.3-42.2174.6-88-174.3-151.7170.410.5112I53 D54 I59 F60 F61I53-R57 PolarHBondContact O-N 3.06Å; I53-R57 VanDerWaalsContact O-N 3.09Å; D54-R57 PolarHBondContact O-N 3.2Å; R57-I59 PolarHBondContact O-N 2.91Å; R57-F60 PolarHBondContact O-N 3.16Å; R57-F61 WeakPolarHBondContact O-CB 3.5Å; R57-F61 PolarHBondContact O-N 3.37Å
58S75Confident78.1Confident1 Ų189.2 Ų89.21%0.00746%0.456CS..Hα-helixtrans-60.1-45.9178.8-46.80000111.6Q39 D54 V55 I56 F61 G62Q39-S58 WeakPolarHBondContact CB-OG 3.43Å; Q39-S58 WeakPolarHBondContact CG-OG 3.34Å; Q39-S58 PolarHBondContact NE2-OG 2.89Å; Q39-S58 PolarHBondContact OE1-OG 3.43Å; D54-S58 PolarHBondContact O-N 2.8Å; D54-S58 PolarHBondContact O-OG 3.48Å; V55-S58 WeakPolarHBondContact O-CB 3.22Å; V55-S58 PolarHBondContact O-N 3.02Å; I56-S58 VanDerWaalsContact C-N 3.32Å; I56-S58 PolarHBondContact O-N 2.92Å; S58-F61 PolarHBondContact O-N 3.13Å; S58-G62 PolarHBondContact O-N 3.15Å
59I79.2Confident78.4Confident66 Ų6688.1 Ų88.134%0.33844%0.44SS..Hα-helixtrans-62.5-45177.4-68.1166.4000110.3I36 V55 I56 R57 G62 L63I36-I59 HydrophobicContact CD1-CG1 3.81Å; I36-I59 HydrophobicContact CG1-CG1 4.01Å; V55-I59 HydrophobicContact CG1-CD1 4.03Å; V55-I59 WeakPolarHBondContact O-CG1 3.3Å; V55-I59 PolarHBondContact O-N 3.11Å; I56-I59 PolarHBondContact O-N 2.91Å; R57-I59 PolarHBondContact O-N 2.91Å; I59-G62 PolarHBondContact O-N 2.86Å; I59-L63 HydrophobicContact CG2-CD1 4.09Å; I59-L63 WeakPolarHBondContact O-CB 3.32Å; I59-L63 PolarHBondContact O-N 2.93Å
60F81.9Confident78.6Confident142 Ų14281.8 Ų81.862%0.62341%0.412SS*.Hα-helixtrans-64-45.8-179.9-170.1-94.4000112.1I56 R57 G62 L63 L64I56-F60 PolarHBondContact O-N 3.01Å; R57-F60 PolarHBondContact O-N 3.16Å; F60-G62 VanDerWaalsContact C-N 3.35Å; F60-L63 PolarHBondContact O-N 3.12Å; F60-L64 WeakPolarHBondContact O-CB 3.34Å; F60-L64 PolarHBondContact O-N 3.33Å
61F78.9Confident79.2Confident128 Ų12886.5 Ų86.556%0.56143%0.425SS*.Hα-helixtrans-64.7-40.7177.5-132.8-99000111.5R57 S58 L64 I65R57-F61 WeakPolarHBondContact O-CB 3.5Å; R57-F61 PolarHBondContact O-N 3.37Å; S58-F61 PolarHBondContact O-N 3.13Å; F61-L64 PolarHBondContact O-N 3.5Å; F61-I65 HydrophobicContact CD1-CD1 3.4Å; F61-I65 VanDerWaalsContact CD1-CD1 3.4Å; F61-I65 HydrophobicContact CD1-CG1 4.31Å; F61-I65 HydrophobicContact CE1-CD1 3.46Å; F61-I65 VanDerWaalsContact CE1-CD1 3.46Å; F61-I65 HydrophobicContact CE1-CG1 4.49Å; F61-I65 WeakPolarHBondContact O-CG1 3.29Å; F61-I65 PolarHBondContact O-N 2.85Å
62G77.3Confident79.5Confident5 Ų587 Ų875%0.05243%0.426CS..Hα-helixtrans-58.3-51.9172.100000111.7S58 I59 F60 L64 I65 T66S58-G62 PolarHBondContact O-N 3.15Å; I59-G62 PolarHBondContact O-N 2.86Å; F60-G62 VanDerWaalsContact C-N 3.35Å; G62-L64 VanDerWaalsContact C-N 3.26Å; G62-L64 PolarHBondContact O-N 3.47Å; G62-I65 PolarHBondContact O-N 3.21Å; G62-T66 WeakPolarHBondContact O-CB 3.48Å; G62-T66 PolarHBondContact O-N 2.67Å; G62-T66 PolarHBondContact O-OG1 3.4Å
63L79.9Confident79.7Confident119 Ų11985.1 Ų85.162%0.62341%0.407SS*.Hα-helixtrans-61.3-33.9179.5-117.4103.3000112.8I59 F60 P67I59-L63 HydrophobicContact CG2-CD1 4.09Å; I59-L63 WeakPolarHBondContact O-CB 3.32Å; I59-L63 PolarHBondContact O-N 2.93Å; F60-L63 PolarHBondContact O-N 3.12Å; L63-P67 WeakPolarHBondContact O-CD 3.28Å
64L82.6Confident79.6Confident101 Ų10181.9 Ų81.953%0.52939%0.393SS..Hα-helixtrans-73.2-44.3-179.9-166.980.7000112.3F60 F61 G62F60-L64 WeakPolarHBondContact O-CB 3.34Å; F60-L64 PolarHBondContact O-N 3.33Å; F61-L64 PolarHBondContact O-N 3.5Å; G62-L64 VanDerWaalsContact C-N 3.26Å; G62-L64 PolarHBondContact O-N 3.47Å
65I81.6Confident79.9Confident86 Ų8682.5 Ų82.544%0.44140%0.398SS..Hα-helixtrans-82.9-34.4-173.8-69.2178.2000112.3F61 G62 W68 A69F61-I65 HydrophobicContact CD1-CD1 3.4Å; F61-I65 VanDerWaalsContact CD1-CD1 3.4Å; F61-I65 HydrophobicContact CD1-CG1 4.31Å; F61-I65 HydrophobicContact CE1-CD1 3.46Å; F61-I65 VanDerWaalsContact CE1-CD1 3.46Å; F61-I65 HydrophobicContact CE1-CG1 4.49Å; F61-I65 WeakPolarHBondContact O-CG1 3.29Å; F61-I65 PolarHBondContact O-N 2.85Å; G62-I65 PolarHBondContact O-N 3.21Å; I65-W68 WeakPolarHBondContact O-CB 3.33Å; I65-W68 PolarHBondContact O-N 3.44Å; I65-W68 VanDerWaalsContact O-N 3.1Å; I65-A69 PolarHBondContact O-N 3.5Å; I65-A69 VanDerWaalsContact O-N 3.1Å
66T82Confident80.2Confident9 Ų983 Ų836%0.05540%0.401CS..Hα-helixtrans-57.3-43.8-169.2-66.70000114.9A28 L31 G62 W68 A69 V70A28-T66 HydrophobicContact CB-CG2 3.15Å; L31-T66 HydrophobicContact CB-CG2 4.44Å; L31-T66 HydrophobicContact CD1-CG2 4.32Å; G62-T66 WeakPolarHBondContact O-CB 3.48Å; G62-T66 PolarHBondContact O-N 2.67Å; G62-T66 PolarHBondContact O-OG1 3.4Å; T66-W68 VanDerWaalsContact C-N 3.28Å; T66-W68 PolarHBondContact O-N 3.25Å; T66-A69 PolarHBondContact O-N 2.92Å; T66-V70 HydrophobicContact CG2-CG2 4.33Å; T66-V70 WeakPolarHBondContact O-CG2 3.23Å; T66-V70 PolarHBondContact O-N 3.18Å
67P81.8Confident80Confident82 Ų8278.1 Ų78.153%0.53238%0.376SS..Hα-helixtrans-59-38.6176.9-24.234.5000113.1L63 Y71L63-P67 WeakPolarHBondContact O-CD 3.28Å; P67-Y71 WeakPolarHBondContact O-CB 3.29Å; P67-Y71 PolarHBondContact O-N 3.39Å
68W84.5Confident80Confident194 Ų19476 Ų7674%0.73537%0.373SS*.Hα-helixtrans-69.1-42.1178.5-68.593.7000111.9I65 T66 Y71 F72I65-W68 WeakPolarHBondContact O-CB 3.33Å; I65-W68 PolarHBondContact O-N 3.44Å; I65-W68 VanDerWaalsContact O-N 3.1Å; T66-W68 VanDerWaalsContact C-N 3.28Å; T66-W68 PolarHBondContact O-N 3.25Å; W68-Y71 PolarHBondContact O-N 2.7Å; W68-F72 WeakPolarHBondContact O-CB 3.48Å; W68-F72 PolarHBondContact O-N 2.88Å
69A81.4Confident80.3Confident36 Ų3681.9 Ų81.930%0.29840%0.4SS..Hα-helixtrans-63.8-44.5178.100000112L31 I65 T66 L73L31-A69 HydrophobicContact CD1-CB 3.95Å; I65-A69 PolarHBondContact O-N 3.5Å; I65-A69 VanDerWaalsContact O-N 3.1Å; T66-A69 PolarHBondContact O-N 2.92Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 3.35Å; A69-L73 VanDerWaalsContact O-N 3.14Å
70V80Confident80.4Confident19 Ų1984.2 Ų84.212%0.11541%0.413CS..Hα-helixtrans-60.3-50.7175166.10000110.8L27 A28 T66 F72 L73 S74L27-V70 HydrophobicContact CD2-CG2 4.07Å; A28-V70 HydrophobicContact CB-CG2 4.24Å; T66-V70 HydrophobicContact CG2-CG2 4.33Å; T66-V70 WeakPolarHBondContact O-CG2 3.23Å; T66-V70 PolarHBondContact O-N 3.18Å; V70-F72 PolarHBondContact O-N 2.94Å; V70-L73 PolarHBondContact O-N 3.44Å; V70-S74 PolarHBondContact O-N 3.36Å; V70-S74 PolarHBondContact O-OG 3.42Å
71Y83.1Confident80.2Confident156 Ų15680.4 Ų80.461%0.61240%0.397SS*.Hα-helixtrans-59.2-49.6-178.8173.9-101000111.7P67 W68 L73 S74 V75P67-Y71 WeakPolarHBondContact O-CB 3.29Å; P67-Y71 PolarHBondContact O-N 3.39Å; W68-Y71 PolarHBondContact O-N 2.7Å; Y71-L73 PolarHBondContact O-N 2.9Å; Y71-S74 PolarHBondContact O-N 3.24Å; Y71-V75 HydrophobicContact CD1-CG2 4.47Å; Y71-V75 HydrophobicContact CD2-CG2 4.43Å; Y71-V75 HydrophobicContact CE1-CG2 4.03Å; Y71-V75 HydrophobicContact CE2-CG2 3.98Å; Y71-V75 WeakPolarHBondContact O-CG2 3.38Å; Y71-V75 PolarHBondContact O-N 2.86Å
72F82.4Confident80.3Confident140 Ų14079.1 Ų79.161%0.61439%0.393SS*.Hα-helixtrans-54.9-44.2178.4178.4-99.8000111.5W68 V70 V75 V76W68-F72 WeakPolarHBondContact O-CB 3.48Å; W68-F72 PolarHBondContact O-N 2.88Å; V70-F72 PolarHBondContact O-N 2.94Å; F72-V75 PolarHBondContact O-N 3.48Å; F72-V76 HydrophobicContact CD1-CG2 4.46Å; F72-V76 HydrophobicContact CE1-CG2 4.08Å; F72-V76 HydrophobicContact CZ-CG2 4.14Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 3.18Å; F72-V76 VanDerWaalsContact O-N 3.15Å
73L78Confident80.4Confident59 Ų5982 Ų8231%0.30941%0.412SS..Hα-helixtrans-72.7-37.5-177.9-154.794000113Y11 L27 A69 V70 Y71 V75 V76 V77Y11-L73 HydrophobicContact CE1-CD2 3.47Å; Y11-L73 VanDerWaalsContact CE1-CD2 3.47Å; Y11-L73 HydrophobicContact CE2-CD2 4.27Å; Y11-L73 WeakPolarHBondContact OH-CD2 3.45Å; L27-L73 HydrophobicContact CD2-CD2 4.16Å; A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 3.35Å; A69-L73 VanDerWaalsContact O-N 3.14Å; V70-L73 PolarHBondContact O-N 3.44Å; Y71-L73 PolarHBondContact O-N 2.9Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 3.41Å; L73-V76 PolarHBondContact O-N 3.33Å; L73-V77 WeakPolarHBondContact O-CG2 3.27Å; L73-V77 PolarHBondContact O-N 3.03Å
74S76.1Confident80.5Confident26 Ų2685 Ų8518%0.18242%0.415CS..Hα-helixtrans-58.3-44172.9-72.70000111.7L20 V70 Y71 V76 V77 E78L20-S74 WeakPolarHBondContact CD2-OG 3.35Å; V70-S74 PolarHBondContact O-N 3.36Å; V70-S74 PolarHBondContact O-OG 3.42Å; Y71-S74 PolarHBondContact O-N 3.24Å; S74-V76 PolarHBondContact O-N 3.17Å; S74-V77 PolarHBondContact O-N 2.91Å; S74-E78 WeakPolarHBondContact O-CB 3.34Å; S74-E78 PolarHBondContact O-N 3.16Å
75V81.3Confident80.5Confident45 Ų4584.7 Ų84.727%0.27341%0.411SS..Hα-helixtrans-62-42.3176.71730000111.6Y71 F72 L73 V77 E78 Q79Y71-V75 HydrophobicContact CD1-CG2 4.47Å; Y71-V75 HydrophobicContact CD2-CG2 4.43Å; Y71-V75 HydrophobicContact CE1-CG2 4.03Å; Y71-V75 HydrophobicContact CE2-CG2 3.98Å; Y71-V75 WeakPolarHBondContact O-CG2 3.38Å; Y71-V75 PolarHBondContact O-N 2.86Å; F72-V75 PolarHBondContact O-N 3.48Å; L73-V75 VanDerWaalsContact C-N 3.32Å; L73-V75 PolarHBondContact O-N 3.41Å; V75-V77 PolarHBondContact O-N 2.84Å; V75-E78 PolarHBondContact O-N 3.07Å; V75-Q79 WeakPolarHBondContact O-CG 3.15Å; V75-Q79 PolarHBondContact O-N 3.26Å
76V79.8Confident80.7Confident53 Ų5387.1 Ų87.132%0.32142%0.415SS..Hα-helixtrans-64.1-40.4178.6171.50000111.8F72 L73 S74 L80F72-V76 HydrophobicContact CD1-CG2 4.46Å; F72-V76 HydrophobicContact CE1-CG2 4.08Å; F72-V76 HydrophobicContact CZ-CG2 4.14Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 3.18Å; F72-V76 VanDerWaalsContact O-N 3.15Å; L73-V76 PolarHBondContact O-N 3.33Å; S74-V76 PolarHBondContact O-N 3.17Å; V76-L80 HydrophobicContact CG1-CD1 4.21Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.25Å; V76-L80 VanDerWaalsContact O-N 3.1Å
77V75.4Confident80.8Confident11 Ų1191.9 Ų91.97%0.06744%0.439CS..Hα-helixtrans-68.7-44.2178.9176.50000111.3Y11 V12 M15 L73 S74 V75 Q79 L80 E81Y11-V77 HydrophobicContact CD1-CG2 4.3Å; Y11-V77 HydrophobicContact CE1-CG2 4.17Å; V12-V77 HydrophobicContact CG2-CG1 3.98Å; M15-V77 HydrophobicContact CE-CB 4.36Å; M15-V77 HydrophobicContact CE-CG1 3.4Å; M15-V77 HydrophobicContact SD-CB 4.23Å; M15-V77 HydrophobicContact SD-CG1 3.79Å; L73-V77 WeakPolarHBondContact O-CG2 3.27Å; L73-V77 PolarHBondContact O-N 3.03Å; S74-V77 PolarHBondContact O-N 2.91Å; V75-V77 PolarHBondContact O-N 2.84Å; V77-Q79 VanDerWaalsContact C-N 3.3Å; V77-Q79 PolarHBondContact O-N 3.49Å; V77-L80 PolarHBondContact O-N 3.37Å; V77-L80 VanDerWaalsContact O-N 3.12Å; V77-E81 PolarHBondContact O-N 3.34Å
78E78.9Confident81Confident119 Ų11990.9 Ų90.956%0.55643%0.434SS*.Hα-helixtrans-58.2-44177-169.9169.8-160.100111.1S74 V75 L80 E81 E82S74-E78 WeakPolarHBondContact O-CB 3.34Å; S74-E78 PolarHBondContact O-N 3.16Å; V75-E78 PolarHBondContact O-N 3.07Å; E78-L80 PolarHBondContact O-N 3.2Å; E78-E81 PolarHBondContact O-N 2.85Å; E78-E82 WeakPolarHBondContact O-CG 3.42Å; E78-E82 PolarHBondContact O-N 3.36Å
79Q81.3Confident81.1Confident123 Ų12388.7 Ų88.758%0.57543%0.426SS*.Hα-helixtrans-62-39.7174.5-76.7-171.5-4.100113.6V75 V77 S83V75-Q79 WeakPolarHBondContact O-CG 3.15Å; V75-Q79 PolarHBondContact O-N 3.26Å; V77-Q79 VanDerWaalsContact C-N 3.3Å; V77-Q79 PolarHBondContact O-N 3.49Å; Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.41Å; Q79-S83 PolarHBondContact O-N 3.06Å
80L79.8Confident81.5Confident115 Ų11591.8 Ų91.860%0.60244%0.437SS*.Hα-helixtrans-66.6-39.3177.9-78.5168.7000111.8V76 V77 E78 S83 R84V76-L80 HydrophobicContact CG1-CD1 4.21Å; V76-L80 WeakPolarHBondContact O-CG 3.41Å; V76-L80 PolarHBondContact O-N 3.25Å; V76-L80 VanDerWaalsContact O-N 3.1Å; V77-L80 PolarHBondContact O-N 3.37Å; V77-L80 VanDerWaalsContact O-N 3.12Å; E78-L80 PolarHBondContact O-N 3.2Å; L80-S83 PolarHBondContact O-N 3.04Å; L80-R84 WeakPolarHBondContact O-CB 3.15Å; L80-R84 PolarHBondContact O-N 3.44Å
81E78.5Confident81.9Confident63 Ų6394.3 Ų94.329%0.29445%0.452SS..Hα-helixtrans-71-43-179.9-165.8156.2-16500111.7V77 E78 S83 R84 Q85V77-E81 PolarHBondContact O-N 3.34Å; E78-E81 PolarHBondContact O-N 2.85Å; E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 3.37Å; E81-R84 PolarHBondContact O-N 2.76Å; E81-Q85 WeakPolarHBondContact O-CG 3.36Å; E81-Q85 PolarHBondContact O-N 2.78Å
82E81.2Confident82.1Confident100 Ų10092.2 Ų92.247%0.46745%0.448SS..Hα-helixtrans-58.6-42.3170.6-77.6-167.816300112.4E78 Q85 R86E78-E82 WeakPolarHBondContact O-CG 3.42Å; E78-E82 PolarHBondContact O-N 3.36Å; E82-Q85 PolarHBondContact O-N 2.88Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 2.89Å; E82-R86 PolarHBondContact O-NE 3.16Å; E82-R86 IonicContact OE2-NH2 3.68Å
83S79Confident82.4Confident65 Ų6592.3 Ų92.346%0.45545%0.448SS..Hα-helixtrans-62.8-43.8177.3-175.40000111.1Q79 L80 E81 Q85 R86 L87Q79-S83 VanDerWaalsContact O-CB 3.29Å; Q79-S83 WeakPolarHBondContact O-CB 3.41Å; Q79-S83 PolarHBondContact O-N 3.06Å; L80-S83 PolarHBondContact O-N 3.04Å; E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 3.37Å; S83-Q85 PolarHBondContact O-N 2.87Å; S83-R86 PolarHBondContact O-N 2.9Å; S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 2.85Å
84R82.4Confident82.9Confident182 Ų18295 Ų9569%0.68746%0.462SS*.Hα-helixtrans-66.4-38.7179.7-158.5-100161.7-172-9.9112L80 E81 S88L80-R84 WeakPolarHBondContact O-CB 3.15Å; L80-R84 PolarHBondContact O-N 3.44Å; E81-R84 PolarHBondContact O-N 2.76Å; R84-S88 PolarHBondContact O-N 3.04Å; R84-S88 VanDerWaalsContact O-N 3.15Å
85Q82.3Confident83.5Confident95 Ų9599.6 Ų99.644%0.44448%0.481SS..Hα-helixtrans-67.4-43.9173.5-71.5-174.211.900112.4E81 E82 S83 L87 S88 R89E81-Q85 WeakPolarHBondContact O-CG 3.36Å; E81-Q85 PolarHBondContact O-N 2.78Å; E82-Q85 PolarHBondContact O-N 2.88Å; S83-Q85 PolarHBondContact O-N 2.87Å; Q85-L87 VanDerWaalsContact C-N 3.32Å; Q85-L87 PolarHBondContact O-N 3.23Å; Q85-S88 PolarHBondContact O-N 3.44Å; Q85-R89 PolarHBondContact O-N 2.93Å; Q85-R89 VanDerWaalsContact O-N 3.11Å
86R84.6Confident83.9Confident138 Ų138102.2 Ų102.252%0.52149%0.49SS..Hα-helixtrans-57.9-45.6175.9-83.7-175.5-80.6-178.8-11.3111.6E82 S83 S88 R89 L90E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 2.89Å; E82-R86 PolarHBondContact O-NE 3.16Å; E82-R86 IonicContact OE2-NH2 3.68Å; S83-R86 PolarHBondContact O-N 2.9Å; R86-S88 PolarHBondContact O-N 3.27Å; R86-R89 PolarHBondContact O-N 3.1Å; R86-L90 WeakPolarHBondContact O-CG 3.32Å; R86-L90 PolarHBondContact O-N 3.07Å
87L85.6Confident84.3Confident109 Ų109105.2 Ų105.257%0.57150%0.502SS*.Hα-helixtrans-62.6-43.4178.9-171.964.5000111.9S83 Q85 R89 L90 V91S83-L87 WeakPolarHBondContact O-CB 3.43Å; S83-L87 PolarHBondContact O-N 2.85Å; Q85-L87 VanDerWaalsContact C-N 3.32Å; Q85-L87 PolarHBondContact O-N 3.23Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.65Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.84Å
88S85.6Confident85Confident61 Ų61114.2 Ų114.243%0.42754%0.535SS..Hα-helixtrans-60.5-42.6177.7-164.60000112.3R84 Q85 R86 L90 V91 Q92R84-S88 PolarHBondContact O-N 3.04Å; R84-S88 VanDerWaalsContact O-N 3.15Å; Q85-S88 PolarHBondContact O-N 3.44Å; R86-S88 PolarHBondContact O-N 3.27Å; S88-L90 VanDerWaalsContact C-N 3.34Å; S88-V91 PolarHBondContact O-N 3.43Å; S88-Q92 PolarHBondContact O-N 2.87Å; S88-Q92 VanDerWaalsContact O-N 3.16Å
89R86.3Confident85.5Confident148 Ų148115.5 Ų115.556%0.55854%0.541SS*.Hα-helixtrans-66.3-35.8177-67.4-177.2-142.9154.56.6112.3Q85 R86 L87 K93Q85-R89 PolarHBondContact O-N 2.93Å; Q85-R89 VanDerWaalsContact O-N 3.11Å; R86-R89 PolarHBondContact O-N 3.1Å; L87-R89 VanDerWaalsContact C-N 3.34Å; L87-R89 PolarHBondContact O-N 2.65Å; R89-K93 WeakPolarHBondContact O-CG 3.43Å; R89-K93 PolarHBondContact O-N 2.94Å; R89-K93 VanDerWaalsContact O-N 3.09Å
90L89.1Confident86Confident101 Ų101118.2 Ų118.253%0.52955%0.546SS..Hα-helixtrans-66.7-43.5176.9-75.8170.3000111.8R86 L87 S88 K93 L94R86-L90 WeakPolarHBondContact O-CG 3.32Å; R86-L90 PolarHBondContact O-N 3.07Å; L87-L90 PolarHBondContact O-N 3.42Å; S88-L90 VanDerWaalsContact C-N 3.34Å; L90-K93 PolarHBondContact O-N 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CD1 3.43Å; L90-L94 PolarHBondContact O-N 3.06Å
91V88.7Confident86.5Confident72 Ų72117.5 Ų117.544%0.43654%0.543SS..Hα-helixtrans-61.4-46.1177.41730000111.1L87 S88 K93 L94 E95L87-V91 WeakPolarHBondContact O-CG2 3.47Å; L87-V91 PolarHBondContact O-N 2.84Å; S88-V91 PolarHBondContact O-N 3.43Å; V91-K93 PolarHBondContact O-N 3.22Å; V91-L94 WeakPolarHBondContact O-CB 3.42Å; V91-L94 PolarHBondContact O-N 3.14Å; V91-L94 VanDerWaalsContact O-N 3.13Å; V91-E95 PolarHBondContact O-N 3.46Å
92Q87.3Confident87.2Confident112 Ų112120.5 Ų120.552%0.52356%0.56SS.*Hα-helixtrans-60.8-43177.1-174.2178.1-3.300112.1S88 L94 E95 E96S88-Q92 PolarHBondContact O-N 2.87Å; S88-Q92 VanDerWaalsContact O-N 3.16Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.43Å; Q92-E95 PolarHBondContact O-N 3.18Å; Q92-E96 PolarHBondContact O-N 2.81Å; Q92-E96 VanDerWaalsContact O-N 3.08Å
93K88.5Confident87.7Confident142 Ų142118.8 Ų118.862%0.61756%0.559SS**Hα-helixtrans-62.4-36174.7-81-175175.4-172.80113.1R89 L90 V91 M97R89-K93 WeakPolarHBondContact O-CG 3.43Å; R89-K93 PolarHBondContact O-N 2.94Å; R89-K93 VanDerWaalsContact O-N 3.09Å; L90-K93 PolarHBondContact O-N 3.31Å; V91-K93 PolarHBondContact O-N 3.22Å; K93-M97 VanDerWaalsContact O-CB 3.28Å; K93-M97 WeakPolarHBondContact O-CB 3.39Å; K93-M97 PolarHBondContact O-N 3.05Å
94L89.7Confident88.3Confident116 Ų116120.3 Ų120.361%0.60756%0.561SS**Hα-helixtrans-66.7-39.4176.6-90.6150.3000111.7L90 V91 Q92 M97 R98L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 WeakPolarHBondContact O-CD1 3.43Å; L90-L94 PolarHBondContact O-N 3.06Å; V91-L94 WeakPolarHBondContact O-CB 3.42Å; V91-L94 PolarHBondContact O-N 3.14Å; V91-L94 VanDerWaalsContact O-N 3.13Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.43Å; L94-M97 PolarHBondContact O-N 3.1Å; L94-R98 WeakPolarHBondContact O-CB 3.14Å; L94-R98 PolarHBondContact O-N 2.82Å
95E88.7Confident88.8Confident122 Ų122115.9 Ų115.957%0.5755%0.552SS**Hα-helixtrans-64.6-48.7175.1-75.2176167.300111.7V91 Q92 M97 R98 E99V91-E95 PolarHBondContact O-N 3.46Å; Q92-E95 PolarHBondContact O-N 3.18Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.23Å; E95-R98 PolarHBondContact O-N 2.71Å; E95-E99 PolarHBondContact O-N 3.22Å
96E89.5Confident89.2Confident99 Ų99115 Ų11546%0.46355%0.553SS.*Hα-helixtrans-59.3-40.7175.8-74.1177.8-172.300112.5Q92 R100Q92-E96 PolarHBondContact O-N 2.81Å; Q92-E96 VanDerWaalsContact O-N 3.08Å; E96-R100 PolarHBondContact O-N 3.01Å
97M88.2Confident89.6Confident117 Ų117113.9 Ų113.958%0.57655%0.553SS**Hα-helixtrans-66.5-40.3178.4-165.7178.5-78.700111K93 L94 E95 R100 D101K93-M97 VanDerWaalsContact O-CB 3.28Å; K93-M97 WeakPolarHBondContact O-CB 3.39Å; K93-M97 PolarHBondContact O-N 3.05Å; L94-M97 PolarHBondContact O-N 3.1Å; E95-M97 VanDerWaalsContact C-N 3.31Å; E95-M97 PolarHBondContact O-N 3.23Å; M97-R100 PolarHBondContact O-N 2.87Å; M97-D101 PolarHBondContact O-N 3.07Å
98R89.9Confident89.9Confident200 Ų200113 Ų11376%0.75555%0.549SS*.Hα-helixtrans-65-40.8177.2-171.5-178.1-176.3174.81.5112.6L94 E95 D101 L102L94-R98 WeakPolarHBondContact O-CB 3.14Å; L94-R98 PolarHBondContact O-N 2.82Å; E95-R98 PolarHBondContact O-N 2.71Å; R98-D101 PolarHBondContact O-N 3.05Å; R98-L102 PolarHBondContact O-N 2.68Å
99E90.3Very high90.2Very high145 Ų145116.7 Ų116.768%0.67856%0.557SS**Hα-helixtrans-64.9-41.8175.1-74-174.9171.800111.7E95 L102 S103E95-E99 PolarHBondContact O-N 3.22Å; E99-L102 PolarHBondContact O-N 2.6Å; E99-S103 PolarHBondContact O-N 2.76Å
100R90.3Very high90.5Very high181 Ų181114.3 Ų114.368%0.68356%0.555SS**Hα-helixtrans-60.5-48173.3-89.2-178.4176155.72112.2E96 M97 L102 S103 L104E96-R100 PolarHBondContact O-N 3.01Å; M97-R100 PolarHBondContact O-N 2.87Å; R100-L102 VanDerWaalsContact C-N 3.3Å; R100-L102 PolarHBondContact O-N 2.9Å; R100-S103 PolarHBondContact O-N 3.37Å; R100-L104 WeakPolarHBondContact O-CB 3.33Å; R100-L104 PolarHBondContact O-N 2.88Å
101D91.8Very high90.8Very high100 Ų100113.7 Ų113.754%0.53555%0.552SS.*Hα-helixtrans-60.5-40.8179.9-75.8-15.9000111.6M97 R98 N105M97-D101 PolarHBondContact O-N 3.07Å; R98-D101 PolarHBondContact O-N 3.05Å; D101-N105 VanDerWaalsContact O-CB 3.25Å; D101-N105 WeakPolarHBondContact O-CB 3.28Å; D101-N105 PolarHBondContact O-N 2.81Å
102L91.7Very high91Very high125 Ų125114.9 Ų114.965%0.65456%0.555SS**Hα-helixtrans-62.6-47.8176.2-173.972000111.5R98 E99 R100 N105 V106R98-L102 PolarHBondContact O-N 2.68Å; E99-L102 PolarHBondContact O-N 2.6Å; R100-L102 VanDerWaalsContact C-N 3.3Å; R100-L102 PolarHBondContact O-N 2.9Å; L102-N105 PolarHBondContact O-N 2.85Å; L102-V106 WeakPolarHBondContact O-CG2 3.11Å; L102-V106 PolarHBondContact O-N 3.48Å; L102-V106 VanDerWaalsContact O-N 3.09Å
103S92Very high91.3Very high64 Ų64112.3 Ų112.345%0.44855%0.554SS.*Hα-helixtrans-60.5-46.4178179.40000111.9E99 R100 N105 V106 Q107E99-S103 PolarHBondContact O-N 2.76Å; R100-S103 PolarHBondContact O-N 3.37Å; S103-N105 VanDerWaalsContact C-N 3.3Å; S103-N105 PolarHBondContact O-N 2.92Å; S103-V106 PolarHBondContact O-N 3.25Å; S103-Q107 WeakPolarHBondContact O-CG 3.49Å; S103-Q107 PolarHBondContact O-N 3.18Å
104L91.4Very high91.5Very high97 Ų97110.7 Ų110.751%0.50855%0.548SS..Hα-helixtrans-61.8-39.6178.6-129.5111000111.6R100 Q107 L108R100-L104 WeakPolarHBondContact O-CB 3.33Å; R100-L104 PolarHBondContact O-N 2.88Å; L104-Q107 PolarHBondContact O-N 2.98Å; L104-L108 HydrophobicContact CD2-CD1 4.19Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.22Å; L104-L108 PolarHBondContact O-N 3.01Å
105N92.8Very high91.7Very high90 Ų90110 Ų11048%0.48155%0.545SS..Hα-helixtrans-69.5-37.6-179-158-27000111.9D101 L102 S103 K109D101-N105 VanDerWaalsContact O-CB 3.25Å; D101-N105 WeakPolarHBondContact O-CB 3.28Å; D101-N105 PolarHBondContact O-N 2.81Å; L102-N105 PolarHBondContact O-N 2.85Å; S103-N105 VanDerWaalsContact C-N 3.3Å; S103-N105 PolarHBondContact O-N 2.92Å; N105-K109 WeakPolarHBondContact O-CG 3.35Å; N105-K109 PolarHBondContact O-N 3Å
106V91.9Very high91.9Very high77 Ų77108.8 Ų108.847%0.46754%0.542SS..Hα-helixtrans-63.1-50.1172.1173.80000110.4L102 S103 L108 K109 D110L102-V106 WeakPolarHBondContact O-CG2 3.11Å; L102-V106 PolarHBondContact O-N 3.48Å; L102-V106 VanDerWaalsContact O-N 3.09Å; S103-V106 PolarHBondContact O-N 3.25Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 PolarHBondContact O-N 3.09Å; V106-K109 PolarHBondContact O-N 2.77Å; V106-K109 VanDerWaalsContact O-N 3.14Å; V106-D110 PolarHBondContact O-N 2.83Å
107Q92.5Very high92.1Very high114 Ų114110.7 Ų110.753%0.53355%0.551SS.*Hα-helixtrans-58.7-41.9177.4-73.6-178.1-15.200112.8S103 L104 D110 N111S103-Q107 WeakPolarHBondContact O-CG 3.49Å; S103-Q107 PolarHBondContact O-N 3.18Å; L104-Q107 PolarHBondContact O-N 2.98Å; Q107-D110 PolarHBondContact O-N 3.47Å; Q107-N111 WeakPolarHBondContact O-CB 3.3Å; Q107-N111 PolarHBondContact O-N 3.22Å; Q107-N111 PolarHBondContact O-ND2 2.88Å
108L92.3Very high92.4Very high90 Ų90109.8 Ų109.847%0.47155%0.545SS..Hα-helixtrans-62.9-41.9176.8-78.9168.3000111.7L104 V106 N111 I112L104-L108 HydrophobicContact CD2-CD1 4.19Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.22Å; L104-L108 PolarHBondContact O-N 3.01Å; V106-L108 VanDerWaalsContact C-N 3.32Å; V106-L108 PolarHBondContact O-N 3.09Å; L108-N111 PolarHBondContact O-N 3.37Å; L108-I112 WeakPolarHBondContact O-CB 3.35Å; L108-I112 WeakPolarHBondContact O-CD1 3.47Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.05Å
109K91.9Very high92.5Very high138 Ų138103.7 Ų103.760%0.653%0.527SS*.Hα-helixtrans-63.4-43.6176.7-77.4179.3-178.7-178.80112.1N105 V106 I112 A113N105-K109 WeakPolarHBondContact O-CG 3.35Å; N105-K109 PolarHBondContact O-N 3Å; V106-K109 PolarHBondContact O-N 2.77Å; V106-K109 VanDerWaalsContact O-N 3.14Å; K109-I112 PolarHBondContact O-N 3.08Å; K109-A113 WeakPolarHBondContact O-CB 3.48Å; K109-A113 PolarHBondContact O-N 3.15Å
110D92.8Very high92.7Very high99 Ų9999.4 Ų99.453%0.52952%0.516SS..Hα-helixtrans-64.5-44.2178.3-68.3-16.2000110.9V106 Q107 I112 A113 Q114V106-D110 PolarHBondContact O-N 2.83Å; Q107-D110 PolarHBondContact O-N 3.47Å; D110-I112 PolarHBondContact O-N 3.23Å; D110-A113 PolarHBondContact O-N 3.33Å; D110-Q114 PolarHBondContact O-N 3.43Å
111N93.9Very high92.8Very high87 Ų8795.2 Ų95.247%0.46551%0.511SS..Hα-helixtrans-61.3-42.5175.3-73.2-15.1000112.1Q107 L108 A113 Q114 L115Q107-N111 WeakPolarHBondContact O-CB 3.3Å; Q107-N111 PolarHBondContact O-N 3.22Å; Q107-N111 PolarHBondContact O-ND2 2.88Å; L108-N111 PolarHBondContact O-N 3.37Å; N111-A113 VanDerWaalsContact C-N 3.35Å; N111-Q114 PolarHBondContact O-N 2.84Å; N111-L115 WeakPolarHBondContact O-CB 3.07Å; N111-L115 WeakPolarHBondContact O-CD1 3.31Å; N111-L115 PolarHBondContact O-N 3.01Å
112I93.4Very high92.9Very high97 Ų9799.5 Ų99.550%0.49752%0.519SS..Hα-helixtrans-63.5-42.5176.8-71.7164.3000110.5L108 K109 D110 L115 N116L108-I112 WeakPolarHBondContact O-CB 3.35Å; L108-I112 WeakPolarHBondContact O-CD1 3.47Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.05Å; K109-I112 PolarHBondContact O-N 3.08Å; D110-I112 PolarHBondContact O-N 3.23Å; I112-L115 PolarHBondContact O-N 3.45Å; I112-N116 WeakPolarHBondContact O-CB 3.24Å; I112-N116 PolarHBondContact O-N 2.8Å; I112-N116 PolarHBondContact O-ND2 3.4Å
113A93Very high93Very high59 Ų5999.5 Ų99.549%0.48852%0.516SS..Hα-helixtrans-62.9-44.8177.600000111.6K109 D110 N111 N116 Q117K109-A113 WeakPolarHBondContact O-CB 3.48Å; K109-A113 PolarHBondContact O-N 3.15Å; D110-A113 PolarHBondContact O-N 3.33Å; N111-A113 VanDerWaalsContact C-N 3.35Å; A113-N116 PolarHBondContact O-N 3.23Å; A113-Q117 PolarHBondContact O-N 3.3Å; A113-Q117 VanDerWaalsContact O-N 3.1Å
114Q93.4Very high93.1Very high107 Ų107102.9 Ų102.950%0.552%0.523SS..Hα-helixtrans-63.6-45.9176.4-173.5-179.8-12.800111.9D110 N111 N116 Q117 E118D110-Q114 PolarHBondContact O-N 3.43Å; N111-Q114 PolarHBondContact O-N 2.84Å; Q114-N116 VanDerWaalsContact C-N 3.34Å; Q114-N116 PolarHBondContact O-N 2.89Å; Q114-Q117 PolarHBondContact O-N 3.46Å; Q114-E118 PolarHBondContact NE2-OE1 2.91Å; Q114-E118 PolarHBondContact O-N 3.35Å
115L93.5Very high93.1Very high102 Ų102100.8 Ų100.853%0.53452%0.519SS..Hα-helixtrans-59.4-44.2176.8-105.5108000111.8N111 I112 Q117 E118 I119N111-L115 WeakPolarHBondContact O-CB 3.07Å; N111-L115 WeakPolarHBondContact O-CD1 3.31Å; N111-L115 PolarHBondContact O-N 3.01Å; I112-L115 PolarHBondContact O-N 3.45Å; L115-Q117 VanDerWaalsContact C-N 3.28Å; L115-Q117 PolarHBondContact O-N 2.76Å; L115-E118 PolarHBondContact O-N 2.95Å; L115-I119 WeakPolarHBondContact O-CB 3.4Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.14Å
116N94Very high93.1Very high97 Ų97101.9 Ų101.952%0.51952%0.521SS..Hα-helixtrans-62.7-37.8178.6-73.9-22.9000111.8I112 A113 Q114 A120I112-N116 WeakPolarHBondContact O-CB 3.24Å; I112-N116 PolarHBondContact O-N 2.8Å; I112-N116 PolarHBondContact O-ND2 3.4Å; A113-N116 PolarHBondContact O-N 3.23Å; Q114-N116 VanDerWaalsContact C-N 3.34Å; Q114-N116 PolarHBondContact O-N 2.89Å; N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.32Å
117Q93.1Very high93.2Very high138 Ų138100.9 Ų100.965%0.64552%0.521SS*.Hα-helixtrans-66.5-43.5175.2-172178-4.300111.5A113 Q114 L115 A120 V121A113-Q117 PolarHBondContact O-N 3.3Å; A113-Q117 VanDerWaalsContact O-N 3.1Å; Q114-Q117 PolarHBondContact O-N 3.46Å; L115-Q117 VanDerWaalsContact C-N 3.28Å; L115-Q117 PolarHBondContact O-N 2.76Å; Q117-A120 PolarHBondContact O-N 3.43Å; Q117-V121 WeakPolarHBondContact O-CG2 3.33Å; Q117-V121 PolarHBondContact O-N 2.77Å
118E93.5Very high93.3Very high98 Ų98100.2 Ų100.246%0.45852%0.518SS..Hα-helixtrans-63-40.7175.5-75.6-178.6-163.900112.3Q114 L115 V121 R122Q114-E118 PolarHBondContact NE2-OE1 2.91Å; Q114-E118 PolarHBondContact O-N 3.35Å; L115-E118 PolarHBondContact O-N 2.95Å; E118-V121 PolarHBondContact O-N 3.24Å; E118-R122 WeakPolarHBondContact O-CB 3.45Å; E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-N 3.18Å
119I93.8Very high93.3Very high73 Ų73100.3 Ų100.337%0.37452%0.519SS..Hα-helixtrans-61.8-49175.4-69.3164.5000110.1L115 V121 R122 E123L115-I119 WeakPolarHBondContact O-CB 3.4Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.14Å; I119-V121 VanDerWaalsContact C-N 3.31Å; I119-V121 PolarHBondContact O-N 2.99Å; I119-R122 PolarHBondContact O-N 3.24Å; I119-R122 VanDerWaalsContact O-N 3.1Å; I119-E123 HydrophobicContact CG2-CG 4.29Å; I119-E123 WeakPolarHBondContact O-CG 3.47Å; I119-E123 PolarHBondContact O-N 3.27Å
120A93.7Very high93.4Very high54 Ų5499.7 Ų99.745%0.44652%0.518SS..Hα-helixtrans-61.3-38.4179.700000112.7N116 Q117 K124N116-A120 WeakPolarHBondContact O-CB 3.44Å; N116-A120 PolarHBondContact O-N 3.32Å; Q117-A120 PolarHBondContact O-N 3.43Å; A120-K124 WeakPolarHBondContact O-CB 3.35Å; A120-K124 PolarHBondContact O-N 2.81Å; A120-K124 VanDerWaalsContact O-N 3.11Å
121V92.8Very high93.4Very high94 Ų94100.9 Ų100.957%0.5752%0.52SS*.Hα-helixtrans-66.2-41.9174.4171.40000111.1Q117 E118 I119 K124 A125Q117-V121 WeakPolarHBondContact O-CG2 3.33Å; Q117-V121 PolarHBondContact O-N 2.77Å; E118-V121 PolarHBondContact O-N 3.24Å; I119-V121 VanDerWaalsContact C-N 3.31Å; I119-V121 PolarHBondContact O-N 2.99Å; V121-K124 PolarHBondContact O-N 3.05Å; V121-A125 WeakPolarHBondContact O-CB 3.09Å; V121-A125 PolarHBondContact O-N 3.21Å
122R93.6Very high93.3Very high189 Ų189100.8 Ų100.871%0.71352%0.523SS*.Hα-helixtrans-64.6-45176.9-79.7-173.9-179.6-167.72.8112.5E118 I119 K124 A125 E126E118-R122 WeakPolarHBondContact O-CB 3.45Å; E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-N 3.18Å; I119-R122 PolarHBondContact O-N 3.24Å; I119-R122 VanDerWaalsContact O-N 3.1Å; R122-K124 VanDerWaalsContact C-N 3.31Å; R122-K124 PolarHBondContact O-N 3.17Å; R122-A125 PolarHBondContact O-N 3.09Å; R122-E126 WeakPolarHBondContact O-CB 3.38Å; R122-E126 PolarHBondContact O-N 2.81Å
123E93.6Very high93.4Very high125 Ų125101.5 Ų101.558%0.58452%0.522SS*.Hα-helixtrans-59.9-43.1177.2-74.3179.6168.700111.3I119 E126 A127I119-E123 HydrophobicContact CG2-CG 4.29Å; I119-E123 WeakPolarHBondContact O-CG 3.47Å; I119-E123 PolarHBondContact O-N 3.27Å; E123-E126 PolarHBondContact O-N 2.85Å; E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 3.2Å
124K93.1Very high93.4Very high136 Ų136100.3 Ų100.359%0.59152%0.516SS*.Hα-helixtrans-62.2-46.7175.4-175179.6173.8-173.40111.8A120 V121 R122 E126 A127 E128A120-K124 WeakPolarHBondContact O-CB 3.35Å; A120-K124 PolarHBondContact O-N 2.81Å; A120-K124 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact O-N 3.05Å; R122-K124 VanDerWaalsContact C-N 3.31Å; R122-K124 PolarHBondContact O-N 3.17Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 2.92Å; K124-A127 PolarHBondContact O-N 3.07Å; K124-E128 WeakPolarHBondContact CE-OE1 3.31Å; K124-E128 IonicContact NZ-OE1 3.9Å; K124-E128 WeakPolarHBondContact O-CG 3.3Å; K124-E128 PolarHBondContact O-N 3.35Å
125A92.8Very high93.4Very high52 Ų52100.8 Ų100.843%0.4352%0.518SS..Hα-helixtrans-64.2-36.9178.600000112.3V121 R122 L129V121-A125 WeakPolarHBondContact O-CB 3.09Å; V121-A125 PolarHBondContact O-N 3.21Å; R122-A125 PolarHBondContact O-N 3.09Å; A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 3.04Å
126E93.2Very high93.4Very high114 Ų11499.8 Ų99.853%0.53351%0.513SS..Hα-helixtrans-67.8-40.1176-170.3175.5173.100111.7R122 E123 K124 L129 Q130R122-E126 WeakPolarHBondContact O-CB 3.38Å; R122-E126 PolarHBondContact O-N 2.81Å; E123-E126 PolarHBondContact O-N 2.85Å; K124-E126 VanDerWaalsContact C-N 3.33Å; K124-E126 PolarHBondContact O-N 2.92Å; E126-L129 PolarHBondContact O-N 3.17Å; E126-Q130 WeakPolarHBondContact O-CB 3.47Å; E126-Q130 WeakPolarHBondContact O-CG 3.41Å; E126-Q130 PolarHBondContact O-N 2.9Å
127A93.5Very high93.4Very high56 Ų56102.6 Ų102.646%0.46352%0.521SS..Hα-helixtrans-63.3-46.6174.800000112.2E123 K124 L129 Q130 E131E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 3.2Å; K124-A127 PolarHBondContact O-N 3.07Å; A127-L129 VanDerWaalsContact C-N 3.31Å; A127-L129 PolarHBondContact O-N 2.84Å; A127-Q130 PolarHBondContact O-N 2.75Å; A127-E131 PolarHBondContact O-N 3.11Å
128E93.4Very high93.4Very high99 Ų99100.9 Ų100.946%0.46352%0.515SS..Hα-helixtrans-61.4-39.7175.6-72.8174.6-179.300111.7K124 E131 T132K124-E128 WeakPolarHBondContact CE-OE1 3.31Å; K124-E128 IonicContact NZ-OE1 3.9Å; K124-E128 WeakPolarHBondContact O-CG 3.3Å; K124-E128 PolarHBondContact O-N 3.35Å; E128-E131 PolarHBondContact O-N 2.95Å; E128-T132 WeakPolarHBondContact O-CB 3.45Å; E128-T132 PolarHBondContact O-N 3.37Å; E128-T132 PolarHBondContact O-OG1 3.42Å
129L93.7Very high93.5Very high93 Ų93102.3 Ų102.349%0.48752%0.521SS..Hα-helixtrans-65.2-44176.4-176.763.8000111.5A125 E126 A127 T132 F133A125-L129 WeakPolarHBondContact O-CB 3.26Å; A125-L129 PolarHBondContact O-N 3.04Å; E126-L129 PolarHBondContact O-N 3.17Å; A127-L129 VanDerWaalsContact C-N 3.31Å; A127-L129 PolarHBondContact O-N 2.84Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-F133 HydrophobicContact CD1-CD2 3.82Å; L129-F133 HydrophobicContact CD1-CE2 3.41Å; L129-F133 VanDerWaalsContact CD1-CE2 3.41Å; L129-F133 HydrophobicContact CD1-CZ 4.18Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 HydrophobicContact CG-CD2 3.68Å; L129-F133 HydrophobicContact CG-CE2 3.47Å; L129-F133 VanDerWaalsContact CG-CE2 3.47Å; L129-F133 WeakPolarHBondContact O-CB 3.36Å; L129-F133 WeakPolarHBondContact O-CD2 2.94Å; L129-F133 PolarHBondContact O-N 2.89Å
130Q93Very high93.4Very high124 Ų124102.8 Ų102.858%0.57952%0.524SS*.Hα-helixtrans-62.7-41.2176.5-77179.14.500112.1E126 A127 F133 G134E126-Q130 WeakPolarHBondContact O-CB 3.47Å; E126-Q130 WeakPolarHBondContact O-CG 3.41Å; E126-Q130 PolarHBondContact O-N 2.9Å; A127-Q130 PolarHBondContact O-N 2.75Å; Q130-F133 PolarHBondContact O-N 2.61Å; Q130-G134 PolarHBondContact O-N 2.8Å
131E92.9Very high93.5Very high125 Ų125106 Ų10658%0.58453%0.528SS*.Hα-helixtrans-62.5-47.5175.3-173.3177.8-172.100111.3A127 E128 F133 G134 Q135A127-E131 PolarHBondContact O-N 3.11Å; E128-E131 PolarHBondContact O-N 2.95Å; E131-F133 PolarHBondContact O-N 2.9Å; E131-G134 WeakPolarHBondContact O-CA 3.28Å; E131-G134 PolarHBondContact O-N 3.44Å; E131-Q135 PolarHBondContact O-N 3.5Å
132T92.8Very high93.5Very high84 Ų84107 Ų10752%0.51553%0.526SS..Hα-helixtrans-61.7-42.8178.2-53.60000111.5E128 L129 G134 Q135 L136E128-T132 WeakPolarHBondContact O-CB 3.45Å; E128-T132 PolarHBondContact O-N 3.37Å; E128-T132 PolarHBondContact O-OG1 3.42Å; L129-T132 PolarHBondContact O-N 2.91Å; T132-G134 VanDerWaalsContact C-N 3.28Å; T132-G134 PolarHBondContact O-N 3.47Å; T132-Q135 PolarHBondContact O-N 3.05Å; T132-L136 WeakPolarHBondContact O-CB 3.49Å; T132-L136 PolarHBondContact O-N 2.92Å
133F94.2Very high93.5Very high112 Ų112107.5 Ų107.549%0.49153%0.528SS..Hα-helixtrans-63.1-35.4173.8-85.4-58.6000112.5L129 Q130 E131 K137L129-F133 HydrophobicContact CD1-CD2 3.82Å; L129-F133 HydrophobicContact CD1-CE2 3.41Å; L129-F133 VanDerWaalsContact CD1-CE2 3.41Å; L129-F133 HydrophobicContact CD1-CZ 4.18Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 HydrophobicContact CG-CD2 3.68Å; L129-F133 HydrophobicContact CG-CE2 3.47Å; L129-F133 VanDerWaalsContact CG-CE2 3.47Å; L129-F133 WeakPolarHBondContact O-CB 3.36Å; L129-F133 WeakPolarHBondContact O-CD2 2.94Å; L129-F133 PolarHBondContact O-N 2.89Å; Q130-F133 PolarHBondContact O-N 2.61Å; E131-F133 PolarHBondContact O-N 2.9Å; F133-K137 WeakPolarHBondContact O-CG 3.36Å; F133-K137 PolarHBondContact O-N 3.06Å; F133-K137 VanDerWaalsContact O-N 3.16Å
134G93.3Very high93.5Very high34 Ų34107.1 Ų107.135%0.35153%0.526SS..Hα-helixtrans-60.9-49.5173.300000112.1Q130 E131 T132 K137 I138Q130-G134 PolarHBondContact O-N 2.8Å; E131-G134 WeakPolarHBondContact O-CA 3.28Å; E131-G134 PolarHBondContact O-N 3.44Å; T132-G134 VanDerWaalsContact C-N 3.28Å; T132-G134 PolarHBondContact O-N 3.47Å; G134-K137 PolarHBondContact O-N 2.93Å; G134-I138 WeakPolarHBondContact O-CG1 3.03Å; G134-I138 PolarHBondContact O-N 2.86Å
135Q94.1Very high93.6Very high117 Ų117105.5 Ų105.555%0.54752%0.521SS..Hα-helixtrans-64.4-45.1178.8-67.7-179.74.800112.2E131 T132 K137 I138 E139E131-Q135 PolarHBondContact O-N 3.5Å; T132-Q135 PolarHBondContact O-N 3.05Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 3.24Å; Q135-I138 WeakPolarHBondContact O-CB 3.43Å; Q135-I138 PolarHBondContact O-N 2.79Å; Q135-E139 PolarHBondContact O-N 2.64Å
136L93.5Very high93.6Very high82 Ų82107.3 Ų107.343%0.42953%0.526SS..Hα-helixtrans-61.9-36.5179.9-173.766.6000112.2T132 I138 E139 I140T132-L136 WeakPolarHBondContact O-CB 3.49Å; T132-L136 PolarHBondContact O-N 2.92Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 3.38Å; L136-E139 PolarHBondContact O-N 3.41Å; L136-I140 HydrophobicContact CD1-CD1 4.4Å; L136-I140 HydrophobicContact CD2-CD1 4.49Å; L136-I140 HydrophobicContact CG-CD1 3.96Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CB 3.33Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 3.04Å
137K93.7Very high93.7Very high156 Ų156106.2 Ų106.268%0.67852%0.522SS*.Hα-helixtrans-63.5-37.8174.7-80177.7-178.9177.90112.5F133 G134 Q135 K141F133-K137 WeakPolarHBondContact O-CG 3.36Å; F133-K137 PolarHBondContact O-N 3.06Å; F133-K137 VanDerWaalsContact O-N 3.16Å; G134-K137 PolarHBondContact O-N 2.93Å; Q135-K137 VanDerWaalsContact C-N 3.29Å; Q135-K137 PolarHBondContact O-N 3.24Å; K137-K141 WeakPolarHBondContact O-CB 3.3Å; K137-K141 PolarHBondContact O-N 3.46Å; K137-K141 VanDerWaalsContact O-N 3.17Å
138I93.9Very high93.7Very high102 Ų102107.8 Ų107.852%0.52352%0.521SS..Hα-helixtrans-67-48.7177-64.5167.2000109.4G134 Q135 L136 I140 K141 E142G134-I138 WeakPolarHBondContact O-CG1 3.03Å; G134-I138 PolarHBondContact O-N 2.86Å; Q135-I138 WeakPolarHBondContact O-CB 3.43Å; Q135-I138 PolarHBondContact O-N 2.79Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 3.38Å; I138-I140 PolarHBondContact O-N 2.82Å; I138-K141 PolarHBondContact O-N 2.84Å; I138-E142 HydrophobicContact CG2-CG 4.44Å; I138-E142 WeakPolarHBondContact O-CG 3.37Å; I138-E142 PolarHBondContact O-N 3.3Å
139E94.1Very high93.7Very high128 Ų128109 Ų10960%0.59853%0.527SS*.Hα-helixtrans-61.5-42.5-179.9-169.6-176.6175.900112.6Q135 L136 K141 E142 R143Q135-E139 PolarHBondContact O-N 2.64Å; L136-E139 PolarHBondContact O-N 3.41Å; E139-K141 VanDerWaalsContact C-N 3.34Å; E139-K141 PolarHBondContact O-N 3.25Å; E139-E142 PolarHBondContact O-N 3.28Å; E139-R143 WeakPolarHBondContact O-CB 3.21Å; E139-R143 PolarHBondContact O-N 2.95Å
140I93.5Very high93.7Very high82 Ų82109.4 Ų109.442%0.42153%0.529SS..Hα-helixtrans-61-45.4175.5-71.8169.9000110.5L136 I138 R143 E144L136-I140 HydrophobicContact CD1-CD1 4.4Å; L136-I140 HydrophobicContact CD2-CD1 4.49Å; L136-I140 HydrophobicContact CG-CD1 3.96Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CB 3.33Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 3.48Å; L136-I140 PolarHBondContact O-N 3.04Å; I138-I140 PolarHBondContact O-N 2.82Å; I140-R143 PolarHBondContact O-N 3.37Å; I140-E144 HydrophobicContact CG2-CG 4.43Å; I140-E144 WeakPolarHBondContact O-CG 3.11Å; I140-E144 PolarHBondContact O-N 2.9Å
141K94.5Very high93.7Very high123 Ų123108.8 Ų108.854%0.53553%0.526SS..Hα-helixtrans-63.2-45.5-179.9-170.7-171.9179-144.10111.8K137 I138 E139 R143 E144 E145K137-K141 WeakPolarHBondContact O-CB 3.3Å; K137-K141 PolarHBondContact O-N 3.46Å; K137-K141 VanDerWaalsContact O-N 3.17Å; I138-K141 PolarHBondContact O-N 2.84Å; E139-K141 VanDerWaalsContact C-N 3.34Å; E139-K141 PolarHBondContact O-N 3.25Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.03Å; K141-E144 PolarHBondContact O-N 3.4Å; K141-E145 WeakPolarHBondContact CE-OE1 3.3Å; K141-E145 IonicContact NZ-OE1 3.34Å; K141-E145 PolarHBondContact NZ-OE1 2.95Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.97Å
142E93.5Very high93.7Very high115 Ų115109.1 Ų109.154%0.53753%0.527SS..Hα-helixtrans-61.4-40176.8-73.2178.9176.500111.8I138 E139 E145 T146I138-E142 HydrophobicContact CG2-CG 4.44Å; I138-E142 WeakPolarHBondContact O-CG 3.37Å; I138-E142 PolarHBondContact O-N 3.3Å; E139-E142 PolarHBondContact O-N 3.28Å; E142-E145 PolarHBondContact O-N 2.88Å; E142-T146 WeakPolarHBondContact O-CB 3.45Å; E142-T146 PolarHBondContact O-N 3.14Å; E142-T146 PolarHBondContact O-OG1 3.41Å
143R94.1Very high93.7Very high199 Ų199110.4 Ų110.475%0.75153%0.528SS*.Hα-helixtrans-66.9-41.1176.6-172.3177.7178.1-179.8-0.5112.2E139 I140 K141 Q147E139-R143 WeakPolarHBondContact O-CB 3.21Å; E139-R143 PolarHBondContact O-N 2.95Å; I140-R143 PolarHBondContact O-N 3.37Å; K141-R143 VanDerWaalsContact C-N 3.3Å; K141-R143 PolarHBondContact O-N 3.03Å; R143-Q147 VanDerWaalsContact O-CB 3.31Å; R143-Q147 WeakPolarHBondContact O-CB 3.07Å; R143-Q147 PolarHBondContact O-N 3.49Å
144E93.9Very high93.5Very high116 Ų116108.7 Ų108.754%0.54253%0.53SS..Hα-helixtrans-62.6-47174.4-76177.5177.600111.6I140 K141 T146 Q147 I148I140-E144 HydrophobicContact CG2-CG 4.43Å; I140-E144 WeakPolarHBondContact O-CG 3.11Å; I140-E144 PolarHBondContact O-N 2.9Å; K141-E144 PolarHBondContact O-N 3.4Å; E144-T146 PolarHBondContact O-N 2.91Å; E144-Q147 PolarHBondContact O-N 2.95Å; E144-I148 VanDerWaalsContact O-CG1 3.32Å; E144-I148 WeakPolarHBondContact O-CG1 3.45Å; E144-I148 PolarHBondContact O-N 2.91Å
145E94.1Very high93.4Very high102 Ų102110.5 Ų110.548%0.47754%0.537SS..Hα-helixtrans-60.7-44.6176.8-73.5177.1-17700111.5K141 E142 Q147 I148 Q149K141-E145 WeakPolarHBondContact CE-OE1 3.3Å; K141-E145 IonicContact NZ-OE1 3.34Å; K141-E145 PolarHBondContact NZ-OE1 2.95Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.97Å; E142-E145 PolarHBondContact O-N 2.88Å; E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 3.39Å; E145-I148 PolarHBondContact O-N 3.43Å; E145-Q149 WeakPolarHBondContact O-CB 3.46Å; E145-Q149 PolarHBondContact O-N 3.03Å
146T93.8Very high93.4Very high90 Ų90111.8 Ų111.855%0.55254%0.541SS*.Hα-helixtrans-63-40.3176.8-55.90000111.8E142 E144 Q149 L150E142-T146 WeakPolarHBondContact O-CB 3.45Å; E142-T146 PolarHBondContact O-N 3.14Å; E142-T146 PolarHBondContact O-OG1 3.41Å; E144-T146 PolarHBondContact O-N 2.91Å; T146-Q149 PolarHBondContact O-N 3.49Å; T146-L150 WeakPolarHBondContact O-CB 3.33Å; T146-L150 PolarHBondContact O-N 3.08Å
147Q94.1Very high93.2Very high92 Ų92112.4 Ų112.443%0.4354%0.544SS..Hα-helixtrans-65.3-46177.4-178.862.338.400111.5R143 E144 E145 Q149 L150 E151R143-Q147 VanDerWaalsContact O-CB 3.31Å; R143-Q147 WeakPolarHBondContact O-CB 3.07Å; R143-Q147 PolarHBondContact O-N 3.49Å; E144-Q147 PolarHBondContact O-N 2.95Å; E145-Q147 VanDerWaalsContact C-N 3.34Å; E145-Q147 PolarHBondContact O-N 3.39Å; Q147-Q149 VanDerWaalsContact C-N 3.33Å; Q147-Q149 PolarHBondContact O-N 3.11Å; Q147-L150 PolarHBondContact O-N 2.57Å; Q147-E151 PolarHBondContact NE2-OE1 2.98Å; Q147-E151 WeakPolarHBondContact O-CG 3.42Å; Q147-E151 PolarHBondContact O-N 3.24Å
148I93.6Very high93Very high88 Ų88108 Ų10845%0.45152%0.523SS..Hα-helixtrans-61.1-44.3176.6-68.8166.3000110.4E144 E145 L150 E151 Q152E144-I148 VanDerWaalsContact O-CG1 3.32Å; E144-I148 WeakPolarHBondContact O-CG1 3.45Å; E144-I148 PolarHBondContact O-N 2.91Å; E145-I148 PolarHBondContact O-N 3.43Å; I148-L150 VanDerWaalsContact C-N 3.34Å; I148-L150 PolarHBondContact O-N 3.26Å; I148-E151 PolarHBondContact O-N 2.69Å; I148-Q152 HydrophobicContact CG2-CG 4.35Å; I148-Q152 WeakPolarHBondContact O-CB 3.03Å; I148-Q152 VanDerWaalsContact O-CG 3.3Å; I148-Q152 WeakPolarHBondContact O-CG 3.24Å; I148-Q152 PolarHBondContact O-N 2.68Å
149Q93.8Very high92.9Very high124 Ų124106.5 Ų106.558%0.57952%0.522SS*.Hα-helixtrans-62.9-41.4178.4-173.4176.32.800111.7E145 T146 Q147 Q152 Q153E145-Q149 WeakPolarHBondContact O-CB 3.46Å; E145-Q149 PolarHBondContact O-N 3.03Å; T146-Q149 PolarHBondContact O-N 3.49Å; Q147-Q149 VanDerWaalsContact C-N 3.33Å; Q147-Q149 PolarHBondContact O-N 3.11Å; Q149-Q152 PolarHBondContact O-N 3.31Å; Q149-Q153 VanDerWaalsContact O-CB 3.3Å; Q149-Q153 WeakPolarHBondContact O-CB 3.35Å; Q149-Q153 PolarHBondContact O-N 3.2Å
150L93.5Very high92.9Very high102 Ų102107.4 Ų107.453%0.53452%0.524SS..Hα-helixtrans-64.4-42.7176.7-176.264.4000111.8T146 Q147 I148 Q153 S154T146-L150 WeakPolarHBondContact O-CB 3.33Å; T146-L150 PolarHBondContact O-N 3.08Å; Q147-L150 PolarHBondContact O-N 2.57Å; I148-L150 VanDerWaalsContact C-N 3.34Å; I148-L150 PolarHBondContact O-N 3.26Å; L150-Q153 PolarHBondContact O-N 2.79Å; L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.29Å; L150-S154 PolarHBondContact O-N 2.73Å
151E92.1Very high92.8Very high111 Ų111105.4 Ų105.452%0.51951%0.514SS..Hα-helixtrans-64-44.7175.9-76.2175.3-168.400112.1Q147 I148 S154 S155Q147-E151 PolarHBondContact NE2-OE1 2.98Å; Q147-E151 WeakPolarHBondContact O-CG 3.42Å; Q147-E151 PolarHBondContact O-N 3.24Å; I148-E151 PolarHBondContact O-N 2.69Å; E151-S154 PolarHBondContact O-N 2.76Å; E151-S155 VanDerWaalsContact O-CB 3.3Å; E151-S155 WeakPolarHBondContact O-CB 3.46Å; E151-S155 PolarHBondContact O-N 3.43Å
152Q93.3Very high92.8Very high132 Ų132102.1 Ų102.162%0.61750%0.502SS*.Hα-helixtrans-61.7-45.3175.7-74.8179.3200111.6I148 Q149 S155 F156I148-Q152 HydrophobicContact CG2-CG 4.35Å; I148-Q152 WeakPolarHBondContact O-CB 3.03Å; I148-Q152 VanDerWaalsContact O-CG 3.3Å; I148-Q152 WeakPolarHBondContact O-CG 3.24Å; I148-Q152 PolarHBondContact O-N 2.68Å; Q149-Q152 PolarHBondContact O-N 3.31Å; Q152-S155 PolarHBondContact O-N 3.02Å; Q152-F156 VanDerWaalsContact O-CB 3.31Å; Q152-F156 WeakPolarHBondContact O-CB 3.15Å; Q152-F156 PolarHBondContact O-N 3.26Å
153Q94Very high92.8Very high111 Ų111100.6 Ų100.652%0.51951%0.51SS..Hα-helixtrans-64.1-42.8178-175.3175.6-14.300111.5Q149 L150 F156 L157Q149-Q153 VanDerWaalsContact O-CB 3.3Å; Q149-Q153 WeakPolarHBondContact O-CB 3.35Å; Q149-Q153 PolarHBondContact O-N 3.2Å; L150-Q153 PolarHBondContact O-N 2.79Å; Q153-F156 PolarHBondContact O-N 2.99Å; Q153-L157 HydrophobicContact CG-CD1 4.29Å; Q153-L157 WeakPolarHBondContact O-CB 3.38Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.4Å; Q153-L157 PolarHBondContact O-N 2.7Å
154S90.3Very high92.8Very high77 Ų7792.8 Ų92.854%0.53849%0.485SS..Hα-helixtrans-61.8-46.3175.8-174.70000111.7L150 E151 F156 L157 R158L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.29Å; L150-S154 PolarHBondContact O-N 2.73Å; E151-S154 PolarHBondContact O-N 2.76Å; S154-F156 PolarHBondContact O-N 3.25Å; S154-L157 PolarHBondContact O-N 2.9Å; S154-R158 WeakPolarHBondContact O-CB 3.01Å; S154-R158 PolarHBondContact O-N 3.17Å
155S91.1Very high92.7Very high71 Ų7192.7 Ų92.750%0.49750%0.495SS..Hα-helixtrans-63.2-40.6176.9-176.90000112.6E151 Q152 R158 S159E151-S155 VanDerWaalsContact O-CB 3.3Å; E151-S155 WeakPolarHBondContact O-CB 3.46Å; E151-S155 PolarHBondContact O-N 3.43Å; Q152-S155 PolarHBondContact O-N 3.02Å; S155-R158 PolarHBondContact O-N 2.46Å; S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 2.86Å; S155-S159 PolarHBondContact O-OG 2.81Å
156F92.4Very high92.8Very high144 Ų14489.5 Ų89.563%0.63248%0.481SS*.Hα-helixtrans-64.7-48.1176.5178.2-102000112Q152 Q153 S154 R158 S159 F160Q152-F156 VanDerWaalsContact O-CB 3.31Å; Q152-F156 WeakPolarHBondContact O-CB 3.15Å; Q152-F156 PolarHBondContact O-N 3.26Å; Q153-F156 PolarHBondContact O-N 2.99Å; S154-F156 PolarHBondContact O-N 3.25Å; F156-R158 VanDerWaalsContact C-N 3.29Å; F156-R158 PolarHBondContact O-N 2.79Å; F156-S159 PolarHBondContact O-N 3.18Å; F156-F160 PolarHBondContact O-N 2.84Å
157L90.6Very high92.9Very high95 Ų9585.3 Ų85.350%0.49746%0.455SS..Hα-helixtrans-59.4-41.7176.2-72.5173.2000111.3Q153 S154 F160 L161Q153-L157 HydrophobicContact CG-CD1 4.29Å; Q153-L157 WeakPolarHBondContact O-CB 3.38Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.4Å; Q153-L157 PolarHBondContact O-N 2.7Å; S154-L157 PolarHBondContact O-N 2.9Å; L157-F160 PolarHBondContact O-N 2.82Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.16Å; L157-L161 VanDerWaalsContact O-N 3.08Å
158R89.3Confident93.1Very high64 Ų6481.1 Ų81.124%0.24244%0.436CS..Hα-helixtrans-60.9-48.2175.3-179.165.2-165.5-171.75111.9S154 S155 F156 F160 L161 D162 C180 E192S154-R158 WeakPolarHBondContact O-CB 3.01Å; S154-R158 PolarHBondContact O-N 3.17Å; S155-R158 PolarHBondContact O-N 2.46Å; F156-R158 VanDerWaalsContact C-N 3.29Å; F156-R158 PolarHBondContact O-N 2.79Å; R158-F160 VanDerWaalsContact C-N 3.27Å; R158-F160 PolarHBondContact O-N 2.82Å; R158-L161 PolarHBondContact O-N 2.89Å; R158-D162 IonicContact CZ-OD1 3.21Å; R158-D162 IonicContact CZ-OD2 2.81Å; R158-D162 IonicContact NE-OD1 3.37Å; R158-D162 PolarHBondContact NE-OD1 2.92Å; R158-D162 IonicContact NE-OD2 3.5Å; R158-D162 PolarHBondContact NE-OD2 2.92Å; R158-D162 IonicContact NH2-OD1 3.82Å; R158-D162 PolarHBondContact NH2-OD1 3.07Å; R158-D162 VanDerWaalsContact NH2-OD1 3.07Å; R158-D162 IonicContact NH2-OD2 2.78Å; R158-D162 PolarHBondContact O-N 3.43Å; R158-C180 VanDerWaalsContact CZ-O 3.31Å; R158-C180 PolarHBondContact NH1-O 3.35Å; R158-C180 PolarHBondContact NH2-O 2.89Å; R158-E192 IonicContact CZ-OE1 3.07Å; R158-E192 IonicContact CZ-OE2 2.92Å; R158-E192 IonicContact NH1-OE1 3.4Å; R158-E192 PolarHBondContact NH1-OE1 2.78Å; R158-E192 IonicContact NH1-OE2 3.72Å; R158-E192 PolarHBondContact NH1-OE2 2.76Å; R158-E192 IonicContact NH2-OE2 3.81Å; R158-E192 PolarHBondContact NH2-OE2 2.69Å
159S92Very high93.2Very high70 Ų7077.2 Ų77.249%0.4942%0.415SS..Hα-helixtrans-60.2-38.4179.1-58.80000111.8S155 F156 D162 A163S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 2.86Å; S155-S159 PolarHBondContact O-OG 2.81Å; F156-S159 PolarHBondContact O-N 3.18Å; S159-D162 PolarHBondContact O-N 3.24Å; S159-A163 VanDerWaalsContact O-CB 3.29Å; S159-A163 WeakPolarHBondContact O-CB 3.3Å; S159-A163 PolarHBondContact O-N 3.21Å
160F93Very high93.2Very high147 Ų14774 Ų7465%0.64540%0.399SS*.Hα-helixtrans-63.9-45.3175.4-177.9-93.5000112.3F156 L157 R158 A163 S164F156-F160 PolarHBondContact O-N 2.84Å; L157-F160 PolarHBondContact O-N 2.82Å; R158-F160 VanDerWaalsContact C-N 3.27Å; R158-F160 PolarHBondContact O-N 2.82Å; F160-A163 PolarHBondContact O-N 3.26Å; F160-S164 PolarHBondContact O-N 3.44Å
161L92Very high93.3Very high40 Ų4069.4 Ų69.421%0.20937%0.374CS..Hα-helixtrans-63.5-43.5176.8-67.9173.3000111.8L157 R158 A163 S164 V168 Y170 N181L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 3.16Å; L157-L161 VanDerWaalsContact O-N 3.08Å; R158-L161 PolarHBondContact O-N 2.89Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.09Å; L161-S164 WeakPolarHBondContact O-CB 3.07Å; L161-S164 PolarHBondContact O-N 3.13Å; L161-V168 HydrophobicContact CD2-CG1 4.14Å; L161-Y170 HydrophobicContact CD1-CE2 4.29Å; L161-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L161-Y170 WeakPolarHBondContact CD2-OH 3.13Å; L161-N181 HydrophobicContact CB-CB 4.19Å; L161-N181 WeakPolarHBondContact O-CB 3.34Å; L161-N181 PolarHBondContact O-ND2 2.81Å
162D94.4Very high93.3Very high55 Ų5565.6 Ų65.629%0.29436%0.357SS..Hα-helixtrans-71.8-24.9-179.1-74.5-25000113.5R158 S159 S164 N181 R182R158-D162 IonicContact CZ-OD1 3.21Å; R158-D162 IonicContact CZ-OD2 2.81Å; R158-D162 IonicContact NE-OD1 3.37Å; R158-D162 PolarHBondContact NE-OD1 2.92Å; R158-D162 IonicContact NE-OD2 3.5Å; R158-D162 PolarHBondContact NE-OD2 2.92Å; R158-D162 IonicContact NH2-OD1 3.82Å; R158-D162 PolarHBondContact NH2-OD1 3.07Å; R158-D162 VanDerWaalsContact NH2-OD1 3.07Å; R158-D162 IonicContact NH2-OD2 2.78Å; R158-D162 PolarHBondContact O-N 3.43Å; S159-D162 PolarHBondContact O-N 3.24Å; D162-S164 VanDerWaalsContact C-N 3.3Å; D162-N181 WeakPolarHBondContact OD1-CA 3.43Å; D162-R182 HydrophobicContact CB-CB 4.07Å; D162-R182 PolarHBondContact OD1-N 2.96Å
163A93.6Very high93Very high83 Ų8363.4 Ų63.469%0.68635%0.347SS*.Hα-helixtrans-75.7-17.417300000113.3S159 F160 L161S159-A163 VanDerWaalsContact O-CB 3.29Å; S159-A163 WeakPolarHBondContact O-CB 3.3Å; S159-A163 PolarHBondContact O-N 3.21Å; F160-A163 PolarHBondContact O-N 3.26Å; L161-A163 VanDerWaalsContact C-N 3.33Å; L161-A163 PolarHBondContact O-N 3.09Å
164S93.3Very high92.9Very high34 Ų3463.3 Ų63.324%0.23835%0.35CS..  trans-69.8128.9177.8175.60000111.2F160 L161 D162 D166 N181F160-S164 PolarHBondContact O-N 3.44Å; L161-S164 WeakPolarHBondContact O-CB 3.07Å; L161-S164 PolarHBondContact O-N 3.13Å; D162-S164 VanDerWaalsContact C-N 3.3Å; S164-D166 VanDerWaalsContact C-N 3.29Å; S164-D166 PolarHBondContact OG-N 2.82Å; S164-D166 PolarHBondContact OG-O 3.44Å; S164-N181 PolarHBondContact O-ND2 3.1Å
165P91.5Very high92.9Very high115 Ų11562.9 Ų62.975%0.74734%0.339SS*.SBendtrans-73.6-22.817331.1-34.8000112.5
166D96.6Very high93.1Very high34 Ų3461.5 Ų61.518%0.18232%0.324CS..SBendtrans-71.4142.6175.4-68.5-16.2000109.5S164 V168 N181 G263 R264S164-D166 VanDerWaalsContact C-N 3.29Å; S164-D166 PolarHBondContact OG-N 2.82Å; S164-D166 PolarHBondContact OG-O 3.44Å; D166-V168 PolarHBondContact O-N 3.25Å; D166-N181 PolarHBondContact O-ND2 3.28Å; D166-G263 CarbonylContact C-O 3.53Å; D166-G263 WeakPolarHBondContact CA-O 3.33Å; D166-R264 WeakPolarHBondContact OD1-CA 3.35Å; D166-R264 IonicContact OD1-NE 2.87Å; D166-R264 PolarHBondContact OD1-NE 2.89Å; D166-R264 IonicContact OD2-CZ 3.56Å; D166-R264 IonicContact OD2-NE 3.7Å; D166-R264 PolarHBondContact OD2-NE 3.45Å; D166-R264 IonicContact OD2-NH2 3.54Å; D166-R264 PolarHBondContact OD2-NH2 2.87Å
167L97.3Very high93.2Very high3 Ų354.7 Ų54.72%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-61.2129.9171.4-52174.4000108.8A183 L187 L232 F242 F262 G263L167-A183 HydrophobicContact CD2-CB 4.03Å; L167-L187 HydrophobicContact CD1-CD2 3.51Å; L167-L187 HydrophobicContact CD2-CB 4.07Å; L167-L187 HydrophobicContact CD2-CD2 3.92Å; L167-L187 HydrophobicContact CG-CD2 4.38Å; L167-L232 HydrophobicContact CD1-CD1 4.43Å; L167-F242 HydrophobicContact CD1-CD1 3.51Å; L167-F242 HydrophobicContact CD1-CD2 4.21Å; L167-F242 HydrophobicContact CD1-CE1 3.57Å; L167-F242 HydrophobicContact CD1-CE2 4.24Å; L167-F242 HydrophobicContact CD1-CG 3.85Å; L167-F242 HydrophobicContact CD1-CZ 3.95Å; L167-F242 HydrophobicContact CD2-CE1 4.13Å; L167-F242 HydrophobicContact CD2-CZ 4.38Å; L167-F242 HydrophobicContact CG-CD1 3.94Å; L167-F242 HydrophobicContact CG-CE1 3.71Å; L167-F242 HydrophobicContact CG-CZ 4.32Å; L167-F262 CarbonylContact O-C 3.57Å; L167-F262 WeakPolarHBondContact O-CA 3.43Å; L167-G263 PolarHBondContact N-O 2.86Å; L167-G263 PolarHBondContact O-N 3.09Å
168V97.2Very high93.4Very high4 Ų453 Ų532%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-128.2127.3171.5-172.90000108.9L161 D166 Y170 C180 N181 G261 F262L161-V168 HydrophobicContact CD2-CG1 4.14Å; D166-V168 PolarHBondContact O-N 3.25Å; V168-Y170 HydrophobicContact CG1-CE2 4.1Å; V168-C180 CarbonylContact O-C 3.59Å; V168-C180 WeakPolarHBondContact O-CA 3.33Å; V168-C180 WeakPolarHBondContact O-CB 3.47Å; V168-N181 HydrophobicContact CB-CB 4.11Å; V168-N181 PolarHBondContact N-OD1 3.43Å; V168-N181 PolarHBondContact O-N 3.36Å; V168-N181 PolarHBondContact O-OD1 3.22Å; V168-G261 WeakPolarHBondContact CA-O 3.37Å; V168-F262 HydrophobicContact CG1-CD1 4.4Å; V168-F262 HydrophobicContact CG1-CE1 4.23Å; V168-F262 HydrophobicContact CG2-CD1 4.18Å
169F95.5Very high93.6Very high5 Ų550.2 Ų50.22%0.02228%0.282CS..EExtended strand (participates in β ladder)trans-144.3155.1177.664-91.9000112.1R171 F177 G179 C180 M184 L259 G261F169-R171 HydrophobicContact CD2-CG 4.32Å; F169-F177 HydrophobicContact CB-CD1 4.17Å; F169-F177 HydrophobicContact CB-CE1 3.94Å; F169-F177 HydrophobicContact CD2-CE1 4.03Å; F169-F177 HydrophobicContact CG-CE1 4.09Å; F169-G179 WeakPolarHBondContact CA-O 3.16Å; F169-C180 HydrophobicContact CB-CB 4.08Å; F169-M184 HydrophobicContact CB-CG 4.39Å; F169-L259 HydrophobicContact CE2-CD1 4.13Å; F169-G261 PolarHBondContact N-O 3.4Å; F169-G261 PolarHBondContact O-N 3.01Å
170Y94.7Very high93.8Very high57 Ų5746.9 Ų46.922%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-123.8136.7180-52.6-85.4000108.9L161 V168 F177 S178 G179 M260L161-Y170 HydrophobicContact CD1-CE2 4.29Å; L161-Y170 WeakPolarHBondContact CD1-OH 3.43Å; L161-Y170 WeakPolarHBondContact CD2-OH 3.13Å; V168-Y170 HydrophobicContact CG1-CE2 4.1Å; Y170-F177 CarbonylContact O-C 3.58Å; Y170-F177 WeakPolarHBondContact O-CA 3.14Å; Y170-S178 PolarHBondContact O-N 3.4Å; Y170-G179 WeakPolarHBondContact CD2-O 3.33Å; Y170-G179 PolarHBondContact N-O 3.36Å; Y170-M260 HydrophobicContact CD1-CB 4.36Å; Y170-M260 HydrophobicContact CD1-CE 3.96Å; Y170-M260 HydrophobicContact CD1-CG 3.75Å; Y170-M260 HydrophobicContact CD1-SD 4.14Å; Y170-M260 HydrophobicContact CE1-CB 4.44Å; Y170-M260 HydrophobicContact CE1-CE 3.68Å; Y170-M260 HydrophobicContact CE1-CG 3.88Å; Y170-M260 HydrophobicContact CE1-SD 3.68Å
171R94.2Very high93.9Very high5 Ų539.9 Ų39.92%0.01923%0.228CC..EExtended strand (participates in β ladder)trans-123.9141171.7-66.6-178.5-174.8142.56.2111.2F169 E176 F177 D216 G258 L259F169-R171 HydrophobicContact CD2-CG 4.32Å; R171-E176 CarbonylContact C-O 3.56Å; R171-E176 WeakPolarHBondContact CA-O 3.29Å; R171-E176 WeakPolarHBondContact CB-O 3.45Å; R171-F177 HydrophobicContact CG-CD1 4.47Å; R171-D216 VanDerWaalsContact CD-OD2 3.29Å; R171-D216 WeakPolarHBondContact CD-OD2 3.33Å; R171-D216 IonicContact CZ-OD2 3.02Å; R171-D216 IonicContact NE-OD2 3.93Å; R171-D216 IonicContact NH1-OD1 2.76Å; R171-D216 PolarHBondContact NH1-OD1 3.15Å; R171-D216 IonicContact NH1-OD2 3.41Å; R171-D216 PolarHBondContact NH1-OD2 3.41Å; R171-G258 CarbonylContact O-C 3.57Å; R171-G258 WeakPolarHBondContact O-CA 3.18Å; R171-L259 HydrophobicContact CB-CD1 4.15Å; R171-L259 HydrophobicContact CB-CG 4.19Å; R171-L259 HydrophobicContact CG-CD1 4.38Å; R171-L259 PolarHBondContact N-O 3.46Å; R171-L259 PolarHBondContact O-N 3.18Å
172N92.6Very high94.1Very high31 Ų3144 Ų4417%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-79.6-179.317762.214.1000112D174 K175 E176 S178 H257N172-D174 PolarHBondContact O-N 2.93Å; N172-D174 WeakPolarHBondContact OD1-CA 3.34Å; N172-D174 PolarHBondContact OD1-N 2.74Å; N172-D174 VanDerWaalsContact OD1-N 3.11Å; N172-K175 PolarHBondContact O-N 3.23Å; N172-K175 VanDerWaalsContact O-N 3.09Å; N172-K175 PolarHBondContact OD1-N 3.15Å; N172-K175 VanDerWaalsContact OD1-N 3.17Å; N172-E176 PolarHBondContact N-O 3.45Å; N172-E176 WeakPolarHBondContact OD1-CB 3.3Å; N172-E176 PolarHBondContact OD1-N 2.98Å; N172-E176 PolarHBondContact OD1-O 2.86Å; N172-S178 WeakPolarHBondContact CB-OG 3.25Å; N172-S178 PolarHBondContact N-OG 3.37Å; N172-H257 CarbonylContact C-O 3.51Å
173E88.3Confident94.2Very high86 Ų8642 Ų4240%0.40223%0.232SC..THydrogen-bonded Turntrans-58.7-29.2175.4-61.9-178.6-162.100112.9K175 H257E173-K175 PolarHBondContact O-N 2.99Å; E173-H257 WeakPolarHBondContact CG-O 3.21Å; E173-H257 PolarHBondContact N-O 3.49Å
174D90.8Very high94.3Very high109 Ų10938.1 Ų38.158%0.58320%0.2SC*.THydrogen-bonded Turntrans-81.86.2178-60.7-52000113.9N172 E176N172-D174 PolarHBondContact O-N 2.93Å; N172-D174 WeakPolarHBondContact OD1-CA 3.34Å; N172-D174 PolarHBondContact OD1-N 2.74Å; N172-D174 VanDerWaalsContact OD1-N 3.11Å; D174-E176 HydrophobicContact CB-CG 4.31Å; D174-E176 PolarHBondContact O-N 3.23Å
175K91.1Very high94.4Very high69 Ų6937.8 Ų37.830%0.319%0.194SC..SBendtrans64.721.3-178.7-46.4176.6-178.1173.90113.7N172 E173 P200 E217 F220N172-K175 PolarHBondContact O-N 3.23Å; N172-K175 VanDerWaalsContact O-N 3.09Å; N172-K175 PolarHBondContact OD1-N 3.15Å; N172-K175 VanDerWaalsContact OD1-N 3.17Å; E173-K175 PolarHBondContact O-N 2.99Å; K175-P200 WeakPolarHBondContact O-CD 3.46Å; K175-E217 IonicContact NZ-OE1 2.84Å; K175-E217 PolarHBondContact NZ-OE1 3.44Å; K175-F220 HydrophobicContact CG-CD2 4.39Å; K175-F220 HydrophobicContact CG-CE2 3.91Å
176E94.9Very high94.6Very high42 Ų4236.9 Ų36.920%0.19618%0.183CC..  trans-95.2151.1175.8-59.3173.1175.200110.8R171 N172 D174 S178 H197 L198 K199R171-E176 CarbonylContact C-O 3.56Å; R171-E176 WeakPolarHBondContact CA-O 3.29Å; R171-E176 WeakPolarHBondContact CB-O 3.45Å; N172-E176 PolarHBondContact N-O 3.45Å; N172-E176 WeakPolarHBondContact OD1-CB 3.3Å; N172-E176 PolarHBondContact OD1-N 2.98Å; N172-E176 PolarHBondContact OD1-O 2.86Å; D174-E176 HydrophobicContact CB-CG 4.31Å; D174-E176 PolarHBondContact O-N 3.23Å; E176-S178 PolarHBondContact O-N 2.97Å; E176-H197 IonicContact OE2-ND1 3.9Å; E176-L198 CarbonylContact C-O 3.55Å; E176-L198 VanDerWaalsContact CA-O 3.29Å; E176-L198 WeakPolarHBondContact CA-O 3.35Å; E176-K199 HydrophobicContact CG-CG 3.94Å
177F95.5Very high94.5Very high0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-63.2132.6172.9-73.7-88000110.8F169 Y170 R171 M184 L195 V196 H197 L198 V203 Y204F169-F177 HydrophobicContact CB-CD1 4.17Å; F169-F177 HydrophobicContact CB-CE1 3.94Å; F169-F177 HydrophobicContact CD2-CE1 4.03Å; F169-F177 HydrophobicContact CG-CE1 4.09Å; Y170-F177 CarbonylContact O-C 3.58Å; Y170-F177 WeakPolarHBondContact O-CA 3.14Å; R171-F177 HydrophobicContact CG-CD1 4.47Å; F177-M184 HydrophobicContact CE1-CE 3.77Å; F177-M184 HydrophobicContact CZ-CE 3.81Å; F177-L195 WeakPolarHBondContact CB-O 3.43Å; F177-V196 CarbonylContact O-C 3.54Å; F177-V196 VanDerWaalsContact O-CA 3.28Å; F177-V196 WeakPolarHBondContact O-CA 3.46Å; F177-H197 PolarHBondContact O-N 3.25Å; F177-L198 WeakPolarHBondContact CD2-O 3.16Å; F177-L198 PolarHBondContact N-O 3.17Å; F177-V203 HydrophobicContact CD2-CG2 4.29Å; F177-V203 HydrophobicContact CE2-CB 4.29Å; F177-V203 HydrophobicContact CE2-CG2 3.87Å; F177-Y204 HydrophobicContact CZ-CE2 4.01Å
178S93.8Very high94.3Very high60 Ų6036.3 Ų36.342%0.4218%0.18SC..EExtended strand (participates in β ladder)trans-107.3-18.9173.9-53.50000112.8Y170 N172 E176Y170-S178 PolarHBondContact O-N 3.4Å; N172-S178 WeakPolarHBondContact CB-OG 3.25Å; N172-S178 PolarHBondContact N-OG 3.37Å; E176-S178 PolarHBondContact O-N 2.97Å
179G93.3Very high94.1Very high5 Ų538.6 Ų38.65%0.05221%0.205CC..EExtended strand (participates in β ladder)trans176166.4176.900000111.5F169 Y170 E192F169-G179 WeakPolarHBondContact CA-O 3.16Å; Y170-G179 WeakPolarHBondContact CD2-O 3.33Å; Y170-G179 PolarHBondContact N-O 3.36Å; G179-E192 WeakPolarHBondContact CA-OE1 3.37Å
180C95.4Very high94Very high1 Ų141.5 Ų41.51%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-162.7160.2175.6680000112.3R158 V168 F169 M184 E192 L195R158-C180 VanDerWaalsContact CZ-O 3.31Å; R158-C180 PolarHBondContact NH1-O 3.35Å; R158-C180 PolarHBondContact NH2-O 2.89Å; V168-C180 CarbonylContact O-C 3.59Å; V168-C180 WeakPolarHBondContact O-CA 3.33Å; V168-C180 WeakPolarHBondContact O-CB 3.47Å; F169-C180 HydrophobicContact CB-CB 4.08Å; C180-M184 HydrophobicContact CB-CB 3.71Å; C180-M184 HydrophobicContact CB-CG 3.64Å; C180-E192 PolarHBondContact N-OE1 3.37Å; C180-L195 WeakPolarHBondContact SG-CD1 3.48Å
181N96.2Very high94Very high0 Ų040.8 Ų40.80%022%0.221CC..  trans-83.9173.1174.778.4-22.9000113.2L161 D162 S164 D166 V168 A183 M184 E185L161-N181 HydrophobicContact CB-CB 4.19Å; L161-N181 WeakPolarHBondContact O-CB 3.34Å; L161-N181 PolarHBondContact O-ND2 2.81Å; D162-N181 WeakPolarHBondContact OD1-CA 3.43Å; S164-N181 PolarHBondContact O-ND2 3.1Å; D166-N181 PolarHBondContact O-ND2 3.28Å; V168-N181 HydrophobicContact CB-CB 4.11Å; V168-N181 PolarHBondContact N-OD1 3.43Å; V168-N181 PolarHBondContact O-N 3.36Å; V168-N181 PolarHBondContact O-OD1 3.22Å; N181-A183 VanDerWaalsContact C-N 3.29Å; N181-A183 PolarHBondContact O-N 3.24Å; N181-A183 PolarHBondContact OD1-N 3.46Å; N181-M184 WeakPolarHBondContact O-CB 3.19Å; N181-M184 PolarHBondContact O-N 3.47Å; N181-M184 VanDerWaalsContact O-N 3.12Å; N181-M184 PolarHBondContact OD1-N 2.85Å; N181-E185 PolarHBondContact O-N 2.85Å
182R96.3Very high94Very high125 Ų12542.8 Ų42.847%0.47223%0.231SC..Hα-helixtrans-53.8-38.5178.5-173.656.5174.4171.51.7114.5D162 M184 E185 L186D162-R182 HydrophobicContact CB-CB 4.07Å; D162-R182 PolarHBondContact OD1-N 2.96Å; R182-M184 VanDerWaalsContact C-N 3.29Å; R182-M184 PolarHBondContact O-N 2.89Å; R182-E185 VanDerWaalsContact CD-OE2 3.25Å; R182-E185 WeakPolarHBondContact CD-OE2 3.4Å; R182-E185 IonicContact CZ-OE2 3.46Å; R182-E185 IonicContact NE-OE2 2.8Å; R182-E185 IonicContact NH1-OE2 2.8Å; R182-E185 PolarHBondContact NH1-OE2 2.97Å; R182-E185 WeakPolarHBondContact O-CB 3.38Å; R182-E185 PolarHBondContact O-N 2.98Å; R182-L186 HydrophobicContact CG-CD1 4.48Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.26Å; R182-L186 VanDerWaalsContact O-N 3.08Å
183A96.3Very high94.1Very high15 Ų1550.4 Ų50.412%0.12426%0.263CS..Hα-helixtrans-61.8-39.4179.300000111.9L167 N181 L186 L187L167-A183 HydrophobicContact CD2-CB 4.03Å; N181-A183 VanDerWaalsContact C-N 3.29Å; N181-A183 PolarHBondContact O-N 3.24Å; N181-A183 PolarHBondContact OD1-N 3.46Å; A183-L186 PolarHBondContact O-N 3.44Å; A183-L187 PolarHBondContact O-N 2.88Å; A183-L187 VanDerWaalsContact O-N 3.08Å
184M96.3Very high94.4Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-68.8-35.9175.6-173.860.1-16900112.8F169 F177 C180 N181 R182 L186 L187 T188 Y204F169-M184 HydrophobicContact CB-CG 4.39Å; F177-M184 HydrophobicContact CE1-CE 3.77Å; F177-M184 HydrophobicContact CZ-CE 3.81Å; C180-M184 HydrophobicContact CB-CB 3.71Å; C180-M184 HydrophobicContact CB-CG 3.64Å; N181-M184 WeakPolarHBondContact O-CB 3.19Å; N181-M184 PolarHBondContact O-N 3.47Å; N181-M184 VanDerWaalsContact O-N 3.12Å; N181-M184 PolarHBondContact OD1-N 2.85Å; R182-M184 VanDerWaalsContact C-N 3.29Å; R182-M184 PolarHBondContact O-N 2.89Å; M184-L186 VanDerWaalsContact C-N 3.32Å; M184-L186 PolarHBondContact O-N 3.03Å; M184-L187 PolarHBondContact O-N 3.32Å; M184-L187 HydrophobicContact SD-CD2 4.25Å; M184-T188 HydrophobicContact CE-CG2 3.31Å; M184-T188 WeakPolarHBondContact O-CG2 3.46Å; M184-T188 PolarHBondContact O-N 2.99Å; M184-T188 PolarHBondContact O-OG1 2.97Å; M184-T188 HydrophobicContact SD-CG2 4.16Å; M184-Y204 HydrophobicContact CE-CE1 4.02Å; M184-Y204 WeakPolarHBondContact CE-OH 3.26Å
185E95.8Very high94.6Very high27 Ų2746.8 Ų46.813%0.12624%0.242CC..Hα-helixtrans-62-41.7173.3-60.1-173148.700111.7N181 R182 T188 G189 K190 S191 E192N181-E185 PolarHBondContact O-N 2.85Å; R182-E185 VanDerWaalsContact CD-OE2 3.25Å; R182-E185 WeakPolarHBondContact CD-OE2 3.4Å; R182-E185 IonicContact CZ-OE2 3.46Å; R182-E185 IonicContact NE-OE2 2.8Å; R182-E185 IonicContact NH1-OE2 2.8Å; R182-E185 PolarHBondContact NH1-OE2 2.97Å; R182-E185 WeakPolarHBondContact O-CB 3.38Å; R182-E185 PolarHBondContact O-N 2.98Å; E185-T188 PolarHBondContact O-N 3.28Å; E185-T188 PolarHBondContact O-OG1 2.98Å; E185-G189 WeakPolarHBondContact O-CA 3.41Å; E185-G189 PolarHBondContact O-N 3.48Å; E185-K190 WeakPolarHBondContact CA-O 3.17Å; E185-K190 WeakPolarHBondContact CB-O 3.25Å; E185-K190 PolarHBondContact O-N 3.05Å; E185-S191 WeakPolarHBondContact OE1-CA 3.26Å; E185-E192 WeakPolarHBondContact OE1-CB 3.35Å; E185-E192 PolarHBondContact OE1-N 3Å
186L94.4Very high94.8Very high96 Ų9645.3 Ų45.350%0.50324%0.239SC..Hα-helixtrans-67-38.6178.4-67.8172.6000112.2R182 A183 M184R182-L186 HydrophobicContact CG-CD1 4.48Å; R182-L186 WeakPolarHBondContact O-CG 3.46Å; R182-L186 PolarHBondContact O-N 3.26Å; R182-L186 VanDerWaalsContact O-N 3.08Å; A183-L186 PolarHBondContact O-N 3.44Å; M184-L186 VanDerWaalsContact C-N 3.32Å; M184-L186 PolarHBondContact O-N 3.03Å
187L94.3Very high94.7Very high3 Ų349.5 Ų49.52%0.01626%0.258CS..Hα-helixtrans-66-41.6177.1179.566.3000112.3L167 A183 M184 L232 Y234 P235 F242L167-L187 HydrophobicContact CD1-CD2 3.51Å; L167-L187 HydrophobicContact CD2-CB 4.07Å; L167-L187 HydrophobicContact CD2-CD2 3.92Å; L167-L187 HydrophobicContact CG-CD2 4.38Å; A183-L187 PolarHBondContact O-N 2.88Å; A183-L187 VanDerWaalsContact O-N 3.08Å; M184-L187 PolarHBondContact O-N 3.32Å; M184-L187 HydrophobicContact SD-CD2 4.25Å; L187-L232 HydrophobicContact CD1-CB 4.15Å; L187-L232 HydrophobicContact CD2-CB 4.24Å; L187-L232 HydrophobicContact CD2-CD1 3.7Å; L187-Y234 HydrophobicContact CB-CE1 4.19Å; L187-Y234 HydrophobicContact CD1-CD1 4.05Å; L187-Y234 HydrophobicContact CD1-CD2 3.9Å; L187-Y234 HydrophobicContact CD1-CE1 3.97Å; L187-Y234 HydrophobicContact CD1-CE2 3.84Å; L187-Y234 HydrophobicContact CD1-CG 4.01Å; L187-P235 WeakPolarHBondContact O-CD 3.31Å; L187-F242 HydrophobicContact CD1-CE2 3.95Å; L187-F242 HydrophobicContact CD1-CZ 4.26Å; L187-F242 HydrophobicContact CD2-CE2 4.23Å; L187-F242 HydrophobicContact CD2-CZ 4.47Å
188T93.4Very high94.7Very high22 Ų2251.7 Ų51.714%0.13527%0.27CS..Hα-helixtrans-89.7-17-176.558.30000113.6M184 E185 K190 L195 V203M184-T188 HydrophobicContact CE-CG2 3.31Å; M184-T188 WeakPolarHBondContact O-CG2 3.46Å; M184-T188 PolarHBondContact O-N 2.99Å; M184-T188 PolarHBondContact O-OG1 2.97Å; M184-T188 HydrophobicContact SD-CG2 4.16Å; E185-T188 PolarHBondContact O-N 3.28Å; E185-T188 PolarHBondContact O-OG1 2.98Å; T188-K190 PolarHBondContact O-N 3.36Å; T188-K190 PolarHBondContact OG1-N 3.33Å; T188-K190 PolarHBondContact OG1-O 3.09Å; T188-L195 HydrophobicContact CG2-CD1 4.48Å; T188-L195 HydrophobicContact CG2-CD2 4.2Å; T188-V203 HydrophobicContact CG2-CG1 3.39Å
189G92.5Very high94.7Very high53 Ų5353.6 Ų53.655%0.54627%0.27SS..THydrogen-bonded Turntrans69.310.8-171.400000113.9E185E185-G189 WeakPolarHBondContact O-CA 3.41Å; E185-G189 PolarHBondContact O-N 3.48Å
190K94.2Very high94.7Very high65 Ų6553.5 Ų53.528%0.28327%0.269SS..SBendtrans-117135.9-179.4-65.5-177.3-177.7-175.20109E185 T188 Q194 L195 L198 D202E185-K190 WeakPolarHBondContact CA-O 3.17Å; E185-K190 WeakPolarHBondContact CB-O 3.25Å; E185-K190 PolarHBondContact O-N 3.05Å; T188-K190 PolarHBondContact O-N 3.36Å; T188-K190 PolarHBondContact OG1-N 3.33Å; T188-K190 PolarHBondContact OG1-O 3.09Å; K190-Q194 HydrophobicContact CB-CB 4.21Å; K190-L195 HydrophobicContact CB-CD1 4.37Å; K190-L195 HydrophobicContact CB-CD2 3.87Å; K190-L195 HydrophobicContact CB-CG 3.73Å; K190-L195 HydrophobicContact CD-CD2 3.91Å; K190-L195 HydrophobicContact CG-CD2 4.45Å; K190-L198 HydrophobicContact CD-CD1 4.22Å; K190-D202 PolarHBondContact NZ-O 3.46Å
191S95.2Very high94.6Very high43 Ų4356.5 Ų56.530%0.30129%0.293SS..  trans-64157.1169.562.10000110.6E185 K193 Q194 L195E185-S191 WeakPolarHBondContact OE1-CA 3.26Å; S191-K193 PolarHBondContact O-N 2.91Å; S191-Q194 WeakPolarHBondContact O-CA 3.27Å; S191-Q194 WeakPolarHBondContact O-CB 3.36Å; S191-Q194 PolarHBondContact O-N 3.09Å; S191-Q194 WeakPolarHBondContact OG-CG 3.26Å; S191-Q194 PolarHBondContact OG-OE1 3.3Å; S191-L195 PolarHBondContact O-N 3.01Å
192E94.4Very high94.5Very high46 Ų4660.8 Ų60.822%0.21532%0.317CS..Hα-helixtrans-50.8-45.7176.3175.9179.9-131.700110.9R158 G179 C180 E185 Q194 L195 V196R158-E192 IonicContact CZ-OE1 3.07Å; R158-E192 IonicContact CZ-OE2 2.92Å; R158-E192 IonicContact NH1-OE1 3.4Å; R158-E192 PolarHBondContact NH1-OE1 2.78Å; R158-E192 IonicContact NH1-OE2 3.72Å; R158-E192 PolarHBondContact NH1-OE2 2.76Å; R158-E192 IonicContact NH2-OE2 3.81Å; R158-E192 PolarHBondContact NH2-OE2 2.69Å; G179-E192 WeakPolarHBondContact CA-OE1 3.37Å; C180-E192 PolarHBondContact N-OE1 3.37Å; E185-E192 WeakPolarHBondContact OE1-CB 3.35Å; E185-E192 PolarHBondContact OE1-N 3Å; E192-Q194 PolarHBondContact O-N 3.3Å; E192-Q194 VanDerWaalsContact O-N 3.12Å; E192-L195 PolarHBondContact O-N 3.21Å; E192-V196 HydrophobicContact CG-CG2 4.09Å; E192-V196 VanDerWaalsContact O-CG2 3.28Å; E192-V196 WeakPolarHBondContact O-CG2 3.24Å; E192-V196 PolarHBondContact O-N 3.03Å
193K94.3Very high94.3Very high192 Ų19256.2 Ų56.284%0.83530%0.302SS*.Hα-helixtrans-57.7-29.3178.7-65-175.4-179.4-179.40113.7S191S191-K193 PolarHBondContact O-N 2.91Å
194Q95.2Very high94.1Very high117 Ų11757 Ų5755%0.54730%0.302SS..Hα-helixtrans-87.4-23176.6-67.2167.5-56.700112.7K190 S191 E192 L198K190-Q194 HydrophobicContact CB-CB 4.21Å; S191-Q194 WeakPolarHBondContact O-CA 3.27Å; S191-Q194 WeakPolarHBondContact O-CB 3.36Å; S191-Q194 PolarHBondContact O-N 3.09Å; S191-Q194 WeakPolarHBondContact OG-CG 3.26Å; S191-Q194 PolarHBondContact OG-OE1 3.3Å; E192-Q194 PolarHBondContact O-N 3.3Å; E192-Q194 VanDerWaalsContact O-N 3.12Å; Q194-L198 WeakPolarHBondContact O-CD1 3.5Å
195L94Very high93.9Very high1 Ų159 Ų591%0.00532%0.317CS..Hα-helixtrans-81.3-36.1177.5-75.2168.9000112.2F177 C180 T188 K190 S191 E192 H197 L198 V203F177-L195 WeakPolarHBondContact CB-O 3.43Å; C180-L195 WeakPolarHBondContact SG-CD1 3.48Å; T188-L195 HydrophobicContact CG2-CD1 4.48Å; T188-L195 HydrophobicContact CG2-CD2 4.2Å; K190-L195 HydrophobicContact CB-CD1 4.37Å; K190-L195 HydrophobicContact CB-CD2 3.87Å; K190-L195 HydrophobicContact CB-CG 3.73Å; K190-L195 HydrophobicContact CD-CD2 3.91Å; K190-L195 HydrophobicContact CG-CD2 4.45Å; S191-L195 PolarHBondContact O-N 3.01Å; E192-L195 PolarHBondContact O-N 3.21Å; L195-H197 PolarHBondContact O-N 3.44Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 2.93Å; L195-V203 HydrophobicContact CD2-CB 4.47Å; L195-V203 HydrophobicContact CD2-CG1 3.79Å; L195-V203 HydrophobicContact CD2-CG2 3.73Å
196V94.7Very high93.7Very high39 Ų3963.4 Ų63.424%0.23635%0.347CS..THydrogen-bonded Turntrans-54.7135.9-179.3174.80000110.3F177 E192 L198F177-V196 CarbonylContact O-C 3.54Å; F177-V196 VanDerWaalsContact O-CA 3.28Å; F177-V196 WeakPolarHBondContact O-CA 3.46Å; E192-V196 HydrophobicContact CG-CG2 4.09Å; E192-V196 VanDerWaalsContact O-CG2 3.28Å; E192-V196 WeakPolarHBondContact O-CG2 3.24Å; E192-V196 PolarHBondContact O-N 3.03Å; V196-L198 VanDerWaalsContact C-N 3.26Å; V196-L198 PolarHBondContact O-N 3.36Å
197H93.4Very high93.4Very high130 Ų13067 Ų6760%0.60236%0.362SS*.THydrogen-bonded Turntrans71.2-0.2-172.8-54.1-59.8000116.9E176 F177 L195E176-H197 IonicContact OE2-ND1 3.9Å; F177-H197 PolarHBondContact O-N 3.25Å; L195-H197 PolarHBondContact O-N 3.44Å
198L95.7Very high93.4Very high46 Ų4667.2 Ų67.224%0.24136%0.363CS..  trans-84.9152.6171.4-60.8-173.3000111.6E176 F177 K190 Q194 L195 V196 D202 V203E176-L198 CarbonylContact C-O 3.55Å; E176-L198 VanDerWaalsContact CA-O 3.29Å; E176-L198 WeakPolarHBondContact CA-O 3.35Å; F177-L198 WeakPolarHBondContact CD2-O 3.16Å; F177-L198 PolarHBondContact N-O 3.17Å; K190-L198 HydrophobicContact CD-CD1 4.22Å; Q194-L198 WeakPolarHBondContact O-CD1 3.5Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.44Å; L195-L198 PolarHBondContact O-N 2.93Å; V196-L198 VanDerWaalsContact C-N 3.26Å; V196-L198 PolarHBondContact O-N 3.36Å; L198-D202 HydrophobicContact CB-CB 4.24Å; L198-D202 HydrophobicContact CD2-CB 4.38Å; L198-V203 HydrophobicContact CB-CG2 3.99Å; L198-V203 HydrophobicContact CD1-CG2 4.11Å
199K94.1Very high93.4Very high99 Ų9966.3 Ų66.343%0.4336%0.358SS..  trans-94.2161.5171.9-68.5-177.2179177.90110.7E176 A201 D202E176-K199 HydrophobicContact CG-CG 3.94Å; K199-A201 PolarHBondContact O-N 3.45Å; K199-A201 VanDerWaalsContact O-N 3.1Å; K199-D202 WeakPolarHBondContact CB-OD2 3.43Å; K199-D202 PolarHBondContact N-OD2 2.87Å; K199-D202 PolarHBondContact O-N 3.23Å
200P93.2Very high93.5Very high4 Ų466.6 Ų66.63%0.02636%0.355CS..G310 helixtrans-52.8-33.5176.7-29.636.6000114.2K175 D202 V203 Y204 V212 I213K175-P200 WeakPolarHBondContact O-CD 3.46Å; P200-D202 VanDerWaalsContact C-N 3.26Å; P200-D202 PolarHBondContact O-N 3.18Å; P200-V203 PolarHBondContact O-N 2.93Å; P200-Y204 HydrophobicContact CB-CD2 3.98Å; P200-Y204 HydrophobicContact CB-CE2 4.19Å; P200-Y204 WeakPolarHBondContact O-CD2 3.4Å; P200-Y204 PolarHBondContact O-N 3.25Å; P200-V212 HydrophobicContact CB-CB 4.4Å; P200-V212 HydrophobicContact CB-CG1 3.81Å; P200-V212 HydrophobicContact CG-CG1 3.95Å; P200-I213 HydrophobicContact CB-CG1 4.21Å; P200-I213 HydrophobicContact CG-CG1 4.44Å
201A93.2Very high93.4Very high63 Ų6367.4 Ų67.452%0.52136%0.359SS..G310 helixtrans-66.7-23.2177.500000113.9K199 V203K199-A201 PolarHBondContact O-N 3.45Å; K199-A201 VanDerWaalsContact O-N 3.1Å; A201-V203 VanDerWaalsContact C-N 3.34Å
202D93.3Very high93.4Very high91 Ų9165.4 Ų65.449%0.48735%0.345SS..G310 helixtrans-89.9-3179.1-49.7-51.3000112.7K190 L198 K199 P200K190-D202 PolarHBondContact NZ-O 3.46Å; L198-D202 HydrophobicContact CB-CB 4.24Å; L198-D202 HydrophobicContact CD2-CB 4.38Å; K199-D202 WeakPolarHBondContact CB-OD2 3.43Å; K199-D202 PolarHBondContact N-OD2 2.87Å; K199-D202 PolarHBondContact O-N 3.23Å; P200-D202 VanDerWaalsContact C-N 3.26Å; P200-D202 PolarHBondContact O-N 3.18Å
203V92.7Very high93.4Very high28 Ų2866 Ų6617%0.1735%0.349CS..THydrogen-bonded Turntrans-121.8-46.6-170.6-179.70000111.6F177 T188 L195 L198 P200 A201F177-V203 HydrophobicContact CD2-CG2 4.29Å; F177-V203 HydrophobicContact CE2-CB 4.29Å; F177-V203 HydrophobicContact CE2-CG2 3.87Å; T188-V203 HydrophobicContact CG2-CG1 3.39Å; L195-V203 HydrophobicContact CD2-CB 4.47Å; L195-V203 HydrophobicContact CD2-CG1 3.79Å; L195-V203 HydrophobicContact CD2-CG2 3.73Å; L198-V203 HydrophobicContact CB-CG2 3.99Å; L198-V203 HydrophobicContact CD1-CG2 4.11Å; P200-V203 PolarHBondContact O-N 2.93Å; A201-V203 VanDerWaalsContact C-N 3.34Å
204Y92.9Very high93.4Very high32 Ų3261.4 Ų61.413%0.12533%0.331CS..SBendtrans-100.2164.6-176.1-54.8-67.9000112.4F177 M184 P200 V212 L232F177-Y204 HydrophobicContact CZ-CE2 4.01Å; M184-Y204 HydrophobicContact CE-CE1 4.02Å; M184-Y204 WeakPolarHBondContact CE-OH 3.26Å; P200-Y204 HydrophobicContact CB-CD2 3.98Å; P200-Y204 HydrophobicContact CB-CE2 4.19Å; P200-Y204 WeakPolarHBondContact O-CD2 3.4Å; P200-Y204 PolarHBondContact O-N 3.25Å; Y204-V212 HydrophobicContact CD2-CG2 4.35Å; Y204-V212 HydrophobicContact CE2-CG1 4.22Å; Y204-V212 HydrophobicContact CE2-CG2 4.27Å; Y204-L232 HydrophobicContact CD1-CD2 4.19Å; Y204-L232 HydrophobicContact CE1-CD1 4.49Å; Y204-L232 HydrophobicContact CE1-CD2 4.34Å
205S90.4Very high93.4Very high43 Ų4356.2 Ų56.230%0.30131%0.307SS..  trans-59.3153.2168.760.80000111E207 A208 A209S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 PolarHBondContact O-N 3.12Å; S205-A208 PolarHBondContact O-N 2.77Å; S205-A208 WeakPolarHBondContact OG-CB 3.37Å; S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.02Å
206P91.3Very high93.3Very high118 Ų11856.2 Ų56.277%0.76631%0.307SS*.Hα-helixtrans-54-41.6-174.6-28.635.2000114.1A210P206-A210 WeakPolarHBondContact O-CB 3.47Å; P206-A210 PolarHBondContact O-N 2.63Å
207E89.9Confident93.2Very high173 Ų17358.8 Ų58.881%0.80832%0.316SS*.Hα-helixtrans-65.7-46177.4-172.6-176.4177.200111.6S205 A210 K211S205-E207 VanDerWaalsContact C-N 3.28Å; S205-E207 PolarHBondContact O-N 3.12Å; E207-A210 PolarHBondContact O-N 3.47Å; E207-K211 PolarHBondContact O-N 3.14Å
208A92.7Very high93.2Very high6 Ų656.9 Ų56.95%0.0531%0.306CS..Hα-helixtrans-67.3-41.3179.300000111.8S205 K211 V212 Q230 L232S205-A208 PolarHBondContact O-N 2.77Å; S205-A208 WeakPolarHBondContact OG-CB 3.37Å; A208-K211 PolarHBondContact O-N 3.12Å; A208-V212 VanDerWaalsContact O-CG2 3.23Å; A208-V212 WeakPolarHBondContact O-CG2 3.44Å; A208-V212 PolarHBondContact O-N 3.39Å; A208-Q230 VanDerWaalsContact CA-NE2 3.27Å; A208-Q230 PolarHBondContact O-NE2 3.46Å; A208-L232 HydrophobicContact CB-CD2 3.96Å
209A94.2Very high93Very high4 Ų454.7 Ų54.73%0.03330%0.295CS..Hα-helixtrans-61.1-44.2177.200000111.8S205 K211 V212 I213S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.02Å; A209-K211 PolarHBondContact O-N 2.95Å; A209-V212 PolarHBondContact O-N 3.09Å; A209-V212 VanDerWaalsContact O-N 3.14Å; A209-I213 VanDerWaalsContact O-CG1 3.25Å; A209-I213 WeakPolarHBondContact O-CG1 3.41Å; A209-I213 PolarHBondContact O-N 2.86Å
210A94.3Very high92.9Very high58 Ų5851 Ų5148%0.47928%0.279SS..Hα-helixtrans-56.6-49.3179.100000111.8P206 E207 V212 I213 E214P206-A210 WeakPolarHBondContact O-CB 3.47Å; P206-A210 PolarHBondContact O-N 2.63Å; E207-A210 PolarHBondContact O-N 3.47Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 2.91Å; A210-I213 PolarHBondContact O-N 3.09Å; A210-E214 PolarHBondContact O-N 3.34Å
211K93.1Very high92.7Very high82 Ų8261 Ų6136%0.35732%0.316SS..Hα-helixtrans-64.2-38176.6-176.5169.7177.7178.80112.2E207 A208 A209 T215 Y228 E229 Q230E207-K211 PolarHBondContact O-N 3.14Å; A208-K211 PolarHBondContact O-N 3.12Å; A209-K211 PolarHBondContact O-N 2.95Å; K211-T215 WeakPolarHBondContact O-CB 3.34Å; K211-T215 VanDerWaalsContact O-CG2 3.27Å; K211-T215 WeakPolarHBondContact O-CG2 3.38Å; K211-T215 PolarHBondContact O-N 3.03Å; K211-T215 PolarHBondContact O-OG1 2.93Å; K211-Y228 HydrophobicContact CG-CE2 4.49Å; K211-E229 PolarHBondContact NZ-O 3.23Å; K211-Q230 HydrophobicContact CD-CG 4.33Å
212V94.6Very high92.5Very high2 Ų263.3 Ų63.31%0.01232%0.316CS..Hα-helixtrans-64.7-41.4176.9170.90000111.5P200 Y204 A208 A209 A210 T215 D216 K246P200-V212 HydrophobicContact CB-CB 4.4Å; P200-V212 HydrophobicContact CB-CG1 3.81Å; P200-V212 HydrophobicContact CG-CG1 3.95Å; Y204-V212 HydrophobicContact CD2-CG2 4.35Å; Y204-V212 HydrophobicContact CE2-CG1 4.22Å; Y204-V212 HydrophobicContact CE2-CG2 4.27Å; A208-V212 VanDerWaalsContact O-CG2 3.23Å; A208-V212 WeakPolarHBondContact O-CG2 3.44Å; A208-V212 PolarHBondContact O-N 3.39Å; A209-V212 PolarHBondContact O-N 3.09Å; A209-V212 VanDerWaalsContact O-N 3.14Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-V212 PolarHBondContact O-N 2.91Å; V212-T215 WeakPolarHBondContact CA-OG1 3.22Å; V212-T215 PolarHBondContact O-OG1 3.49Å; V212-D216 WeakPolarHBondContact O-CB 3.29Å; V212-D216 VanDerWaalsContact O-CG 3.3Å; V212-D216 PolarHBondContact O-N 3.29Å; V212-K246 PolarHBondContact O-NZ 2.9Å
213I94.3Very high92.2Very high57 Ų5762.7 Ų62.729%0.29231%0.312SS..Hα-helixtrans-67.1-47.3178.3-68163.6000110.4P200 A209 A210 T215 D216 E217P200-I213 HydrophobicContact CB-CG1 4.21Å; P200-I213 HydrophobicContact CG-CG1 4.44Å; A209-I213 VanDerWaalsContact O-CG1 3.25Å; A209-I213 WeakPolarHBondContact O-CG1 3.41Å; A209-I213 PolarHBondContact O-N 2.86Å; A210-I213 PolarHBondContact O-N 3.09Å; I213-T215 VanDerWaalsContact C-N 3.29Å; I213-T215 PolarHBondContact O-N 3.27Å; I213-D216 WeakPolarHBondContact O-CB 3.3Å; I213-D216 PolarHBondContact O-N 2.87Å; I213-E217 WeakPolarHBondContact O-CG 3.38Å; I213-E217 PolarHBondContact O-N 2.84Å
214E94.5Very high92Very high97 Ų9765.1 Ų65.145%0.45333%0.327SS..Hα-helixtrans-57.2-44.5177.8-171.7-157.4155.700111.5A210 E217 K218A210-E214 PolarHBondContact O-N 3.34Å; E214-E217 PolarHBondContact O-N 3.23Å; E214-K218 WeakPolarHBondContact O-CG 3.29Å; E214-K218 PolarHBondContact O-N 3.15Å; E214-K218 VanDerWaalsContact O-N 3.07Å; E214-K218 VanDerWaalsContact OE1-CE 3.24Å; E214-K218 WeakPolarHBondContact OE1-CE 3.35Å; E214-K218 IonicContact OE1-NZ 3.7Å; E214-K218 PolarHBondContact OE1-NZ 2.85Å
215T94Very high92.1Very high8 Ų866.4 Ų66.45%0.04934%0.341CS..Hα-helixtrans-73-34.4-179.1500000112.6K211 V212 I213 K218 V219 L226 Y228 K246K211-T215 WeakPolarHBondContact O-CB 3.34Å; K211-T215 VanDerWaalsContact O-CG2 3.27Å; K211-T215 WeakPolarHBondContact O-CG2 3.38Å; K211-T215 PolarHBondContact O-N 3.03Å; K211-T215 PolarHBondContact O-OG1 2.93Å; V212-T215 WeakPolarHBondContact CA-OG1 3.22Å; V212-T215 PolarHBondContact O-OG1 3.49Å; I213-T215 VanDerWaalsContact C-N 3.29Å; I213-T215 PolarHBondContact O-N 3.27Å; T215-K218 PolarHBondContact O-N 2.93Å; T215-V219 WeakPolarHBondContact O-CG2 3.18Å; T215-V219 PolarHBondContact O-N 3.25Å; T215-L226 HydrophobicContact CG2-CD2 3.73Å; T215-Y228 HydrophobicContact CG2-CD1 3.94Å; T215-Y228 HydrophobicContact CG2-CD2 4.49Å; T215-Y228 HydrophobicContact CG2-CE1 3.74Å; T215-Y228 HydrophobicContact CG2-CE2 4.31Å; T215-Y228 HydrophobicContact CG2-CG 4.31Å; T215-Y228 PolarHBondContact OG1-OH 2.84Å; T215-K246 PolarHBondContact OG1-NZ 3.24Å
216D93.8Very high92.3Very high1 Ų166.7 Ų66.71%0.00534%0.339CS..Hα-helixtrans-61-46169.7-82.113000111R171 V212 I213 K218 V219 F220 K246 L259R171-D216 VanDerWaalsContact CD-OD2 3.29Å; R171-D216 WeakPolarHBondContact CD-OD2 3.33Å; R171-D216 IonicContact CZ-OD2 3.02Å; R171-D216 IonicContact NE-OD2 3.93Å; R171-D216 IonicContact NH1-OD1 2.76Å; R171-D216 PolarHBondContact NH1-OD1 3.15Å; R171-D216 IonicContact NH1-OD2 3.41Å; R171-D216 PolarHBondContact NH1-OD2 3.41Å; V212-D216 WeakPolarHBondContact O-CB 3.29Å; V212-D216 VanDerWaalsContact O-CG 3.3Å; V212-D216 PolarHBondContact O-N 3.29Å; I213-D216 WeakPolarHBondContact O-CB 3.3Å; I213-D216 PolarHBondContact O-N 2.87Å; D216-K218 VanDerWaalsContact C-N 3.29Å; D216-K218 PolarHBondContact O-N 3.09Å; D216-V219 PolarHBondContact O-N 3.01Å; D216-V219 VanDerWaalsContact O-N 3.13Å; D216-F220 HydrophobicContact CB-CD2 4.13Å; D216-F220 HydrophobicContact CB-CE2 4.12Å; D216-F220 WeakPolarHBondContact O-CB 3.44Å; D216-F220 WeakPolarHBondContact O-CD2 3.28Å; D216-F220 PolarHBondContact O-N 2.96Å; D216-K246 WeakPolarHBondContact OD1-CD 3.45Å; D216-K246 VanDerWaalsContact OD1-CE 3.24Å; D216-K246 WeakPolarHBondContact OD1-CE 3.38Å; D216-K246 IonicContact OD1-NZ 3.65Å; D216-K246 PolarHBondContact OD1-NZ 2.95Å; D216-L259 HydrophobicContact CB-CD2 4.1Å
217E92.4Very high92.6Very high92 Ų9264.6 Ų64.643%0.4332%0.324SS..Hα-helixtrans-61.1-38.8179-75.2-174.4167.800112.3K175 I213 E214 V219 F220 R221K175-E217 IonicContact NZ-OE1 2.84Å; K175-E217 PolarHBondContact NZ-OE1 3.44Å; I213-E217 WeakPolarHBondContact O-CG 3.38Å; I213-E217 PolarHBondContact O-N 2.84Å; E214-E217 PolarHBondContact O-N 3.23Å; E217-V219 PolarHBondContact O-N 2.75Å; E217-F220 PolarHBondContact O-N 3.37Å; E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 2.89Å
218K92.3Very high92.9Very high90 Ų9057.7 Ų57.739%0.39129%0.291SS..Hα-helixtrans-60.1-45.1173.6-73.5176.5-172.9171.40111.8E214 T215 D216 H222 L226E214-K218 WeakPolarHBondContact O-CG 3.29Å; E214-K218 PolarHBondContact O-N 3.15Å; E214-K218 VanDerWaalsContact O-N 3.07Å; E214-K218 VanDerWaalsContact OE1-CE 3.24Å; E214-K218 WeakPolarHBondContact OE1-CE 3.35Å; E214-K218 IonicContact OE1-NZ 3.7Å; E214-K218 PolarHBondContact OE1-NZ 2.85Å; T215-K218 PolarHBondContact O-N 2.93Å; D216-K218 VanDerWaalsContact C-N 3.29Å; D216-K218 PolarHBondContact O-N 3.09Å; K218-H222 WeakPolarHBondContact O-CB 3.3Å; K218-H222 PolarHBondContact O-N 2.78Å; K218-H222 VanDerWaalsContact O-N 3.1Å; K218-H222 PolarHBondContact O-ND1 3.48Å; K218-L226 HydrophobicContact CB-CD2 4.35Å; K218-L226 HydrophobicContact CD-CD2 4.41Å
219V92.9Very high93Very high0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-65.1-46.9178.1173.80000110.7T215 D216 E217 N223 L226 K246 P248 L259T215-V219 WeakPolarHBondContact O-CG2 3.18Å; T215-V219 PolarHBondContact O-N 3.25Å; D216-V219 PolarHBondContact O-N 3.01Å; D216-V219 VanDerWaalsContact O-N 3.13Å; E217-V219 PolarHBondContact O-N 2.75Å; V219-N223 VanDerWaalsContact O-CA 3.23Å; V219-N223 WeakPolarHBondContact O-CA 3.38Å; V219-N223 PolarHBondContact O-N 3.08Å; V219-L226 HydrophobicContact CG2-CB 3.83Å; V219-K246 HydrophobicContact CG2-CB 3.79Å; V219-K246 HydrophobicContact CG2-CD 4.47Å; V219-P248 HydrophobicContact CG1-CB 4.39Å; V219-L259 HydrophobicContact CB-CD2 4.44Å; V219-L259 HydrophobicContact CG1-CB 4.28Å; V219-L259 HydrophobicContact CG1-CD2 4.28Å
220F90.7Very high93Very high23 Ų2360.7 Ų60.710%0.10130%0.303CS..Hα-helixtrans-67.5-36.1-179.8-76.6-58.7000113.3K175 D216 E217 R256 L259K175-F220 HydrophobicContact CG-CD2 4.39Å; K175-F220 HydrophobicContact CG-CE2 3.91Å; D216-F220 HydrophobicContact CB-CD2 4.13Å; D216-F220 HydrophobicContact CB-CE2 4.12Å; D216-F220 WeakPolarHBondContact O-CB 3.44Å; D216-F220 WeakPolarHBondContact O-CD2 3.28Å; D216-F220 PolarHBondContact O-N 2.96Å; E217-F220 PolarHBondContact O-N 3.37Å; F220-R256 PolarHBondContact O-NH1 3.31Å; F220-L259 HydrophobicContact CD2-CD2 4.03Å; F220-L259 HydrophobicContact CE1-CD2 4.27Å; F220-L259 HydrophobicContact CE1-CG 4.49Å; F220-L259 HydrophobicContact CE2-CD2 3.43Å; F220-L259 VanDerWaalsContact CE2-CD2 3.43Å; F220-L259 HydrophobicContact CE2-CG 4.22Å; F220-L259 HydrophobicContact CZ-CB 4.37Å; F220-L259 HydrophobicContact CZ-CD2 3.59Å; F220-L259 HydrophobicContact CZ-CG 3.88Å
221R88.5Confident92.9Very high213 Ų21363.1 Ų63.180%0.80430%0.3SS*.Hα-helixtrans-77.9-38.8-176.8-172.2174-176.3175.70112.4E217E217-R221 WeakPolarHBondContact O-CB 3.32Å; E217-R221 PolarHBondContact O-N 2.89Å
222H89.2Confident93Very high111 Ų11159.3 Ų59.351%0.51428%0.283SS..Hα-helixtrans-102.9-9.6-174.5-54.793.5000113.3K218 V224K218-H222 WeakPolarHBondContact O-CB 3.3Å; K218-H222 PolarHBondContact O-N 2.78Å; K218-H222 VanDerWaalsContact O-N 3.1Å; K218-H222 PolarHBondContact O-ND1 3.48Å; H222-V224 HydrophobicContact CB-CG1 4.29Å; H222-V224 HydrophobicContact CB-CG2 3.9Å; H222-V224 PolarHBondContact O-N 2.87Å
223N86.7Confident92.9Very high78 Ų7862 Ų6242%0.41730%0.298SS..  trans5439-174.8-70.5-32.5000112.9V219 Y250 R256V219-N223 VanDerWaalsContact O-CA 3.23Å; V219-N223 WeakPolarHBondContact O-CA 3.38Å; V219-N223 PolarHBondContact O-N 3.08Å; N223-Y250 WeakPolarHBondContact CB-OH 3.48Å; N223-R256 PolarHBondContact OD1-NH1 3.06Å
224V90.2Very high92.8Very high79 Ų7961.9 Ų61.948%0.47929%0.294SS..  trans-118153178-60.90000111H222H222-V224 HydrophobicContact CB-CG1 4.29Å; H222-V224 HydrophobicContact CB-CG2 3.9Å; H222-V224 PolarHBondContact O-N 2.87Å
225S93.4Very high92.6Very high60 Ų6061.5 Ų61.542%0.4230%0.3SS..  trans-73.1145.2168.963.20000111.1K246S225-K246 CarbonylContact C-O 3.48Å; S225-K246 WeakPolarHBondContact CA-O 3.37Å; S225-K246 WeakPolarHBondContact CB-O 3.48Å
226L94.8Very high92.3Very high48 Ų4865.7 Ų65.725%0.25132%0.322SS..EExtended strand (participates in β ladder)trans-131134.8178.5-178.467.9000109.9T215 K218 V219 Y228 R245 K246T215-L226 HydrophobicContact CG2-CD2 3.73Å; K218-L226 HydrophobicContact CB-CD2 4.35Å; K218-L226 HydrophobicContact CD-CD2 4.41Å; V219-L226 HydrophobicContact CG2-CB 3.83Å; L226-Y228 HydrophobicContact CD2-CD1 4.19Å; L226-Y228 HydrophobicContact CG-CD1 4.18Å; L226-R245 CarbonylContact O-C 3.57Å; L226-R245 WeakPolarHBondContact O-CA 3.28Å; L226-K246 PolarHBondContact N-O 3.47Å; L226-K246 PolarHBondContact O-N 3.31Å
227T97.1Very high92Very high74 Ų7468.4 Ų68.445%0.45435%0.35SS..EExtended strand (participates in β ladder)trans-121133.5174.9-53.50000109.6E243 I244 R245T227-E243 HydrophobicContact CG2-CG 3.98Å; T227-I244 CarbonylContact C-O 3.53Å; T227-I244 VanDerWaalsContact CA-O 3.26Å; T227-I244 WeakPolarHBondContact CA-O 3.41Å; T227-R245 HydrophobicContact CG2-CB 4.46Å
228Y96.2Very high91.8Very high28 Ų2871.8 Ų71.811%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-156.9155.5-179.765.2-85.3000112.1K211 T215 L226 Q230 I244 K246K211-Y228 HydrophobicContact CG-CE2 4.49Å; T215-Y228 HydrophobicContact CG2-CD1 3.94Å; T215-Y228 HydrophobicContact CG2-CD2 4.49Å; T215-Y228 HydrophobicContact CG2-CE1 3.74Å; T215-Y228 HydrophobicContact CG2-CE2 4.31Å; T215-Y228 HydrophobicContact CG2-CG 4.31Å; T215-Y228 PolarHBondContact OG1-OH 2.84Å; L226-Y228 HydrophobicContact CD2-CD1 4.19Å; L226-Y228 HydrophobicContact CG-CD1 4.18Å; Y228-Q230 HydrophobicContact CD2-CB 4.11Å; Y228-Q230 HydrophobicContact CE2-CB 3.82Å; Y228-I244 HydrophobicContact CE1-CB 4.1Å; Y228-I244 HydrophobicContact CE1-CG2 3.99Å; Y228-I244 HydrophobicContact CE2-CB 4.21Å; Y228-I244 HydrophobicContact CE2-CD1 4.1Å; Y228-I244 PolarHBondContact N-O 2.93Å; Y228-I244 PolarHBondContact O-N 3.26Å; Y228-K246 HydrophobicContact CE1-CD 4.13Å; Y228-K246 HydrophobicContact CE1-CG 4.5Å; Y228-K246 WeakPolarHBondContact OH-CE 3.17Å; Y228-K246 PolarHBondContact OH-NZ 3.15Å
229E95Very high91.7Very high65 Ų6573.2 Ų73.230%0.30437%0.365SS..EExtended strand (participates in β ladder)trans-90.2139.1174-60.5-176168.700110.9K211 F242 I266 R269 K270K211-E229 PolarHBondContact NZ-O 3.23Å; E229-F242 CarbonylContact C-O 3.5Å; E229-F242 WeakPolarHBondContact CA-O 3.32Å; E229-I266 HydrophobicContact CG-CD1 3.81Å; E229-I266 WeakPolarHBondContact OE1-CD1 3.39Å; E229-R269 IonicContact OE1-NH2 3.96Å; E229-K270 IonicContact OE2-NZ 3.55Å; E229-K270 PolarHBondContact OE2-NZ 2.81Å
230Q94.6Very high91.8Very high8 Ų873.4 Ų73.44%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-149.4138175.7178.6168.822.300111.9A208 K211 Y228 L232 F242 I244A208-Q230 VanDerWaalsContact CA-NE2 3.27Å; A208-Q230 PolarHBondContact O-NE2 3.46Å; K211-Q230 HydrophobicContact CD-CG 4.33Å; Y228-Q230 HydrophobicContact CD2-CB 4.11Å; Y228-Q230 HydrophobicContact CE2-CB 3.82Å; Q230-L232 HydrophobicContact CG-CD2 4.06Å; Q230-L232 HydrophobicContact CG-CG 4.37Å; Q230-F242 PolarHBondContact N-O 2.97Å; Q230-F242 PolarHBondContact O-N 3.39Å; Q230-I244 HydrophobicContact CB-CD1 4.1Å
231W93.2Very high92Very high110 Ų11072.4 Ų72.442%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-80.3132168.9-70.190.9000110.5K239 A240 C241 T267 K270W231-K239 HydrophobicContact CE3-CB 3.99Å; W231-K239 HydrophobicContact CZ3-CB 4.31Å; W231-A240 CarbonylContact C-O 3.59Å; W231-A240 WeakPolarHBondContact CA-O 3.45Å; W231-A240 VanDerWaalsContact CE3-C 3.48Å; W231-C241 HydrophobicContact CD2-CB 3.82Å; W231-C241 HydrophobicContact CE3-CB 3.92Å; W231-C241 HydrophobicContact CG-CB 4.49Å; W231-C241 HydrophobicContact CH2-CB 3.93Å; W231-C241 HydrophobicContact CZ2-CB 3.82Å; W231-C241 HydrophobicContact CZ3-CB 3.97Å; W231-T267 HydrophobicContact CH2-CG2 4.33Å; W231-T267 HydrophobicContact CZ3-CG2 4.2Å; W231-K270 HydrophobicContact CZ2-CG 4.35Å
232L94.2Very high92.4Very high2 Ų262.4 Ų62.41%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-127.6150.5175.7-61.8175.7000109.5L167 L187 Y204 A208 Q230 K239 A240 F242 I244L167-L232 HydrophobicContact CD1-CD1 4.43Å; L187-L232 HydrophobicContact CD1-CB 4.15Å; L187-L232 HydrophobicContact CD2-CB 4.24Å; L187-L232 HydrophobicContact CD2-CD1 3.7Å; Y204-L232 HydrophobicContact CD1-CD2 4.19Å; Y204-L232 HydrophobicContact CE1-CD1 4.49Å; Y204-L232 HydrophobicContact CE1-CD2 4.34Å; A208-L232 HydrophobicContact CB-CD2 3.96Å; Q230-L232 HydrophobicContact CG-CD2 4.06Å; Q230-L232 HydrophobicContact CG-CG 4.37Å; L232-K239 WeakPolarHBondContact O-CA 3.3Å; L232-A240 PolarHBondContact N-O 3.2Å; L232-A240 PolarHBondContact O-N 3.14Å; L232-F242 HydrophobicContact CB-CD2 4.03Å; L232-F242 HydrophobicContact CB-CE2 4.16Å; L232-F242 HydrophobicContact CD1-CD2 3.92Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CG-CD2 4.19Å; L232-I244 HydrophobicContact CD1-CD1 4.12Å
233D92.1Very high92.8Very high58 Ų5860.1 Ų60.131%0.3131%0.314SS..EExtended strand (participates in β ladder)trans-103.1127.2-175.8-51.7-56.8000109.4K239D233-K239 WeakPolarHBondContact OD1-CD 3.46Å; D233-K239 WeakPolarHBondContact OD1-CE 3.42Å; D233-K239 VanDerWaalsContact OD1-CG 3.24Å; D233-K239 WeakPolarHBondContact OD1-CG 3.32Å; D233-K239 IonicContact OD1-NZ 3.23Å; D233-K239 PolarHBondContact OD1-NZ 3.04Å; D233-K239 IonicContact OD2-NZ 3.82Å
234Y92.9Very high93.3Very high55 Ų5556.6 Ų56.622%0.21630%0.295CS..  trans-73.9159.8166.5-79.3-90.4000110.5L187 D236 G237 R238 A240 F242L187-Y234 HydrophobicContact CB-CE1 4.19Å; L187-Y234 HydrophobicContact CD1-CD1 4.05Å; L187-Y234 HydrophobicContact CD1-CD2 3.9Å; L187-Y234 HydrophobicContact CD1-CE1 3.97Å; L187-Y234 HydrophobicContact CD1-CE2 3.84Å; L187-Y234 HydrophobicContact CD1-CG 4.01Å; Y234-D236 VanDerWaalsContact CB-OD1 3.32Å; Y234-D236 WeakPolarHBondContact CB-OD1 2.88Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 VanDerWaalsContact O-N 3.15Å; Y234-G237 PolarHBondContact O-N 3.27Å; Y234-R238 WeakPolarHBondContact CB-O 3.44Å; Y234-R238 HydrophobicContact CD2-CB 4.37Å; Y234-R238 PolarHBondContact N-O 3.41Å; Y234-A240 HydrophobicContact CD2-CB 4.3Å; Y234-A240 HydrophobicContact CE2-CB 3.69Å; Y234-F242 HydrophobicContact CE2-CZ 4.31Å
235P89.9Confident93.7Very high89 Ų8959.1 Ų59.158%0.57830%0.296SS*.THydrogen-bonded Turntrans-64.8-22.1-177.5-20.834.7000113.7L187 G237L187-P235 WeakPolarHBondContact O-CD 3.31Å; P235-G237 VanDerWaalsContact C-N 3.26Å
236D89Confident93.9Very high96 Ų9656.3 Ų56.351%0.51328%0.276SS..THydrogen-bonded Turntrans-83.71.8175.462.114.1000113.6Y234 R238Y234-D236 VanDerWaalsContact CB-OD1 3.32Å; Y234-D236 WeakPolarHBondContact CB-OD1 2.88Å; Y234-D236 PolarHBondContact O-N 3.44Å; Y234-D236 VanDerWaalsContact O-N 3.15Å; D236-R238 VanDerWaalsContact OD1-CB 3.28Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 WeakPolarHBondContact OD1-CG 3.35Å; D236-R238 PolarHBondContact OD1-N 3.21Å; D236-R238 IonicContact OD1-NE 2.75Å; D236-R238 PolarHBondContact OD1-NE 3.37Å; D236-R238 IonicContact OD2-CZ 2.74Å; D236-R238 IonicContact OD2-NE 3.61Å; D236-R238 PolarHBondContact OD2-NE 3.13Å; D236-R238 IonicContact OD2-NH2 3.66Å; D236-R238 PolarHBondContact OD2-NH2 3.49Å
237G85.9Confident93.9Very high57 Ų5756.2 Ų56.259%0.58828%0.277SS*.SBendtrans88.6-2.8-179.600000114.8Y234 P235 K239Y234-G237 PolarHBondContact O-N 3.27Å; P235-G237 VanDerWaalsContact C-N 3.26Å; G237-K239 PolarHBondContact O-N 3.46Å
238R89.5Confident93.7Very high164 Ų16453.5 Ų53.562%0.61926%0.261SS*.  trans-65.9134.3172.9-70.6-176.3-71.1174.4-4.7110Y234 D236Y234-R238 WeakPolarHBondContact CB-O 3.44Å; Y234-R238 HydrophobicContact CD2-CB 4.37Å; Y234-R238 PolarHBondContact N-O 3.41Å; D236-R238 VanDerWaalsContact OD1-CB 3.28Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 WeakPolarHBondContact OD1-CG 3.35Å; D236-R238 PolarHBondContact OD1-N 3.21Å; D236-R238 IonicContact OD1-NE 2.75Å; D236-R238 PolarHBondContact OD1-NE 3.37Å; D236-R238 IonicContact OD2-CZ 2.74Å; D236-R238 IonicContact OD2-NE 3.61Å; D236-R238 PolarHBondContact OD2-NE 3.13Å; D236-R238 IonicContact OD2-NH2 3.66Å; D236-R238 PolarHBondContact OD2-NH2 3.49Å
239K90.7Very high93.5Very high120 Ų12057.4 Ų57.452%0.52228%0.277SS..EExtended strand (participates in β ladder)trans-99.6134.2172.9-54.6-156.7174.6-126.20110.7W231 L232 D233 G237W231-K239 HydrophobicContact CE3-CB 3.99Å; W231-K239 HydrophobicContact CZ3-CB 4.31Å; L232-K239 WeakPolarHBondContact O-CA 3.3Å; D233-K239 WeakPolarHBondContact OD1-CD 3.46Å; D233-K239 WeakPolarHBondContact OD1-CE 3.42Å; D233-K239 VanDerWaalsContact OD1-CG 3.24Å; D233-K239 WeakPolarHBondContact OD1-CG 3.32Å; D233-K239 IonicContact OD1-NZ 3.23Å; D233-K239 PolarHBondContact OD1-NZ 3.04Å; D233-K239 IonicContact OD2-NZ 3.82Å; G237-K239 PolarHBondContact O-N 3.46Å
240A93.8Very high93.2Very high4 Ų458.6 Ų58.63%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-127.6145.7173.300000110.7W231 L232 Y234 F242 T267W231-A240 CarbonylContact C-O 3.59Å; W231-A240 WeakPolarHBondContact CA-O 3.45Å; W231-A240 VanDerWaalsContact CE3-C 3.48Å; L232-A240 PolarHBondContact N-O 3.2Å; L232-A240 PolarHBondContact O-N 3.14Å; Y234-A240 HydrophobicContact CD2-CB 4.3Å; Y234-A240 HydrophobicContact CE2-CB 3.69Å; A240-F242 HydrophobicContact CB-CD2 4.3Å; A240-F242 HydrophobicContact CB-CE2 3.57Å; A240-F242 HydrophobicContact CB-CZ 3.96Å; A240-T267 WeakPolarHBondContact CA-OG1 3.35Å; A240-T267 WeakPolarHBondContact CB-OG1 2.99Å
241C95.2Very high92.8Very high1 Ų160.4 Ų60.41%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-97121.5176.7-166.50000108.8W231 I266 T267W231-C241 HydrophobicContact CD2-CB 3.82Å; W231-C241 HydrophobicContact CE3-CB 3.92Å; W231-C241 HydrophobicContact CG-CB 4.49Å; W231-C241 HydrophobicContact CH2-CB 3.93Å; W231-C241 HydrophobicContact CZ2-CB 3.82Å; W231-C241 HydrophobicContact CZ3-CB 3.97Å; C241-I266 HydrophobicContact CB-CG1 4.28Å; C241-I266 VanDerWaalsContact O-CG1 3.3Å; C241-I266 WeakPolarHBondContact O-CG1 3.06Å; C241-I266 PolarHBondContact O-N 2.98Å; C241-T267 PolarHBondContact N-OG1 3.35Å; C241-T267 PolarHBondContact O-N 3.41Å
242F96.9Very high92.4Very high3 Ų367.4 Ų67.41%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-110.9135.3178.9-67.9-87.6000111.2L167 L187 E229 Q230 L232 Y234 A240 I244 R264 D265L167-F242 HydrophobicContact CD1-CD1 3.51Å; L167-F242 HydrophobicContact CD1-CD2 4.21Å; L167-F242 HydrophobicContact CD1-CE1 3.57Å; L167-F242 HydrophobicContact CD1-CE2 4.24Å; L167-F242 HydrophobicContact CD1-CG 3.85Å; L167-F242 HydrophobicContact CD1-CZ 3.95Å; L167-F242 HydrophobicContact CD2-CE1 4.13Å; L167-F242 HydrophobicContact CD2-CZ 4.38Å; L167-F242 HydrophobicContact CG-CD1 3.94Å; L167-F242 HydrophobicContact CG-CE1 3.71Å; L167-F242 HydrophobicContact CG-CZ 4.32Å; L187-F242 HydrophobicContact CD1-CE2 3.95Å; L187-F242 HydrophobicContact CD1-CZ 4.26Å; L187-F242 HydrophobicContact CD2-CE2 4.23Å; L187-F242 HydrophobicContact CD2-CZ 4.47Å; E229-F242 CarbonylContact C-O 3.5Å; E229-F242 WeakPolarHBondContact CA-O 3.32Å; Q230-F242 PolarHBondContact N-O 2.97Å; Q230-F242 PolarHBondContact O-N 3.39Å; L232-F242 HydrophobicContact CB-CD2 4.03Å; L232-F242 HydrophobicContact CB-CE2 4.16Å; L232-F242 HydrophobicContact CD1-CD2 3.92Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CG-CD2 4.19Å; Y234-F242 HydrophobicContact CE2-CZ 4.31Å; A240-F242 HydrophobicContact CB-CD2 4.3Å; A240-F242 HydrophobicContact CB-CE2 3.57Å; A240-F242 HydrophobicContact CB-CZ 3.96Å; F242-I244 HydrophobicContact CB-CD1 4.35Å; F242-I244 HydrophobicContact CB-CG1 3.86Å; F242-I244 PolarHBondContact O-N 3.39Å; F242-R264 CarbonylContact C-O 3.58Å; F242-R264 VanDerWaalsContact CA-O 3.24Å; F242-R264 WeakPolarHBondContact CA-O 3.5Å; F242-D265 HydrophobicContact CD1-CB 4.14Å; F242-D265 HydrophobicContact CE1-CB 3.75Å; F242-D265 HydrophobicContact CZ-CB 4.44Å
243E97.8Very high91.9Very high63 Ų6373.6 Ų73.629%0.29435%0.353SS..EExtended strand (participates in β ladder)trans-84.2104.8161.7-173.1-176.787.900107.6T227 G263 R264 I266 R269T227-E243 HydrophobicContact CG2-CG 3.98Å; E243-G263 WeakPolarHBondContact O-CA 3.39Å; E243-R264 PolarHBondContact N-O 3.45Å; E243-R264 PolarHBondContact O-N 3.42Å; E243-I266 HydrophobicContact CB-CD1 4.17Å; E243-I266 HydrophobicContact CB-CG1 4.41Å; E243-I266 HydrophobicContact CB-CG2 4Å; E243-R269 IonicContact OE2-NH2 3.53Å; E243-R269 PolarHBondContact OE2-NH2 3.2Å
244I97.7Very high91.4Very high5 Ų573.1 Ų73.13%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-100.9123.2-174.1-57.8176.5000109.3T227 Y228 Q230 L232 F242 K246 F262T227-I244 CarbonylContact C-O 3.53Å; T227-I244 VanDerWaalsContact CA-O 3.26Å; T227-I244 WeakPolarHBondContact CA-O 3.41Å; Y228-I244 HydrophobicContact CE1-CB 4.1Å; Y228-I244 HydrophobicContact CE1-CG2 3.99Å; Y228-I244 HydrophobicContact CE2-CB 4.21Å; Y228-I244 HydrophobicContact CE2-CD1 4.1Å; Y228-I244 PolarHBondContact N-O 2.93Å; Y228-I244 PolarHBondContact O-N 3.26Å; Q230-I244 HydrophobicContact CB-CD1 4.1Å; L232-I244 HydrophobicContact CD1-CD1 4.12Å; F242-I244 HydrophobicContact CB-CD1 4.35Å; F242-I244 HydrophobicContact CB-CG1 3.86Å; F242-I244 PolarHBondContact O-N 3.39Å; I244-K246 HydrophobicContact CG2-CG 4.22Å; I244-F262 CarbonylContact C-O 3.58Å; I244-F262 VanDerWaalsContact CA-O 3.24Å; I244-F262 WeakPolarHBondContact CA-O 3.38Å
245R97.5Very high91.2Very high132 Ų13276.2 Ų76.250%0.49838%0.377SS..EExtended strand (participates in β ladder)trans-111125.2171.2-175.2176.1-174.3-167.71.4110.4L226 T227 V247 G261 F262L226-R245 CarbonylContact O-C 3.57Å; L226-R245 WeakPolarHBondContact O-CA 3.28Å; T227-R245 HydrophobicContact CG2-CB 4.46Å; R245-V247 HydrophobicContact CG-CG2 4.2Å; R245-G261 CarbonylContact O-C 3.53Å; R245-G261 WeakPolarHBondContact O-CA 3.34Å; R245-F262 PolarHBondContact N-O 2.97Å; R245-F262 PolarHBondContact O-N 2.79Å
246K97.2Very high90.9Very high0 Ų075.3 Ų75.30%036%0.362CS..EExtended strand (participates in β ladder)trans-111.3137.2175.5-64.5178.8-178.5176.50110.3V212 T215 D216 V219 S225 L226 Y228 I244 M260V212-K246 PolarHBondContact O-NZ 2.9Å; T215-K246 PolarHBondContact OG1-NZ 3.24Å; D216-K246 WeakPolarHBondContact OD1-CD 3.45Å; D216-K246 VanDerWaalsContact OD1-CE 3.24Å; D216-K246 WeakPolarHBondContact OD1-CE 3.38Å; D216-K246 IonicContact OD1-NZ 3.65Å; D216-K246 PolarHBondContact OD1-NZ 2.95Å; V219-K246 HydrophobicContact CG2-CB 3.79Å; V219-K246 HydrophobicContact CG2-CD 4.47Å; S225-K246 CarbonylContact C-O 3.48Å; S225-K246 WeakPolarHBondContact CA-O 3.37Å; S225-K246 WeakPolarHBondContact CB-O 3.48Å; L226-K246 PolarHBondContact N-O 3.47Å; L226-K246 PolarHBondContact O-N 3.31Å; Y228-K246 HydrophobicContact CE1-CD 4.13Å; Y228-K246 HydrophobicContact CE1-CG 4.5Å; Y228-K246 WeakPolarHBondContact OH-CE 3.17Å; Y228-K246 PolarHBondContact OH-NZ 3.15Å; I244-K246 HydrophobicContact CG2-CG 4.22Å; K246-M260 CarbonylContact C-O 3.57Å; K246-M260 VanDerWaalsContact CA-O 3.3Å; K246-M260 WeakPolarHBondContact CA-O 3.42Å
247V94.9Very high90.8Very high46 Ų4674.5 Ų74.528%0.27935%0.354SS..EExtended strand (participates in β ladder)trans-135.4132.3-177.8-172.20000108.9R245 L259 M260 F262R245-V247 HydrophobicContact CG-CG2 4.2Å; V247-L259 CarbonylContact O-C 3.58Å; V247-L259 WeakPolarHBondContact O-CA 3.44Å; V247-M260 PolarHBondContact N-O 2.9Å; V247-M260 PolarHBondContact O-N 2.63Å; V247-F262 HydrophobicContact CG2-CE2 4.39Å
248P94.5Very high91.1Very high18 Ų1871.9 Ų71.912%0.11733%0.327CS..EExtended strand (participates in β ladder)trans-64.4140.4174.127-33.3000110.9V219 Y250V219-P248 HydrophobicContact CG1-CB 4.39Å; P248-Y250 HydrophobicContact CB-CE2 3.78Å; P248-Y250 HydrophobicContact CG-CE2 3.8Å
249Y90.8Very high91.3Very high109 Ų10964.1 Ų64.143%0.42730%0.298SS..EExtended strand (participates in β ladder)trans-108.1129.6179.3173.5-122.6000111.2R256 H257 G258 M260Y249-R256 CarbonylContact O-C 3.59Å; Y249-R256 VanDerWaalsContact O-CA 3.29Å; Y249-R256 WeakPolarHBondContact O-CA 3.44Å; Y249-R256 WeakPolarHBondContact O-CG 3.25Å; Y249-H257 HydrophobicContact CD1-CB 3.88Å; Y249-H257 HydrophobicContact CE1-CB 4.07Å; Y249-H257 PolarHBondContact O-N 3.03Å; Y249-G258 PolarHBondContact N-O 3.43Å; Y249-M260 HydrophobicContact CD1-CE 4.29Å; Y249-M260 HydrophobicContact CD2-CE 3.25Å; Y249-M260 HydrophobicContact CD2-SD 4.47Å; Y249-M260 HydrophobicContact CE2-CE 3.61Å; Y249-M260 HydrophobicContact CG-CE 3.63Å; Y249-M260 HydrophobicContact CG-CG 4.5Å
250Y88.9Confident91.6Very high91 Ų9160.6 Ų60.636%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-119.4146.3-179.2-55.3-89.5000110.9N223 P248 G254 K255 R256N223-Y250 WeakPolarHBondContact CB-OH 3.48Å; P248-Y250 HydrophobicContact CB-CE2 3.78Å; P248-Y250 HydrophobicContact CG-CE2 3.8Å; Y250-G254 WeakPolarHBondContact CD1-O 3.48Å; Y250-K255 CarbonylContact C-O 3.54Å; Y250-K255 VanDerWaalsContact CA-O 3.3Å; Y250-K255 WeakPolarHBondContact CA-O 3.42Å; Y250-R256 HydrophobicContact CD1-CB 3.7Å; Y250-R256 HydrophobicContact CD1-CG 4.28Å; Y250-R256 HydrophobicContact CE1-CB 3.64Å; Y250-R256 HydrophobicContact CE1-CG 4.05Å
251D85.9Confident91.7Very high46 Ų4660.4 Ų60.425%0.24628%0.283CS..  trans-75.8-176.5167.268.512000112.2V253 G254 K255 H257D251-V253 PolarHBondContact O-N 3.19Å; D251-V253 WeakPolarHBondContact OD1-CA 3.4Å; D251-V253 PolarHBondContact OD1-N 3.16Å; D251-G254 PolarHBondContact O-N 3.5Å; D251-G254 VanDerWaalsContact O-N 3.13Å; D251-G254 PolarHBondContact OD1-N 3Å; D251-K255 PolarHBondContact N-O 2.92Å; D251-K255 PolarHBondContact OD1-N 2.94Å; D251-K255 WeakPolarHBondContact OD2-CB 3.35Å; D251-H257 IonicContact OD2-CD2 3.94Å; D251-H257 IonicContact OD2-NE2 3.29Å; D251-H257 PolarHBondContact OD2-NE2 3.19Å
252R84.4Confident91.8Very high256 Ų25664.1 Ų64.197%0.96630%0.299SS*.THydrogen-bonded Turntrans-65.5-19.6177.6-61.4-175.6-177.2-1761.3113.7G254R252-G254 VanDerWaalsContact C-N 3.35Å
253V84.8Confident91.8Very high132 Ų13264 Ų6480%0.830%0.298SS*.THydrogen-bonded Turntrans-92.6-3.4179.2-168.20000110.6D251 K255D251-V253 PolarHBondContact O-N 3.19Å; D251-V253 WeakPolarHBondContact OD1-CA 3.4Å; D251-V253 PolarHBondContact OD1-N 3.16Å; V253-K255 VanDerWaalsContact C-N 3.34Å
254G82.2Confident91.7Very high49 Ų4967.4 Ų67.451%0.50531%0.308SS..SBendtrans82.29.6-176.400000113.6Y250 D251 R252Y250-G254 WeakPolarHBondContact CD1-O 3.48Å; D251-G254 PolarHBondContact O-N 3.5Å; D251-G254 VanDerWaalsContact O-N 3.13Å; D251-G254 PolarHBondContact OD1-N 3Å; R252-G254 VanDerWaalsContact C-N 3.35Å
255K87.1Confident91.6Very high120 Ų12071 Ų7152%0.52233%0.328SS..  trans-77.3127.9173-173.1-173.5174.4-172.50109.4Y250 D251 V253 H257Y250-K255 CarbonylContact C-O 3.54Å; Y250-K255 VanDerWaalsContact CA-O 3.3Å; Y250-K255 WeakPolarHBondContact CA-O 3.42Å; D251-K255 PolarHBondContact N-O 2.92Å; D251-K255 PolarHBondContact OD1-N 2.94Å; D251-K255 WeakPolarHBondContact OD2-CB 3.35Å; V253-K255 VanDerWaalsContact C-N 3.34Å; K255-H257 PolarHBondContact O-N 2.84Å
256R84.2Confident91.6Very high70 Ų7065.1 Ų65.126%0.26431%0.306SS..EExtended strand (participates in β ladder)trans-76.1113178.2-172.8-158.965.5-162.12.8110.8F220 N223 Y249 Y250F220-R256 PolarHBondContact O-NH1 3.31Å; N223-R256 PolarHBondContact OD1-NH1 3.06Å; Y249-R256 CarbonylContact O-C 3.59Å; Y249-R256 VanDerWaalsContact O-CA 3.29Å; Y249-R256 WeakPolarHBondContact O-CA 3.44Å; Y249-R256 WeakPolarHBondContact O-CG 3.25Å; Y250-R256 HydrophobicContact CD1-CB 3.7Å; Y250-R256 HydrophobicContact CD1-CG 4.28Å; Y250-R256 HydrophobicContact CE1-CB 3.64Å; Y250-R256 HydrophobicContact CE1-CG 4.05Å
257H86Confident91.4Very high78 Ų7865.8 Ų65.836%0.36131%0.31SS..EExtended strand (participates in β ladder)trans-87.5-13.5176.4-83.1-86.1000114.4N172 E173 Y249 D251 K255N172-H257 CarbonylContact C-O 3.51Å; E173-H257 WeakPolarHBondContact CG-O 3.21Å; E173-H257 PolarHBondContact N-O 3.49Å; Y249-H257 HydrophobicContact CD1-CB 3.88Å; Y249-H257 HydrophobicContact CE1-CB 4.07Å; Y249-H257 PolarHBondContact O-N 3.03Å; D251-H257 IonicContact OD2-CD2 3.94Å; D251-H257 IonicContact OD2-NE2 3.29Å; D251-H257 PolarHBondContact OD2-NE2 3.19Å; K255-H257 PolarHBondContact O-N 2.84Å
258G92.6Very high91.2Very high2 Ų269.8 Ų69.82%0.02133%0.326CS..EExtended strand (participates in β ladder)trans162.8-151.8-171.600000114.2R171 Y249R171-G258 CarbonylContact O-C 3.57Å; R171-G258 WeakPolarHBondContact O-CA 3.18Å; Y249-G258 PolarHBondContact N-O 3.43Å
259L95.1Very high91Very high2 Ų275.2 Ų75.21%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-135154.6171.266.280.1000111.8F169 R171 D216 V219 F220 V247F169-L259 HydrophobicContact CE2-CD1 4.13Å; R171-L259 HydrophobicContact CB-CD1 4.15Å; R171-L259 HydrophobicContact CB-CG 4.19Å; R171-L259 HydrophobicContact CG-CD1 4.38Å; R171-L259 PolarHBondContact N-O 3.46Å; R171-L259 PolarHBondContact O-N 3.18Å; D216-L259 HydrophobicContact CB-CD2 4.1Å; V219-L259 HydrophobicContact CB-CD2 4.44Å; V219-L259 HydrophobicContact CG1-CB 4.28Å; V219-L259 HydrophobicContact CG1-CD2 4.28Å; F220-L259 HydrophobicContact CD2-CD2 4.03Å; F220-L259 HydrophobicContact CE1-CD2 4.27Å; F220-L259 HydrophobicContact CE1-CG 4.49Å; F220-L259 HydrophobicContact CE2-CD2 3.43Å; F220-L259 VanDerWaalsContact CE2-CD2 3.43Å; F220-L259 HydrophobicContact CE2-CG 4.22Å; F220-L259 HydrophobicContact CZ-CB 4.37Å; F220-L259 HydrophobicContact CZ-CD2 3.59Å; F220-L259 HydrophobicContact CZ-CG 3.88Å; V247-L259 CarbonylContact O-C 3.58Å; V247-L259 WeakPolarHBondContact O-CA 3.44Å
260M95.3Very high90.9Very high46 Ų4672 Ų7223%0.22733%0.332CS..EExtended strand (participates in β ladder)trans-108.3138.5168.7-53.3-167.3167.700109Y170 K246 V247 Y249 F262Y170-M260 HydrophobicContact CD1-CB 4.36Å; Y170-M260 HydrophobicContact CD1-CE 3.96Å; Y170-M260 HydrophobicContact CD1-CG 3.75Å; Y170-M260 HydrophobicContact CD1-SD 4.14Å; Y170-M260 HydrophobicContact CE1-CB 4.44Å; Y170-M260 HydrophobicContact CE1-CE 3.68Å; Y170-M260 HydrophobicContact CE1-CG 3.88Å; Y170-M260 HydrophobicContact CE1-SD 3.68Å; K246-M260 CarbonylContact C-O 3.57Å; K246-M260 VanDerWaalsContact CA-O 3.3Å; K246-M260 WeakPolarHBondContact CA-O 3.42Å; V247-M260 PolarHBondContact N-O 2.9Å; V247-M260 PolarHBondContact O-N 2.63Å; Y249-M260 HydrophobicContact CD1-CE 4.29Å; Y249-M260 HydrophobicContact CD2-CE 3.25Å; Y249-M260 HydrophobicContact CD2-SD 4.47Å; Y249-M260 HydrophobicContact CE2-CE 3.61Å; Y249-M260 HydrophobicContact CG-CE 3.63Å; Y249-M260 HydrophobicContact CG-CG 4.5Å; M260-F262 HydrophobicContact CB-CE2 4.03Å; M260-F262 HydrophobicContact CB-CZ 4.25Å
261G96.2Very high90.7Very high0 Ų075 Ų750%034%0.343CS..EExtended strand (participates in β ladder)trans-120.1137.5173.900000111.5V168 F169 R245V168-G261 WeakPolarHBondContact CA-O 3.37Å; F169-G261 PolarHBondContact N-O 3.4Å; F169-G261 PolarHBondContact O-N 3.01Å; R245-G261 CarbonylContact O-C 3.53Å; R245-G261 WeakPolarHBondContact O-CA 3.34Å
262F97.1Very high90.7Very high79 Ų7980.2 Ų80.235%0.34636%0.36SS..EExtended strand (participates in β ladder)trans-120.8133.3174-53.5-87.9000108L167 V168 I244 R245 V247 M260L167-F262 CarbonylContact O-C 3.57Å; L167-F262 WeakPolarHBondContact O-CA 3.43Å; V168-F262 HydrophobicContact CG1-CD1 4.4Å; V168-F262 HydrophobicContact CG1-CE1 4.23Å; V168-F262 HydrophobicContact CG2-CD1 4.18Å; I244-F262 CarbonylContact C-O 3.58Å; I244-F262 VanDerWaalsContact CA-O 3.24Å; I244-F262 WeakPolarHBondContact CA-O 3.38Å; R245-F262 PolarHBondContact N-O 2.97Å; R245-F262 PolarHBondContact O-N 2.79Å; V247-F262 HydrophobicContact CG2-CE2 4.39Å; M260-F262 HydrophobicContact CB-CE2 4.03Å; M260-F262 HydrophobicContact CB-CZ 4.25Å
263G96.8Very high90.7Very high0 Ų072.6 Ų72.60%034%0.336CS..EExtended strand (participates in β ladder)trans-130.9111.2179.200000111.4D166 L167 E243D166-G263 CarbonylContact C-O 3.53Å; D166-G263 WeakPolarHBondContact CA-O 3.33Å; L167-G263 PolarHBondContact N-O 2.86Å; L167-G263 PolarHBondContact O-N 3.09Å; E243-G263 WeakPolarHBondContact O-CA 3.39Å
264R97.2Very high90.6Very high134 Ų13468.6 Ų68.651%0.50631%0.31SS..EExtended strand (participates in β ladder)trans-93.4129.1176.6178.4164.3-66.3163.14.8110.7D166 F242 E243 I266D166-R264 WeakPolarHBondContact OD1-CA 3.35Å; D166-R264 IonicContact OD1-NE 2.87Å; D166-R264 PolarHBondContact OD1-NE 2.89Å; D166-R264 IonicContact OD2-CZ 3.56Å; D166-R264 IonicContact OD2-NE 3.7Å; D166-R264 PolarHBondContact OD2-NE 3.45Å; D166-R264 IonicContact OD2-NH2 3.54Å; D166-R264 PolarHBondContact OD2-NH2 2.87Å; F242-R264 CarbonylContact C-O 3.58Å; F242-R264 VanDerWaalsContact CA-O 3.24Å; F242-R264 WeakPolarHBondContact CA-O 3.5Å; E243-R264 PolarHBondContact N-O 3.45Å; E243-R264 PolarHBondContact O-N 3.42Å; R264-I266 HydrophobicContact CG-CG2 4.28Å; R264-I266 PolarHBondContact O-N 2.88Å
265D95.5Very high90.3Very high80 Ų8068.3 Ų68.343%0.42830%0.302SS..EExtended strand (participates in β ladder)trans-69.2117.4173.7-167.8-20.1000110F242 T267F242-D265 HydrophobicContact CD1-CB 4.14Å; F242-D265 HydrophobicContact CE1-CB 3.75Å; F242-D265 HydrophobicContact CZ-CB 4.44Å; D265-T267 WeakPolarHBondContact OD1-CB 3.28Å; D265-T267 PolarHBondContact OD1-N 2.89Å; D265-T267 PolarHBondContact OD1-OG1 3.27Å
266I96Very high89.9Confident10 Ų1068.7 Ų68.75%0.05131%0.31CS..  trans-117.817177.560.8160.4000111.6E229 C241 E243 R264 E268 R269 K270E229-I266 HydrophobicContact CG-CD1 3.81Å; E229-I266 WeakPolarHBondContact OE1-CD1 3.39Å; C241-I266 HydrophobicContact CB-CG1 4.28Å; C241-I266 VanDerWaalsContact O-CG1 3.3Å; C241-I266 WeakPolarHBondContact O-CG1 3.06Å; C241-I266 PolarHBondContact O-N 2.98Å; E243-I266 HydrophobicContact CB-CD1 4.17Å; E243-I266 HydrophobicContact CB-CG1 4.41Å; E243-I266 HydrophobicContact CB-CG2 4Å; R264-I266 HydrophobicContact CG-CG2 4.28Å; R264-I266 PolarHBondContact O-N 2.88Å; I266-E268 PolarHBondContact O-N 3.17Å; I266-R269 PolarHBondContact O-N 2.92Å; I266-K270 WeakPolarHBondContact O-CB 3.47Å; I266-K270 PolarHBondContact O-N 3.48Å
267T93.6Very high89.5Confident14 Ų1469.4 Ų69.49%0.08632%0.316CS..Hα-helixtrans-56-47.6-172.4-56.20000112.4W231 A240 C241 D265 K270 R271W231-T267 HydrophobicContact CH2-CG2 4.33Å; W231-T267 HydrophobicContact CZ3-CG2 4.2Å; A240-T267 WeakPolarHBondContact CA-OG1 3.35Å; A240-T267 WeakPolarHBondContact CB-OG1 2.99Å; C241-T267 PolarHBondContact N-OG1 3.35Å; C241-T267 PolarHBondContact O-N 3.41Å; D265-T267 WeakPolarHBondContact OD1-CB 3.28Å; D265-T267 PolarHBondContact OD1-N 2.89Å; D265-T267 PolarHBondContact OD1-OG1 3.27Å; T267-K270 PolarHBondContact O-N 3.05Å; T267-R271 WeakPolarHBondContact O-CG 3.44Å; T267-R271 PolarHBondContact O-N 2.92Å
268E91.3Very high88.7Confident129 Ų12972.4 Ų72.460%0.60332%0.324SS*.Hα-helixtrans-65.2-46.1-179.5-172.1178.6-171.900111.2I266 K270 R271 Y272I266-E268 PolarHBondContact O-N 3.17Å; E268-K270 VanDerWaalsContact C-N 3.31Å; E268-K270 PolarHBondContact O-N 3.45Å; E268-R271 PolarHBondContact O-N 3.09Å; E268-Y272 HydrophobicContact CG-CD2 3.86Å; E268-Y272 HydrophobicContact CG-CE2 3.36Å; E268-Y272 VanDerWaalsContact O-CD2 3.24Å; E268-Y272 WeakPolarHBondContact O-CD2 3.42Å; E268-Y272 PolarHBondContact O-N 2.9Å; E268-Y272 VanDerWaalsContact OE1-CE2 3.3Å; E268-Y272 WeakPolarHBondContact OE1-CE2 3.32Å; E268-Y272 PolarHBondContact OE1-OH 3.33Å
269R91Very high87.5Confident133 Ų13374.9 Ų74.950%0.50235%0.345SS..Hα-helixtrans-55.6-46.5175.1-172.9178.885.5-172.60.9111.1E229 E243 I266 Y272 Q273E229-R269 IonicContact OE1-NH2 3.96Å; E243-R269 IonicContact OE2-NH2 3.53Å; E243-R269 PolarHBondContact OE2-NH2 3.2Å; I266-R269 PolarHBondContact O-N 2.92Å; R269-Y272 PolarHBondContact O-N 3.18Å; R269-Q273 WeakPolarHBondContact O-CB 3.38Å; R269-Q273 PolarHBondContact O-N 3.16Å
270K88.8Confident86.5Confident41 Ų4178.1 Ų78.118%0.17837%0.367CS..Hα-helixtrans-65.3-42.3-179.6-167.367.7177.7-162.20112E229 W231 I266 T267 E268 Y272 Q273 D274E229-K270 IonicContact OE2-NZ 3.55Å; E229-K270 PolarHBondContact OE2-NZ 2.81Å; W231-K270 HydrophobicContact CZ2-CG 4.35Å; I266-K270 WeakPolarHBondContact O-CB 3.47Å; I266-K270 PolarHBondContact O-N 3.48Å; T267-K270 PolarHBondContact O-N 3.05Å; E268-K270 VanDerWaalsContact C-N 3.31Å; E268-K270 PolarHBondContact O-N 3.45Å; K270-Y272 PolarHBondContact O-N 3.25Å; K270-Q273 PolarHBondContact O-N 3.23Å; K270-D274 WeakPolarHBondContact O-CB 3.5Å; K270-D274 VanDerWaalsContact O-CG 3.23Å; K270-D274 PolarHBondContact O-N 2.83Å
271R84.7Confident85.2Confident154 Ų15483.1 Ų83.158%0.58138%0.384SS*.Hα-helixtrans-61.5-42.9176.9-75.4178.1-177.9-178.23.8112.5T267 E268 A275T267-R271 WeakPolarHBondContact O-CG 3.44Å; T267-R271 PolarHBondContact O-N 2.92Å; E268-R271 PolarHBondContact O-N 3.09Å; R271-A275 WeakPolarHBondContact O-CB 3.5Å; R271-A275 PolarHBondContact O-N 3.02Å
272Y84.9Confident83.7Confident155 Ų15588.1 Ų88.161%0.60841%0.41SS*.Hα-helixtrans-66-42.3175.9-72.8-54.9000112E268 R269 K270 A275 L276E268-Y272 HydrophobicContact CG-CD2 3.86Å; E268-Y272 HydrophobicContact CG-CE2 3.36Å; E268-Y272 VanDerWaalsContact O-CD2 3.24Å; E268-Y272 WeakPolarHBondContact O-CD2 3.42Å; E268-Y272 PolarHBondContact O-N 2.9Å; E268-Y272 VanDerWaalsContact OE1-CE2 3.3Å; E268-Y272 WeakPolarHBondContact OE1-CE2 3.32Å; E268-Y272 PolarHBondContact OE1-OH 3.33Å; R269-Y272 PolarHBondContact O-N 3.18Å; K270-Y272 PolarHBondContact O-N 3.25Å; Y272-A275 PolarHBondContact O-N 2.95Å; Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 PolarHBondContact O-N 3.06Å
273Q85.4Confident82.4Confident96 Ų9689.1 Ų89.145%0.44941%0.414SS..Hα-helixtrans-60.6-50.4176.8-176.6177.5-0.300111.5R269 K270 A275 L276 E277R269-Q273 WeakPolarHBondContact O-CB 3.38Å; R269-Q273 PolarHBondContact O-N 3.16Å; K270-Q273 PolarHBondContact O-N 3.23Å; Q273-A275 VanDerWaalsContact C-N 3.3Å; Q273-A275 PolarHBondContact O-N 3.36Å; Q273-L276 PolarHBondContact O-N 3.48Å; Q273-E277 WeakPolarHBondContact O-CB 3.46Å; Q273-E277 PolarHBondContact O-N 2.96Å
274D81.6Confident80.7Confident49 Ų4990.7 Ų90.726%0.26242%0.424SS..Hα-helixtrans-65.1-35180-65.7-11.8000111.7K270 R278K270-D274 WeakPolarHBondContact O-CB 3.5Å; K270-D274 VanDerWaalsContact O-CG 3.23Å; K270-D274 PolarHBondContact O-N 2.83Å; D274-R278 WeakPolarHBondContact O-CB 3.48Å; D274-R278 WeakPolarHBondContact O-CG 3.39Å; D274-R278 PolarHBondContact O-N 3.32Å; D274-R278 PolarHBondContact O-NE 3.45Å
275A75.8Confident79Confident42 Ų4288.3 Ų88.335%0.34743%0.425SS..Hα-helixtrans-68.7-41.8175.800000112R271 Y272 Q273 R278 A279R271-A275 WeakPolarHBondContact O-CB 3.5Å; R271-A275 PolarHBondContact O-N 3.02Å; Y272-A275 PolarHBondContact O-N 2.95Å; Q273-A275 VanDerWaalsContact C-N 3.3Å; Q273-A275 PolarHBondContact O-N 3.36Å; A275-R278 PolarHBondContact O-N 2.9Å; A275-A279 WeakPolarHBondContact O-CB 3.38Å; A275-A279 PolarHBondContact O-N 3.16Å
276L78Confident77.4Confident129 Ų12990.5 Ų90.568%0.67543%0.431SS*.Hα-helixtrans-65.6-43.1176.2-176.366.7000111.2Y272 Q273 A279 S280Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 PolarHBondContact O-N 3.06Å; Q273-L276 PolarHBondContact O-N 3.48Å; L276-A279 PolarHBondContact O-N 3.46Å; L276-S280 WeakPolarHBondContact O-CB 3.28Å; L276-S280 PolarHBondContact O-N 3.09Å
277E76.7Confident76.2Confident85 Ų8591.7 Ų91.740%0.39744%0.437SS..Hα-helixtrans-63.9-43.7176.7-172176.2-176.400111.4Q273 S280 R281Q273-E277 WeakPolarHBondContact O-CB 3.46Å; Q273-E277 PolarHBondContact O-N 2.96Å; E277-S280 PolarHBondContact O-N 2.87Å; E277-R281 WeakPolarHBondContact O-CG 3.29Å; E277-R281 PolarHBondContact O-N 3.05Å; E277-R281 IonicContact OE1-CZ 3.55Å; E277-R281 VanDerWaalsContact OE1-CZ 3.3Å; E277-R281 IonicContact OE1-NE 3.73Å; E277-R281 PolarHBondContact OE1-NE 3.35Å; E277-R281 IonicContact OE1-NH2 2.63Å; E277-R281 PolarHBondContact OE1-NH2 3.32Å
278R68.7Low74.9Confident140 Ų14094.5 Ų94.553%0.52846%0.457SS..Hα-helixtrans-59.7-50.5172.9-83-178.3-95.2116.1-3.2111.9D274 A275 S280 R281 D282D274-R278 WeakPolarHBondContact O-CB 3.48Å; D274-R278 WeakPolarHBondContact O-CG 3.39Å; D274-R278 PolarHBondContact O-N 3.32Å; D274-R278 PolarHBondContact O-NE 3.45Å; A275-R278 PolarHBondContact O-N 2.9Å; R278-S280 PolarHBondContact O-N 3.42Å; R278-R281 PolarHBondContact O-N 3.32Å; R278-R281 VanDerWaalsContact O-N 3.13Å; R278-D282 WeakPolarHBondContact O-CB 3.18Å; R278-D282 PolarHBondContact O-N 3.14Å
279A67.9Low73.3Confident55 Ų5591.7 Ų91.746%0.45545%0.449SS..Hα-helixtrans-58.6-37.8177.800000112.5A275 L276 K283A275-A279 WeakPolarHBondContact O-CB 3.38Å; A275-A279 PolarHBondContact O-N 3.16Å; L276-A279 PolarHBondContact O-N 3.46Å; A279-K283 VanDerWaalsContact O-CB 3.3Å; A279-K283 WeakPolarHBondContact O-CB 3.43Å; A279-K283 PolarHBondContact O-N 3.47Å
280S74.4Confident72.5Confident69 Ų6988 Ų8848%0.48344%0.438SS..Hα-helixtrans-66.4-44.7175.8-174.40000112.3L276 E277 R278 T284L276-S280 WeakPolarHBondContact O-CB 3.28Å; L276-S280 PolarHBondContact O-N 3.09Å; E277-S280 PolarHBondContact O-N 2.87Å; R278-S280 PolarHBondContact O-N 3.42Å; S280-T284 VanDerWaalsContact O-CB 3.22Å; S280-T284 WeakPolarHBondContact O-CB 3.18Å; S280-T284 PolarHBondContact O-N 2.91Å; S280-T284 PolarHBondContact O-OG1 3.02Å
281R66.9Low71.5Confident151 Ų15187 Ų8757%0.5744%0.437SS*.Hα-helixtrans-65.4-37.7175-71.3177.5-176.1-166.21.9112.3E277 R278 T284 T285E277-R281 WeakPolarHBondContact O-CG 3.29Å; E277-R281 PolarHBondContact O-N 3.05Å; E277-R281 IonicContact OE1-CZ 3.55Å; E277-R281 VanDerWaalsContact OE1-CZ 3.3Å; E277-R281 IonicContact OE1-NE 3.73Å; E277-R281 PolarHBondContact OE1-NE 3.35Å; E277-R281 IonicContact OE1-NH2 2.63Å; E277-R281 PolarHBondContact OE1-NH2 3.32Å; R278-R281 PolarHBondContact O-N 3.32Å; R278-R281 VanDerWaalsContact O-N 3.13Å; R281-T284 VanDerWaalsContact O-CB 3.23Å; R281-T284 WeakPolarHBondContact O-CB 3.34Å; R281-T284 PolarHBondContact O-N 2.91Å; R281-T285 PolarHBondContact O-N 3.25Å; R281-T285 PolarHBondContact O-OG1 3.3Å; R281-T285 VanDerWaalsContact O-OG1 3.09Å
282D65.2Low70.8Confident105 Ų10584.2 Ų84.256%0.56143%0.43SS*.Hα-helixtrans-70.6-46178.9-67.3-17.6000111.3R278 T284 T285 F286R278-D282 WeakPolarHBondContact O-CB 3.18Å; R278-D282 PolarHBondContact O-N 3.14Å; D282-T284 PolarHBondContact O-N 3.04Å; D282-T285 PolarHBondContact O-N 2.91Å; D282-F286 WeakPolarHBondContact O-CB 3.2Å; D282-F286 PolarHBondContact O-N 3.46Å
283K69.1Low70.3Confident100 Ų10082.6 Ų82.644%0.43543%0.428SS..Hα-helixtrans-52.2-41.7169.6-176.3-170.9178.1-164.30109.7A279 I287 E345A279-K283 VanDerWaalsContact O-CB 3.3Å; A279-K283 WeakPolarHBondContact O-CB 3.43Å; A279-K283 PolarHBondContact O-N 3.47Å; K283-I287 WeakPolarHBondContact O-CG1 3.35Å; K283-I287 PolarHBondContact O-N 3.14Å; K283-E345 IonicContact NZ-OE2 2.74Å; K283-E345 PolarHBondContact NZ-OE2 3.34Å
284T62.7Low70Confident34 Ų3481.3 Ų81.321%0.20942%0.424CS..Hα-helixtrans-64.9-53.6-177.2-79.70000112.9S280 R281 D282 F286 I287 S288 R346S280-T284 VanDerWaalsContact O-CB 3.22Å; S280-T284 WeakPolarHBondContact O-CB 3.18Å; S280-T284 PolarHBondContact O-N 2.91Å; S280-T284 PolarHBondContact O-OG1 3.02Å; R281-T284 VanDerWaalsContact O-CB 3.23Å; R281-T284 WeakPolarHBondContact O-CB 3.34Å; R281-T284 PolarHBondContact O-N 2.91Å; D282-T284 PolarHBondContact O-N 3.04Å; T284-F286 VanDerWaalsContact C-N 3.28Å; T284-F286 PolarHBondContact O-N 3.16Å; T284-I287 PolarHBondContact O-N 3.32Å; T284-S288 PolarHBondContact O-N 3.2Å; T284-R346 VanDerWaalsContact CB-NH2 3.28Å; T284-R346 VanDerWaalsContact CG2-NH2 3.32Å; T284-R346 PolarHBondContact O-NH2 2.91Å; T284-R346 PolarHBondContact OG1-NE 3Å; T284-R346 PolarHBondContact OG1-NH2 3.44Å
285T59.8Low69.6Low83 Ų8384.8 Ų84.851%0.50943%0.433SS..Hα-helixtrans-61.3-42.2178.6-580000110.1R281 D282 I287 S288 T289R281-T285 PolarHBondContact O-N 3.25Å; R281-T285 PolarHBondContact O-OG1 3.3Å; R281-T285 VanDerWaalsContact O-OG1 3.09Å; D282-T285 PolarHBondContact O-N 2.91Å; T285-I287 PolarHBondContact O-N 3.4Å; T285-S288 PolarHBondContact O-N 3.08Å; T285-T289 WeakPolarHBondContact O-CB 3.38Å; T285-T289 PolarHBondContact O-N 3.48Å; T285-T289 PolarHBondContact O-OG1 2.93Å
286F64Low69.3Low127 Ų12786.6 Ų86.656%0.55744%0.44SS*.Hα-helixtrans-58.1-49.7178.6179.1-103.9000113D282 T284 S288 T289 I290D282-F286 WeakPolarHBondContact O-CB 3.2Å; D282-F286 PolarHBondContact O-N 3.46Å; T284-F286 VanDerWaalsContact C-N 3.28Å; T284-F286 PolarHBondContact O-N 3.16Å; F286-S288 VanDerWaalsContact C-N 3.34Å; F286-S288 PolarHBondContact O-N 3.43Å; F286-T289 PolarHBondContact O-N 2.96Å; F286-I290 HydrophobicContact CD1-CD1 3.97Å; F286-I290 HydrophobicContact CD2-CD1 4.04Å; F286-I290 HydrophobicContact CD2-CG1 4.46Å; F286-I290 HydrophobicContact CE1-CD1 3.39Å; F286-I290 HydrophobicContact CE2-CD1 3.46Å; F286-I290 VanDerWaalsContact CE2-CD1 3.46Å; F286-I290 HydrophobicContact CE2-CG1 4.25Å; F286-I290 HydrophobicContact CG-CD1 4.28Å; F286-I290 HydrophobicContact CZ-CD1 3.12Å; F286-I290 HydrophobicContact CZ-CG1 4.31Å; F286-I290 WeakPolarHBondContact O-CB 3.49Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 3.19Å
287I69.8Low69.1Low34 Ų3483.6 Ų83.617%0.17443%0.428CS..Hα-helixtrans-62.8-41.5178.3-65.6-63.2000111.2K283 T284 T285 S291 I338 D342K283-I287 WeakPolarHBondContact O-CG1 3.35Å; K283-I287 PolarHBondContact O-N 3.14Å; T284-I287 PolarHBondContact O-N 3.32Å; T285-I287 PolarHBondContact O-N 3.4Å; I287-S291 VanDerWaalsContact O-CB 3.31Å; I287-S291 WeakPolarHBondContact O-CB 3.28Å; I287-S291 PolarHBondContact O-N 3.15Å; I287-I338 HydrophobicContact CD1-CG2 4.41Å; I287-I338 HydrophobicContact CG2-CG2 4.37Å; I287-D342 HydrophobicContact CG2-CB 3.92Å
288S65.4Low69.4Low73 Ų7380.1 Ų80.151%0.5141%0.412SS..Hα-helixtrans-65.5-41.8178.2-169.20000112.5T284 T285 F286 H292T284-S288 PolarHBondContact O-N 3.2Å; T285-S288 PolarHBondContact O-N 3.08Å; F286-S288 VanDerWaalsContact C-N 3.34Å; F286-S288 PolarHBondContact O-N 3.43Å; S288-H292 PolarHBondContact O-N 3.2Å
289T58.4Low69.8Low71 Ų7178.1 Ų78.144%0.43641%0.412SS..Hα-helixtrans-65.9-49.2177.6-60.40000110.5T285 F286 S291 H292 E293T285-T289 WeakPolarHBondContact O-CB 3.38Å; T285-T289 PolarHBondContact O-N 3.48Å; T285-T289 PolarHBondContact O-OG1 2.93Å; F286-T289 PolarHBondContact O-N 2.96Å; T289-S291 VanDerWaalsContact C-N 3.29Å; T289-S291 PolarHBondContact O-N 2.83Å; T289-H292 PolarHBondContact O-N 3.21Å; T289-H292 VanDerWaalsContact O-N 3.14Å; T289-E293 HydrophobicContact CG2-CG 4.07Å; T289-E293 WeakPolarHBondContact O-CB 3.44Å; T289-E293 VanDerWaalsContact O-CG 3.29Å; T289-E293 WeakPolarHBondContact O-CG 3.4Å; T289-E293 PolarHBondContact O-N 3.08Å
290I73.8Confident70.2Confident54 Ų5477.1 Ų77.128%0.27741%0.407SS..Hα-helixtrans-59.3-41.8178.9-74.9-173.1000111.7F286 H292 E293 L294 F335F286-I290 HydrophobicContact CD1-CD1 3.97Å; F286-I290 HydrophobicContact CD2-CD1 4.04Å; F286-I290 HydrophobicContact CD2-CG1 4.46Å; F286-I290 HydrophobicContact CE1-CD1 3.39Å; F286-I290 HydrophobicContact CE2-CD1 3.46Å; F286-I290 VanDerWaalsContact CE2-CD1 3.46Å; F286-I290 HydrophobicContact CE2-CG1 4.25Å; F286-I290 HydrophobicContact CG-CD1 4.28Å; F286-I290 HydrophobicContact CZ-CD1 3.12Å; F286-I290 HydrophobicContact CZ-CG1 4.31Å; F286-I290 WeakPolarHBondContact O-CB 3.49Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 3.19Å; I290-H292 VanDerWaalsContact C-N 3.35Å; I290-H292 PolarHBondContact O-N 2.96Å; I290-E293 PolarHBondContact O-N 3.16Å; I290-L294 HydrophobicContact CG2-CD1 3.45Å; I290-L294 VanDerWaalsContact CG2-CD1 3.45Å; I290-L294 HydrophobicContact CG2-CG 4.13Å; I290-L294 VanDerWaalsContact O-CB 3.3Å; I290-L294 WeakPolarHBondContact O-CB 3.42Å; I290-L294 WeakPolarHBondContact O-CG 3.44Å; I290-L294 PolarHBondContact O-N 3.11Å; I290-F335 HydrophobicContact CG2-CE1 4.26Å
291S69.1Low70.5Confident21 Ų2177.5 Ų77.515%0.14740%0.403CS..Hα-helixtrans-53.3-51.6174.7163.20000111.8I287 T289 L294 R295 I339I287-S291 VanDerWaalsContact O-CB 3.31Å; I287-S291 WeakPolarHBondContact O-CB 3.28Å; I287-S291 PolarHBondContact O-N 3.15Å; T289-S291 VanDerWaalsContact C-N 3.29Å; T289-S291 PolarHBondContact O-N 2.83Å; S291-L294 PolarHBondContact O-N 2.74Å; S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.46Å; S291-I339 WeakPolarHBondContact OG-CD1 3.35Å
292H70.3Confident70.9Confident96 Ų9672 Ų7244%0.44439%0.386SS..Hα-helixtrans-65.9-45-178.6-169.5-84.6000112.1S288 T289 I290 L294 T296S288-H292 PolarHBondContact O-N 3.2Å; T289-H292 PolarHBondContact O-N 3.21Å; T289-H292 VanDerWaalsContact O-N 3.14Å; I290-H292 VanDerWaalsContact C-N 3.35Å; I290-H292 PolarHBondContact O-N 2.96Å; H292-L294 VanDerWaalsContact C-N 3.3Å; H292-L294 PolarHBondContact O-N 2.75Å; H292-T296 PolarHBondContact O-N 2.8Å; H292-T296 PolarHBondContact O-OG1 3.35Å
293E74.1Confident71.2Confident120 Ų12068.5 Ų68.556%0.56138%0.375SS*.Hα-helixtrans-67.2-27.5-178.8-67.8-58.3138.400113T289 I290 P297T289-E293 HydrophobicContact CG2-CG 4.07Å; T289-E293 WeakPolarHBondContact O-CB 3.44Å; T289-E293 VanDerWaalsContact O-CG 3.29Å; T289-E293 WeakPolarHBondContact O-CG 3.4Å; T289-E293 PolarHBondContact O-N 3.08Å; I290-E293 PolarHBondContact O-N 3.16Å; E293-P297 WeakPolarHBondContact O-CD 3.3Å; E293-P297 VanDerWaalsContact O-CG 3.28Å; E293-P297 WeakPolarHBondContact O-CG 3.49Å
294L79Confident71.8Confident69 Ų6969.2 Ų69.236%0.36138%0.383SS..Hα-helixtrans-95.1-31.2178.2-66.3180000113.5I290 S291 H292 T296 P297 L298 F335I290-L294 HydrophobicContact CG2-CD1 3.45Å; I290-L294 VanDerWaalsContact CG2-CD1 3.45Å; I290-L294 HydrophobicContact CG2-CG 4.13Å; I290-L294 VanDerWaalsContact O-CB 3.3Å; I290-L294 WeakPolarHBondContact O-CB 3.42Å; I290-L294 WeakPolarHBondContact O-CG 3.44Å; I290-L294 PolarHBondContact O-N 3.11Å; S291-L294 PolarHBondContact O-N 2.74Å; H292-L294 VanDerWaalsContact C-N 3.3Å; H292-L294 PolarHBondContact O-N 2.75Å; L294-T296 VanDerWaalsContact C-N 3.33Å; L294-T296 PolarHBondContact O-N 3.28Å; L294-P297 VanDerWaalsContact O-CD 3.3Å; L294-P297 WeakPolarHBondContact O-CD 3.06Å; L294-P297 VanDerWaalsContact O-CG 3.31Å; L294-P297 WeakPolarHBondContact O-CG 3.34Å; L294-L298 VanDerWaalsContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 PolarHBondContact O-N 2.87Å; L294-F335 HydrophobicContact CB-CD2 4.28Å; L294-F335 HydrophobicContact CB-CE1 4.41Å; L294-F335 HydrophobicContact CB-CE2 3.95Å; L294-F335 HydrophobicContact CB-CZ 4.1Å; L294-F335 HydrophobicContact CD1-CD1 4.31Å; L294-F335 HydrophobicContact CD1-CE1 3.37Å; L294-F335 HydrophobicContact CD1-CE2 3.74Å; L294-F335 HydrophobicContact CD1-CZ 3.06Å; L294-F335 HydrophobicContact CG-CE2 4.44Å; L294-F335 HydrophobicContact CG-CZ 4.17Å
295R73.1Confident72.7Confident122 Ų12267.8 Ų67.846%0.4637%0.374SS..Hα-helixtrans-61.1-42.9174.9-178.6179.465.51472.3111.9S291 L298 N299S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.46Å; R295-L298 PolarHBondContact O-N 3.45Å; R295-N299 WeakPolarHBondContact O-CB 3.44Å; R295-N299 PolarHBondContact O-N 3.48Å
296T68.2Low73.4Confident80 Ų8071.4 Ų71.449%0.49138%0.378SS..Hα-helixtrans-59.4-54.8-176.7-52.70000113.1H292 L294 L298 N299 G300H292-T296 PolarHBondContact O-N 2.8Å; H292-T296 PolarHBondContact O-OG1 3.35Å; L294-T296 VanDerWaalsContact C-N 3.33Å; L294-T296 PolarHBondContact O-N 3.28Å; T296-L298 VanDerWaalsContact C-N 3.28Å; T296-L298 PolarHBondContact O-N 3.13Å; T296-N299 PolarHBondContact O-N 2.89Å; T296-G300 PolarHBondContact O-N 2.88Å
297P74.8Confident74.1Confident66 Ų6670.6 Ų70.643%0.42938%0.379SS..Hα-helixtrans-65.8-33.4176.825.6-34.4000112E293 L294 G300 I301E293-P297 WeakPolarHBondContact O-CD 3.3Å; E293-P297 VanDerWaalsContact O-CG 3.28Å; E293-P297 WeakPolarHBondContact O-CG 3.49Å; L294-P297 VanDerWaalsContact O-CD 3.3Å; L294-P297 WeakPolarHBondContact O-CD 3.06Å; L294-P297 VanDerWaalsContact O-CG 3.31Å; L294-P297 WeakPolarHBondContact O-CG 3.34Å; P297-G300 WeakPolarHBondContact O-CA 3.38Å; P297-G300 PolarHBondContact O-N 3.45Å; P297-G300 VanDerWaalsContact O-N 3.16Å; P297-I301 WeakPolarHBondContact O-CG1 3.29Å; P297-I301 PolarHBondContact O-N 2.76Å
298L81.9Confident74.7Confident12 Ų1273 Ų736%0.06339%0.392CS..Hα-helixtrans-64.8-44.6179.4-167.472.1000112.5L294 R295 T296 G300 I301 V302 A328 L331L294-L298 VanDerWaalsContact O-CB 3.23Å; L294-L298 WeakPolarHBondContact O-CB 3.34Å; L294-L298 PolarHBondContact O-N 2.87Å; R295-L298 PolarHBondContact O-N 3.45Å; T296-L298 VanDerWaalsContact C-N 3.28Å; T296-L298 PolarHBondContact O-N 3.13Å; L298-G300 PolarHBondContact O-N 3.02Å; L298-I301 PolarHBondContact O-N 3.42Å; L298-I301 VanDerWaalsContact O-N 3.07Å; L298-V302 WeakPolarHBondContact O-CG2 3.45Å; L298-V302 PolarHBondContact O-N 3.01Å; L298-A328 HydrophobicContact CD1-CB 3.79Å; L298-A328 WeakPolarHBondContact CD1-O 3.23Å; L298-A328 WeakPolarHBondContact CD2-O 3.48Å; L298-L331 HydrophobicContact CD1-CB 4.09Å; L298-L331 HydrophobicContact CD1-CD2 3.9Å; L298-L331 HydrophobicContact CD1-CG 4.21Å; L298-L331 HydrophobicContact CD2-CB 4.5Å
299N77.2Confident75.5Confident99 Ų9971.7 Ų71.753%0.52938%0.379SS..Hα-helixtrans-59.6-35.8173.5-74-6.2000111.1R295 T296 G303R295-N299 WeakPolarHBondContact O-CB 3.44Å; R295-N299 PolarHBondContact O-N 3.48Å; T296-N299 PolarHBondContact O-N 2.89Å; N299-G303 PolarHBondContact O-N 3.21Å
300G76.5Confident76.7Confident33 Ų3374.6 Ų74.634%0.3439%0.392SS..Hα-helixtrans-60.8-48170.400000112.9T296 P297 L298 G303 L304T296-G300 PolarHBondContact O-N 2.88Å; P297-G300 WeakPolarHBondContact O-CA 3.38Å; P297-G300 PolarHBondContact O-N 3.45Å; P297-G300 VanDerWaalsContact O-N 3.16Å; L298-G300 PolarHBondContact O-N 3.02Å; G300-G303 PolarHBondContact O-N 2.9Å; G300-L304 VanDerWaalsContact O-CB 3.3Å; G300-L304 WeakPolarHBondContact O-CB 3.44Å; G300-L304 VanDerWaalsContact O-CG 3.26Å; G300-L304 WeakPolarHBondContact O-CG 3.41Å; G300-L304 PolarHBondContact O-N 2.92Å
301I81.5Confident77.4Confident77 Ų7775.5 Ų75.540%0.39540%0.4SS..Hα-helixtrans-63.7-44.6178-63.8165.7000111P297 L298 S305 I324 A328P297-I301 WeakPolarHBondContact O-CG1 3.29Å; P297-I301 PolarHBondContact O-N 2.76Å; L298-I301 PolarHBondContact O-N 3.42Å; L298-I301 VanDerWaalsContact O-N 3.07Å; I301-S305 WeakPolarHBondContact O-CB 3.32Å; I301-S305 PolarHBondContact O-N 3.04Å; I301-S305 PolarHBondContact O-OG 2.98Å; I301-I324 HydrophobicContact CG2-CG2 3.71Å; I301-A328 HydrophobicContact CB-CB 4.24Å; I301-A328 HydrophobicContact CG2-CB 3.66Å
302V75.4Confident78.3Confident36 Ų3683.9 Ų83.922%0.21844%0.437CS..Hα-helixtrans-62.5-46177.3174.20000110.6L298 S305 R306 A328 V329L298-V302 WeakPolarHBondContact O-CG2 3.45Å; L298-V302 PolarHBondContact O-N 3.01Å; V302-S305 WeakPolarHBondContact CA-OG 3.48Å; V302-S305 PolarHBondContact O-OG 3.26Å; V302-R306 WeakPolarHBondContact O-CB 3.38Å; V302-R306 PolarHBondContact O-N 3.5Å; V302-A328 HydrophobicContact CG2-CB 3.62Å; V302-V329 HydrophobicContact CG1-CG2 4.24Å; V302-V329 HydrophobicContact CG2-CG2 4.06Å
303G70.6Confident79.2Confident32 Ų3281.6 Ų81.633%0.3343%0.427SS..Hα-helixtrans-63.6-52.2178.400000112.7N299 G300 S305 R306 I307N299-G303 PolarHBondContact O-N 3.21Å; G300-G303 PolarHBondContact O-N 2.9Å; G303-S305 PolarHBondContact O-N 2.84Å; G303-R306 PolarHBondContact O-N 3.22Å; G303-I307 VanDerWaalsContact O-CG1 3.32Å; G303-I307 WeakPolarHBondContact O-CG1 3.32Å; G303-I307 PolarHBondContact O-N 3.3Å
304L82.5Confident80.1Confident114 Ų11479.7 Ų79.760%0.59742%0.424SS*.Hα-helixtrans-64.5-41179.8-69.9170.9000112.3G300 R306 I307 L308G300-L304 VanDerWaalsContact O-CB 3.3Å; G300-L304 WeakPolarHBondContact O-CB 3.44Å; G300-L304 VanDerWaalsContact O-CG 3.26Å; G300-L304 WeakPolarHBondContact O-CG 3.41Å; G300-L304 PolarHBondContact O-N 2.92Å; L304-R306 VanDerWaalsContact C-N 3.31Å; L304-R306 PolarHBondContact O-N 3.1Å; L304-I307 PolarHBondContact O-N 3.32Å; L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 2.93Å
305S82.1Confident80.5Confident4 Ų480.5 Ų80.53%0.02844%0.44CS..Hα-helixtrans-63.5-39176.658.90000111.7I301 V302 G303 L308 L309 H325I301-S305 WeakPolarHBondContact O-CB 3.32Å; I301-S305 PolarHBondContact O-N 3.04Å; I301-S305 PolarHBondContact O-OG 2.98Å; V302-S305 WeakPolarHBondContact CA-OG 3.48Å; V302-S305 PolarHBondContact O-OG 3.26Å; G303-S305 PolarHBondContact O-N 2.84Å; S305-L308 PolarHBondContact O-N 3.43Å; S305-L309 VanDerWaalsContact O-CG 3.28Å; S305-L309 WeakPolarHBondContact O-CG 3.06Å; S305-L309 PolarHBondContact O-N 2.97Å; S305-H325 PolarHBondContact OG-ND1 3.23Å; S305-H325 VanDerWaalsContact OG-ND1 3.1Å
306R73.6Confident81.3Confident159 Ų15980.2 Ų80.260%0.644%0.444SS*.Hα-helixtrans-66.6-46176-173.1152.1179.9161.4-3.7112.1V302 G303 L304 L308 L309 D310V302-R306 WeakPolarHBondContact O-CB 3.38Å; V302-R306 PolarHBondContact O-N 3.5Å; G303-R306 PolarHBondContact O-N 3.22Å; L304-R306 VanDerWaalsContact C-N 3.31Å; L304-R306 PolarHBondContact O-N 3.1Å; R306-L308 VanDerWaalsContact C-N 3.29Å; R306-L308 PolarHBondContact O-N 3.02Å; R306-L309 WeakPolarHBondContact O-CB 3.14Å; R306-L309 PolarHBondContact O-N 3.07Å; R306-L309 VanDerWaalsContact O-N 3.15Å; R306-D310 PolarHBondContact O-N 3.44Å
307I77.9Confident82.3Confident111 Ų11180.8 Ų80.857%0.56944%0.442SS*.Hα-helixtrans-57.8-43.5175.6-67.6164.9000110.9G303 L304 D310G303-I307 VanDerWaalsContact O-CG1 3.32Å; G303-I307 WeakPolarHBondContact O-CG1 3.32Å; G303-I307 PolarHBondContact O-N 3.3Å; L304-I307 PolarHBondContact O-N 3.32Å; I307-D310 PolarHBondContact O-N 3.07Å
308L83.5Confident82.8Confident84 Ų8481.3 Ų81.344%0.4444%0.438SS..Hα-helixtrans-67.6-35.7178.6-72.8171.2000112.6L304 S305 R306 D310 T311 L313 L321L304-L308 WeakPolarHBondContact O-CB 3.49Å; L304-L308 WeakPolarHBondContact O-CG 3.27Å; L304-L308 PolarHBondContact O-N 2.93Å; S305-L308 PolarHBondContact O-N 3.43Å; R306-L308 VanDerWaalsContact C-N 3.29Å; R306-L308 PolarHBondContact O-N 3.02Å; L308-D310 PolarHBondContact O-N 2.79Å; L308-T311 PolarHBondContact O-N 2.92Å; L308-T311 VanDerWaalsContact O-N 3.08Å; L308-T311 PolarHBondContact O-OG1 2.9Å; L308-L313 VanDerWaalsContact O-CD1 3.31Å; L308-L313 WeakPolarHBondContact O-CD1 3.44Å; L308-L321 HydrophobicContact CB-CD1 3.62Å; L308-L321 HydrophobicContact CB-CD2 3.79Å; L308-L321 HydrophobicContact CB-CG 4.37Å; L308-L321 HydrophobicContact CD1-CD2 3.78Å; L308-L321 HydrophobicContact CG-CD2 4.45Å
309L82Confident82.6Confident45 Ų4587.6 Ų87.624%0.23647%0.465CS..Hα-helixtrans-62.2-23.6175.6-77.4167.7000113.3S305 R306 T311 L313 E318 L321 K322 H325S305-L309 VanDerWaalsContact O-CG 3.28Å; S305-L309 WeakPolarHBondContact O-CG 3.06Å; S305-L309 PolarHBondContact O-N 2.97Å; R306-L309 WeakPolarHBondContact O-CB 3.14Å; R306-L309 PolarHBondContact O-N 3.07Å; R306-L309 VanDerWaalsContact O-N 3.15Å; L309-T311 VanDerWaalsContact C-N 3.29Å; L309-L313 HydrophobicContact CD2-CD1 4.34Å; L309-E318 HydrophobicContact CD2-CG 4.14Å; L309-L321 HydrophobicContact CD2-CB 3.59Å; L309-L321 HydrophobicContact CG-CB 3.9Å; L309-K322 HydrophobicContact CD1-CG 4.41Å; L309-K322 HydrophobicContact CD2-CG 3.8Å; L309-H325 HydrophobicContact CD1-CB 4.27Å
310D84.1Confident83Confident133 Ų13389.2 Ų89.271%0.71147%0.465SS*.THydrogen-bonded Turntrans-864.2176.9-62.3-27.3000113R306 I307 L308R306-D310 PolarHBondContact O-N 3.44Å; I307-D310 PolarHBondContact O-N 3.07Å; L308-D310 PolarHBondContact O-N 2.79Å
311T87.7Confident83.2Confident72 Ų7288.6 Ų88.644%0.44245%0.454SS..SBendtrans-101.4171.6178.668.70000113L308 L309 L313L308-T311 PolarHBondContact O-N 2.92Å; L308-T311 VanDerWaalsContact O-N 3.08Å; L308-T311 PolarHBondContact O-OG1 2.9Å; L309-T311 VanDerWaalsContact C-N 3.29Å; T311-L313 PolarHBondContact O-N 3.33Å
312E87.3Confident83.1Confident198 Ų19890 Ų9093%0.92546%0.457SS*.  trans-68.8111.7172-71.3-172.3176.300110.9
313L90.6Very high83Confident48 Ų4892.1 Ų92.125%0.25147%0.47SS..  trans-123.5148.2-177.3-62.9171.6000111.2L308 L309 T311 Q317 E318 L321L308-L313 VanDerWaalsContact O-CD1 3.31Å; L308-L313 WeakPolarHBondContact O-CD1 3.44Å; L309-L313 HydrophobicContact CD2-CD1 4.34Å; T311-L313 PolarHBondContact O-N 3.33Å; L313-Q317 HydrophobicContact CB-CB 4.2Å; L313-Q317 HydrophobicContact CD2-CB 4.08Å; L313-E318 HydrophobicContact CB-CB 4.3Å; L313-E318 HydrophobicContact CD1-CB 4.25Å; L313-L321 HydrophobicContact CD1-CD1 3.49Å; L313-L321 VanDerWaalsContact CD1-CD1 3.49Å; L313-L321 HydrophobicContact CD2-CD1 3.79Å; L313-L321 HydrophobicContact CG-CD1 4.3Å
314T92.9Very high83.5Confident80 Ų8094.6 Ų94.649%0.49147%0.474SS..  trans-69.6155162.262.50000110.3E316 Q317 E318T314-E316 PolarHBondContact O-N 3.07Å; T314-E316 VanDerWaalsContact O-N 3.09Å; T314-Q317 PolarHBondContact O-N 3.22Å; T314-Q317 VanDerWaalsContact OG1-CD 3.27Å; T314-Q317 VanDerWaalsContact OG1-CG 3.24Å; T314-Q317 WeakPolarHBondContact OG1-CG 3.23Å; T314-Q317 PolarHBondContact OG1-N 3.22Å; T314-Q317 PolarHBondContact OG1-OE1 3.22Å; T314-E318 PolarHBondContact O-N 3.26Å
315A88.1Confident83.3Confident85 Ų8591 Ų9170%0.70245%0.454SS*.Hα-helixtrans-55.2-31.6178.400000113.2K319A315-K319 WeakPolarHBondContact O-CB 3.39Å; A315-K319 PolarHBondContact O-N 2.92Å
316E88.4Confident82.9Confident116 Ų11694.9 Ų94.954%0.54248%0.478SS..Hα-helixtrans-72.5-43.4176.8-151.3-174.1159.400111.9T314 K319 Y320T314-E316 PolarHBondContact O-N 3.07Å; T314-E316 VanDerWaalsContact O-N 3.09Å; E316-K319 WeakPolarHBondContact O-CB 3.44Å; E316-K319 PolarHBondContact O-N 2.99Å; E316-Y320 HydrophobicContact CB-CE2 4.43Å; E316-Y320 HydrophobicContact CG-CD2 4.3Å; E316-Y320 HydrophobicContact CG-CE2 3.55Å; E316-Y320 WeakPolarHBondContact O-CD2 3.19Å; E316-Y320 PolarHBondContact O-N 3.24Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.29Å; E316-Y320 PolarHBondContact OE1-OH 2.98Å
317Q90.6Very high82.9Confident93 Ų9390.7 Ų90.744%0.43547%0.473SS..Hα-helixtrans-64.2-43.6176.2-72.6166.2-44.100112.1L313 T314 K319 Y320 L321L313-Q317 HydrophobicContact CB-CB 4.2Å; L313-Q317 HydrophobicContact CD2-CB 4.08Å; T314-Q317 PolarHBondContact O-N 3.22Å; T314-Q317 VanDerWaalsContact OG1-CD 3.27Å; T314-Q317 VanDerWaalsContact OG1-CG 3.24Å; T314-Q317 WeakPolarHBondContact OG1-CG 3.23Å; T314-Q317 PolarHBondContact OG1-N 3.22Å; T314-Q317 PolarHBondContact OG1-OE1 3.22Å; Q317-K319 VanDerWaalsContact C-N 3.3Å; Q317-K319 PolarHBondContact O-N 3.21Å; Q317-Y320 PolarHBondContact O-N 2.81Å; Q317-L321 WeakPolarHBondContact O-CB 3.49Å; Q317-L321 PolarHBondContact O-N 3.3Å
318E85.1Confident82.9Confident76 Ų7685.7 Ų85.736%0.35545%0.448SS..Hα-helixtrans-58.7-44175.8-169.3-164.915400110.8L309 L313 T314 Y320 L321 K322L309-E318 HydrophobicContact CD2-CG 4.14Å; L313-E318 HydrophobicContact CB-CB 4.3Å; L313-E318 HydrophobicContact CD1-CB 4.25Å; T314-E318 PolarHBondContact O-N 3.26Å; E318-Y320 PolarHBondContact O-N 3.13Å; E318-L321 PolarHBondContact O-N 3.18Å; E318-K322 HydrophobicContact CG-CD 4.31Å; E318-K322 WeakPolarHBondContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.3Å; E318-K322 PolarHBondContact O-N 3.26Å; E318-K322 WeakPolarHBondContact OE1-CE 3.3Å; E318-K322 IonicContact OE1-NZ 2.61Å; E318-K322 PolarHBondContact OE1-NZ 3.44Å
319K77.5Confident82.4Confident145 Ų14584.3 Ų84.363%0.6344%0.443SS*.Hα-helixtrans-61.2-44.3175.7-175.6-178.6179.4-1780112.2A315 E316 Q317 T323A315-K319 WeakPolarHBondContact O-CB 3.39Å; A315-K319 PolarHBondContact O-N 2.92Å; E316-K319 WeakPolarHBondContact O-CB 3.44Å; E316-K319 PolarHBondContact O-N 2.99Å; Q317-K319 VanDerWaalsContact C-N 3.3Å; Q317-K319 PolarHBondContact O-N 3.21Å; K319-T323 WeakPolarHBondContact O-CB 3.31Å; K319-T323 PolarHBondContact O-N 3.22Å; K319-T323 VanDerWaalsContact O-N 3.08Å; K319-T323 PolarHBondContact O-OG1 2.86Å
320Y84.4Confident81.7Confident133 Ų13384.9 Ų84.952%0.52245%0.448SS..Hα-helixtrans-64.2-45.1176.7-67.7-43.6000111.8E316 Q317 E318 T323 I324E316-Y320 HydrophobicContact CB-CE2 4.43Å; E316-Y320 HydrophobicContact CG-CD2 4.3Å; E316-Y320 HydrophobicContact CG-CE2 3.55Å; E316-Y320 WeakPolarHBondContact O-CD2 3.19Å; E316-Y320 PolarHBondContact O-N 3.24Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.29Å; E316-Y320 PolarHBondContact OE1-OH 2.98Å; Q317-Y320 PolarHBondContact O-N 2.81Å; E318-Y320 PolarHBondContact O-N 3.13Å; Y320-T323 WeakPolarHBondContact O-CB 3.35Å; Y320-T323 PolarHBondContact O-N 2.85Å; Y320-T323 VanDerWaalsContact O-N 3.16Å; Y320-I324 WeakPolarHBondContact O-CG1 3.48Å; Y320-I324 PolarHBondContact O-N 2.93Å
321L82.4Confident81.3Confident20 Ų2082.1 Ų82.111%0.10543%0.434CS..Hα-helixtrans-65.3-42.5179.1-83.1164.5000112.7L308 L309 L313 Q317 E318 T323 I324 H325L308-L321 HydrophobicContact CB-CD1 3.62Å; L308-L321 HydrophobicContact CB-CD2 3.79Å; L308-L321 HydrophobicContact CB-CG 4.37Å; L308-L321 HydrophobicContact CD1-CD2 3.78Å; L308-L321 HydrophobicContact CG-CD2 4.45Å; L309-L321 HydrophobicContact CD2-CB 3.59Å; L309-L321 HydrophobicContact CG-CB 3.9Å; L313-L321 HydrophobicContact CD1-CD1 3.49Å; L313-L321 VanDerWaalsContact CD1-CD1 3.49Å; L313-L321 HydrophobicContact CD2-CD1 3.79Å; L313-L321 HydrophobicContact CG-CD1 4.3Å; Q317-L321 WeakPolarHBondContact O-CB 3.49Å; Q317-L321 PolarHBondContact O-N 3.3Å; E318-L321 PolarHBondContact O-N 3.18Å; L321-T323 PolarHBondContact O-N 3.39Å; L321-I324 PolarHBondContact O-N 3.27Å; L321-H325 WeakPolarHBondContact O-CB 3.45Å; L321-H325 PolarHBondContact O-N 2.83Å
322K78.7Confident80.6Confident107 Ų10779.3 Ų79.347%0.46542%0.418SS..Hα-helixtrans-56.7-41.9171.7-78.9178.5170.2171.80111.1L309 E318 H325 V326L309-K322 HydrophobicContact CD1-CG 4.41Å; L309-K322 HydrophobicContact CD2-CG 3.8Å; E318-K322 HydrophobicContact CG-CD 4.31Å; E318-K322 WeakPolarHBondContact O-CB 3.32Å; E318-K322 WeakPolarHBondContact O-CG 3.3Å; E318-K322 PolarHBondContact O-N 3.26Å; E318-K322 WeakPolarHBondContact OE1-CE 3.3Å; E318-K322 IonicContact OE1-NZ 2.61Å; E318-K322 PolarHBondContact OE1-NZ 3.44Å; K322-H325 PolarHBondContact O-N 2.87Å; K322-V326 WeakPolarHBondContact O-CB 3.34Å; K322-V326 VanDerWaalsContact O-CG2 3.25Å; K322-V326 WeakPolarHBondContact O-CG2 3.41Å; K322-V326 PolarHBondContact O-N 2.95Å
323T72.4Confident79.7Confident79 Ų7973.2 Ų73.249%0.48539%0.392SS..Hα-helixtrans-66.4-43.3178-54.60000112K319 Y320 L321 S327K319-T323 WeakPolarHBondContact O-CB 3.31Å; K319-T323 PolarHBondContact O-N 3.22Å; K319-T323 VanDerWaalsContact O-N 3.08Å; K319-T323 PolarHBondContact O-OG1 2.86Å; Y320-T323 WeakPolarHBondContact O-CB 3.35Å; Y320-T323 PolarHBondContact O-N 2.85Å; Y320-T323 VanDerWaalsContact O-N 3.16Å; L321-T323 PolarHBondContact O-N 3.39Å; T323-S327 VanDerWaalsContact O-CB 3.31Å; T323-S327 WeakPolarHBondContact O-CB 3.22Å; T323-S327 PolarHBondContact O-N 3.38Å; T323-S327 PolarHBondContact O-OG 3.46Å
324I81.4Confident78.5Confident84 Ų8473.3 Ų73.343%0.43139%0.393SS..Hα-helixtrans-60.9-48.3175.5-69.3166.5000110.2I301 Y320 L321 S327 A328I301-I324 HydrophobicContact CG2-CG2 3.71Å; Y320-I324 WeakPolarHBondContact O-CG1 3.48Å; Y320-I324 PolarHBondContact O-N 2.93Å; L321-I324 PolarHBondContact O-N 3.27Å; I324-S327 PolarHBondContact O-N 3.5Å; I324-A328 WeakPolarHBondContact O-CB 3.3Å; I324-A328 PolarHBondContact O-N 2.84Å
325H78.4Confident77.5Confident38 Ų3871.3 Ų71.318%0.17638%0.377CS..Hα-helixtrans-59-51.3-179.8-174.878.5000111.3S305 L309 L321 K322 S327 A328 V329S305-H325 PolarHBondContact OG-ND1 3.23Å; S305-H325 VanDerWaalsContact OG-ND1 3.1Å; L309-H325 HydrophobicContact CD1-CB 4.27Å; L321-H325 WeakPolarHBondContact O-CB 3.45Å; L321-H325 PolarHBondContact O-N 2.83Å; K322-H325 PolarHBondContact O-N 2.87Å; H325-S327 VanDerWaalsContact C-N 3.31Å; H325-S327 PolarHBondContact O-N 3.5Å; H325-A328 PolarHBondContact O-N 3.25Å; H325-V329 WeakPolarHBondContact O-CG2 3.26Å; H325-V329 PolarHBondContact O-N 2.88Å
326V73.1Confident76.7Confident87 Ų8771.2 Ų71.253%0.52737%0.365SS..Hα-helixtrans-60.5-41.6177.6170.50000111.3K322 A328 T330K322-V326 WeakPolarHBondContact O-CB 3.34Å; K322-V326 VanDerWaalsContact O-CG2 3.25Å; K322-V326 WeakPolarHBondContact O-CG2 3.41Å; K322-V326 PolarHBondContact O-N 2.95Å; V326-A328 PolarHBondContact O-N 3.14Å; V326-T330 VanDerWaalsContact O-CB 3.29Å; V326-T330 WeakPolarHBondContact O-CB 3.29Å; V326-T330 PolarHBondContact O-N 3.35Å; V326-T330 PolarHBondContact O-OG1 2.68Å
327S74.1Confident75.7Confident70 Ų7067.1 Ų67.149%0.4935%0.347SS..Hα-helixtrans-64.8-41178.8-58.30000111.8T323 I324 H325 T330 L331T323-S327 VanDerWaalsContact O-CB 3.31Å; T323-S327 WeakPolarHBondContact O-CB 3.22Å; T323-S327 PolarHBondContact O-N 3.38Å; T323-S327 PolarHBondContact O-OG 3.46Å; I324-S327 PolarHBondContact O-N 3.5Å; H325-S327 VanDerWaalsContact C-N 3.31Å; H325-S327 PolarHBondContact O-N 3.5Å; S327-T330 PolarHBondContact O-N 3.25Å; S327-L331 WeakPolarHBondContact O-CB 3.42Å; S327-L331 PolarHBondContact O-N 3.41Å
328A79.1Confident74.8Confident6 Ų664.8 Ų64.85%0.0534%0.337CS..Hα-helixtrans-67.8-47.9178.100000111.5L298 I301 V302 I324 H325 V326 T330 L331 G332L298-A328 HydrophobicContact CD1-CB 3.79Å; L298-A328 WeakPolarHBondContact CD1-O 3.23Å; L298-A328 WeakPolarHBondContact CD2-O 3.48Å; I301-A328 HydrophobicContact CB-CB 4.24Å; I301-A328 HydrophobicContact CG2-CB 3.66Å; V302-A328 HydrophobicContact CG2-CB 3.62Å; I324-A328 WeakPolarHBondContact O-CB 3.3Å; I324-A328 PolarHBondContact O-N 2.84Å; H325-A328 PolarHBondContact O-N 3.25Å; V326-A328 PolarHBondContact O-N 3.14Å; A328-T330 VanDerWaalsContact C-N 3.29Å; A328-T330 PolarHBondContact O-N 3.38Å; A328-L331 PolarHBondContact O-N 3.36Å; A328-G332 PolarHBondContact O-N 3.43Å
329V72.7Confident74.3Confident55 Ų5562.3 Ų62.333%0.33333%0.326SS..Hα-helixtrans-58.6-43.9174.8172.80000110.8V302 H325 L331 G332 N333V302-V329 HydrophobicContact CG1-CG2 4.24Å; V302-V329 HydrophobicContact CG2-CG2 4.06Å; H325-V329 WeakPolarHBondContact O-CG2 3.26Å; H325-V329 PolarHBondContact O-N 2.88Å; V329-L331 PolarHBondContact O-N 3.5Å; V329-G332 PolarHBondContact O-N 3.09Å; V329-N333 PolarHBondContact O-N 3.15Å
330T65.7Low73.8Confident57 Ų5756.7 Ų56.735%0.3530%0.303SS..Hα-helixtrans-58.2-51.2176.7-58.10000110.5V326 S327 A328 G332 N333 I334V326-T330 VanDerWaalsContact O-CB 3.29Å; V326-T330 WeakPolarHBondContact O-CB 3.29Å; V326-T330 PolarHBondContact O-N 3.35Å; V326-T330 PolarHBondContact O-OG1 2.68Å; S327-T330 PolarHBondContact O-N 3.25Å; A328-T330 VanDerWaalsContact C-N 3.29Å; A328-T330 PolarHBondContact O-N 3.38Å; T330-G332 PolarHBondContact O-N 2.94Å; T330-N333 WeakPolarHBondContact O-CB 3.4Å; T330-N333 PolarHBondContact O-N 3.37Å; T330-N333 VanDerWaalsContact O-N 3.09Å; T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.25Å; T330-I334 PolarHBondContact O-N 3.07Å
331L76.1Confident72.9Confident76 Ų7651.5 Ų51.540%0.39828%0.283SS..Hα-helixtrans-58-35.5178.8-176.760.6000112.2L298 S327 A328 V329 I334 F335L298-L331 HydrophobicContact CD1-CB 4.09Å; L298-L331 HydrophobicContact CD1-CD2 3.9Å; L298-L331 HydrophobicContact CD1-CG 4.21Å; L298-L331 HydrophobicContact CD2-CB 4.5Å; S327-L331 WeakPolarHBondContact O-CB 3.42Å; S327-L331 PolarHBondContact O-N 3.41Å; A328-L331 PolarHBondContact O-N 3.36Å; V329-L331 PolarHBondContact O-N 3.5Å; L331-I334 WeakPolarHBondContact O-CB 3.31Å; L331-I334 PolarHBondContact O-N 2.94Å; L331-F335 HydrophobicContact CD1-CD2 4.06Å; L331-F335 HydrophobicContact CD1-CE2 3.45Å; L331-F335 VanDerWaalsContact CD1-CE2 3.45Å; L331-F335 HydrophobicContact CD1-CZ 4.17Å; L331-F335 HydrophobicContact CD2-CE2 4.19Å; L331-F335 HydrophobicContact CG-CD2 3.96Å; L331-F335 HydrophobicContact CG-CE2 3.6Å; L331-F335 WeakPolarHBondContact O-CD2 3.26Å; L331-F335 PolarHBondContact O-N 3.2Å
332G73.2Confident72.3Confident12 Ų1251 Ų5112%0.12428%0.281CS..Hα-helixtrans-65.3-42.4176.100000112.6A328 V329 T330 I334 F335 N336A328-G332 PolarHBondContact O-N 3.43Å; V329-G332 PolarHBondContact O-N 3.09Å; T330-G332 PolarHBondContact O-N 2.94Å; G332-I334 VanDerWaalsContact C-N 3.35Å; G332-F335 PolarHBondContact O-N 3Å; G332-N336 PolarHBondContact O-N 3.08Å
333N68.4Low71.8Confident70 Ų7051.6 Ų51.637%0.37428%0.283SS..Hα-helixtrans-63.3-41.3174-64.4-17.3000111.1V329 T330 F335 N336 D337V329-N333 PolarHBondContact O-N 3.15Å; T330-N333 WeakPolarHBondContact O-CB 3.4Å; T330-N333 PolarHBondContact O-N 3.37Å; T330-N333 VanDerWaalsContact O-N 3.09Å; N333-F335 VanDerWaalsContact C-N 3.3Å; N333-F335 PolarHBondContact O-N 3.2Å; N333-N336 PolarHBondContact O-N 2.94Å; N333-D337 WeakPolarHBondContact O-CB 3.27Å; N333-D337 VanDerWaalsContact O-CG 3.27Å; N333-D337 PolarHBondContact O-N 3.13Å
334I65.8Low71.4Confident51 Ų5148.3 Ų48.326%0.26226%0.263SS..Hα-helixtrans-57.1-45.2174.2-52.1-166.6000111.1T330 L331 G332 D337 I338 T469T330-I334 VanDerWaalsContact O-CG1 3.28Å; T330-I334 WeakPolarHBondContact O-CG1 3.25Å; T330-I334 PolarHBondContact O-N 3.07Å; L331-I334 WeakPolarHBondContact O-CB 3.31Å; L331-I334 PolarHBondContact O-N 2.94Å; G332-I334 VanDerWaalsContact C-N 3.35Å; I334-D337 PolarHBondContact O-N 2.99Å; I334-I338 HydrophobicContact CG2-CD1 3.96Å; I334-I338 WeakPolarHBondContact O-CG1 3.37Å; I334-I338 PolarHBondContact O-N 2.82Å; I334-T469 HydrophobicContact CB-CG2 3.81Å; I334-T469 HydrophobicContact CD1-CG2 3.57Å; I334-T469 HydrophobicContact CG1-CG2 3.29Å; I334-T469 HydrophobicContact CG2-CG2 3.65Å
335F72.6Confident70.7Confident38 Ų3849.1 Ų49.117%0.16726%0.264CS..Hα-helixtrans-66.2-43.7179.4-81.1-60.7000112.5I290 L294 L331 G332 N333 D337 I338 I339I290-F335 HydrophobicContact CG2-CE1 4.26Å; L294-F335 HydrophobicContact CB-CD2 4.28Å; L294-F335 HydrophobicContact CB-CE1 4.41Å; L294-F335 HydrophobicContact CB-CE2 3.95Å; L294-F335 HydrophobicContact CB-CZ 4.1Å; L294-F335 HydrophobicContact CD1-CD1 4.31Å; L294-F335 HydrophobicContact CD1-CE1 3.37Å; L294-F335 HydrophobicContact CD1-CE2 3.74Å; L294-F335 HydrophobicContact CD1-CZ 3.06Å; L294-F335 HydrophobicContact CG-CE2 4.44Å; L294-F335 HydrophobicContact CG-CZ 4.17Å; L331-F335 HydrophobicContact CD1-CD2 4.06Å; L331-F335 HydrophobicContact CD1-CE2 3.45Å; L331-F335 VanDerWaalsContact CD1-CE2 3.45Å; L331-F335 HydrophobicContact CD1-CZ 4.17Å; L331-F335 HydrophobicContact CD2-CE2 4.19Å; L331-F335 HydrophobicContact CG-CD2 3.96Å; L331-F335 HydrophobicContact CG-CE2 3.6Å; L331-F335 WeakPolarHBondContact O-CD2 3.26Å; L331-F335 PolarHBondContact O-N 3.2Å; G332-F335 PolarHBondContact O-N 3Å; N333-F335 VanDerWaalsContact C-N 3.3Å; N333-F335 PolarHBondContact O-N 3.2Å; F335-D337 VanDerWaalsContact C-N 3.3Å; F335-D337 PolarHBondContact O-N 3.07Å; F335-I338 PolarHBondContact O-N 3.15Å; F335-I339 WeakPolarHBondContact O-CD1 3.45Å; F335-I339 WeakPolarHBondContact O-CG1 3.36Å; F335-I339 PolarHBondContact O-N 2.92Å
336N69.9Low70Confident82 Ų8252.1 Ų52.144%0.43927%0.274SS..Hα-helixtrans-59.2-42.7175.2-73.3-21.8000111.5G332 N333 I338 I339 D340G332-N336 PolarHBondContact O-N 3.08Å; N333-N336 PolarHBondContact O-N 2.94Å; N336-I338 PolarHBondContact O-N 3.06Å; N336-I339 PolarHBondContact O-N 3.4Å; N336-D340 WeakPolarHBondContact O-CB 3.18Å; N336-D340 PolarHBondContact O-N 3.35Å
337D68.5Low69.1Low31 Ų3157.3 Ų57.317%0.16628%0.284CS..Hα-helixtrans-61.1-42.8175.7-71.4-10.5000112.3N333 I334 F335 I339 D340 M341 I471N333-D337 WeakPolarHBondContact O-CB 3.27Å; N333-D337 VanDerWaalsContact O-CG 3.27Å; N333-D337 PolarHBondContact O-N 3.13Å; I334-D337 PolarHBondContact O-N 2.99Å; F335-D337 VanDerWaalsContact C-N 3.3Å; F335-D337 PolarHBondContact O-N 3.07Å; D337-I339 VanDerWaalsContact C-N 3.35Å; D337-D340 PolarHBondContact O-N 3.35Å; D337-M341 VanDerWaalsContact O-CB 3.3Å; D337-M341 WeakPolarHBondContact O-CB 3.4Å; D337-M341 PolarHBondContact O-N 3.18Å; D337-I471 HydrophobicContact CB-CB 4.34Å; D337-I471 HydrophobicContact CB-CG2 3.94Å
338I71.9Confident68.3Low43 Ų4363.4 Ų63.422%0.22130%0.302CS..Hα-helixtrans-65-39.6177.6-69.6169.1000111.1I287 I334 F335 N336 D342 I471I287-I338 HydrophobicContact CD1-CG2 4.41Å; I287-I338 HydrophobicContact CG2-CG2 4.37Å; I334-I338 HydrophobicContact CG2-CD1 3.96Å; I334-I338 WeakPolarHBondContact O-CG1 3.37Å; I334-I338 PolarHBondContact O-N 2.82Å; F335-I338 PolarHBondContact O-N 3.15Å; N336-I338 PolarHBondContact O-N 3.06Å; I338-D342 WeakPolarHBondContact O-CB 3.4Å; I338-D342 PolarHBondContact O-N 2.82Å; I338-I471 HydrophobicContact CG1-CD1 4.14Å
339I73Confident67.5Low25 Ų2564.6 Ų64.613%0.12831%0.308CS..Hα-helixtrans-67.7-46.5177.5-64.4154.1000110.4S291 F335 N336 D337 M341 D342 K343S291-I339 WeakPolarHBondContact OG-CD1 3.35Å; F335-I339 WeakPolarHBondContact O-CD1 3.45Å; F335-I339 WeakPolarHBondContact O-CG1 3.36Å; F335-I339 PolarHBondContact O-N 2.92Å; N336-I339 PolarHBondContact O-N 3.4Å; D337-I339 VanDerWaalsContact C-N 3.35Å; I339-M341 VanDerWaalsContact C-N 3.31Å; I339-M341 PolarHBondContact O-N 3.24Å; I339-D342 PolarHBondContact O-N 2.94Å; I339-K343 HydrophobicContact CG2-CD 4.18Å; I339-K343 HydrophobicContact CG2-CG 4.44Å; I339-K343 WeakPolarHBondContact O-CB 3.37Å; I339-K343 WeakPolarHBondContact O-CG 3.48Å; I339-K343 PolarHBondContact O-N 3.28Å
340D67.7Low67.3Low27 Ų2770.5 Ų70.514%0.14433%0.333CS..Hα-helixtrans-59.8-45.8177.1-81.7-5.3000109.4N336 D337 D342 K343 M344 R398 Q401N336-D340 WeakPolarHBondContact O-CB 3.18Å; N336-D340 PolarHBondContact O-N 3.35Å; D337-D340 PolarHBondContact O-N 3.35Å; D340-D342 PolarHBondContact O-N 3.44Å; D340-K343 PolarHBondContact O-N 3.34Å; D340-M344 WeakPolarHBondContact O-CG 3.34Å; D340-M344 PolarHBondContact O-N 2.92Å; D340-R398 IonicContact OD2-NH1 3.31Å; D340-Q401 PolarHBondContact OD2-NE2 3.1Å
341M65.7Low67.9Low24 Ų2469.7 Ų69.712%0.11833%0.326CS..Hα-helixtrans-54.8-49.4174-178.8-161.274.400112.5D337 I339 M344 E345 M453D337-M341 VanDerWaalsContact O-CB 3.3Å; D337-M341 WeakPolarHBondContact O-CB 3.4Å; D337-M341 PolarHBondContact O-N 3.18Å; I339-M341 VanDerWaalsContact C-N 3.31Å; I339-M341 PolarHBondContact O-N 3.24Å; M341-M344 WeakPolarHBondContact O-CB 3.37Å; M341-M344 PolarHBondContact O-N 3.43Å; M341-E345 PolarHBondContact O-N 3.03Å; M341-M453 HydrophobicContact SD-SD 4.2Å
342D70.6Confident68.1Low9 Ų970.6 Ų70.65%0.04833%0.331CS..Hα-helixtrans-65.6-39-180164.188.6000112I287 I338 I339 D340 M344 E345 R346I287-D342 HydrophobicContact CG2-CB 3.92Å; I338-D342 WeakPolarHBondContact O-CB 3.4Å; I338-D342 PolarHBondContact O-N 2.82Å; I339-D342 PolarHBondContact O-N 2.94Å; D340-D342 PolarHBondContact O-N 3.44Å; D342-M344 VanDerWaalsContact C-N 3.33Å; D342-M344 PolarHBondContact O-N 3.1Å; D342-E345 PolarHBondContact O-N 3.44Å; D342-R346 VanDerWaalsContact CG-NE 3.34Å; D342-R346 VanDerWaalsContact O-CG 3.3Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.96Å; D342-R346 IonicContact OD1-CZ 3.48Å; D342-R346 IonicContact OD1-NE 2.89Å; D342-R346 PolarHBondContact OD1-NE 3.07Å; D342-R346 VanDerWaalsContact OD1-NE 3.09Å; D342-R346 IonicContact OD1-NH2 2.95Å; D342-R346 PolarHBondContact OD1-NH2 3.48Å; D342-R346 IonicContact OD2-CZ 3.18Å; D342-R346 IonicContact OD2-NE 3.47Å; D342-R346 PolarHBondContact OD2-NE 2.89Å; D342-R346 IonicContact OD2-NH1 2.66Å; D342-R346 IonicContact OD2-NH2 3.71Å; D342-R346 PolarHBondContact OD2-NH2 3.13Å
343K68Low68.8Low120 Ų12074 Ų7452%0.52235%0.347SS..Hα-helixtrans-60.2-42.6171.2-74.6177-179.9174.90111.6I339 D340 E345 R346 R347I339-K343 HydrophobicContact CG2-CD 4.18Å; I339-K343 HydrophobicContact CG2-CG 4.44Å; I339-K343 WeakPolarHBondContact O-CB 3.37Å; I339-K343 WeakPolarHBondContact O-CG 3.48Å; I339-K343 PolarHBondContact O-N 3.28Å; D340-K343 PolarHBondContact O-N 3.34Å; K343-E345 VanDerWaalsContact C-N 3.35Å; K343-E345 PolarHBondContact O-N 3.42Å; K343-R346 PolarHBondContact O-N 3.4Å; K343-R347 PolarHBondContact O-N 3.27Å
344M64.6Low69.5Low10 Ų1075.6 Ų75.65%0.04935%0.352CS..Hα-helixtrans-66.5-31.7177.7-65.5-174.386.800113.1D340 M341 D342 V349 V475 R478 L479D340-M344 WeakPolarHBondContact O-CG 3.34Å; D340-M344 PolarHBondContact O-N 2.92Å; M341-M344 WeakPolarHBondContact O-CB 3.37Å; M341-M344 PolarHBondContact O-N 3.43Å; D342-M344 VanDerWaalsContact C-N 3.33Å; D342-M344 PolarHBondContact O-N 3.1Å; M344-V349 HydrophobicContact CB-CG2 4.09Å; M344-V349 HydrophobicContact CE-CG2 3.86Å; M344-V349 HydrophobicContact CG-CG2 3.45Å; M344-V349 VanDerWaalsContact CG-CG2 3.45Å; M344-V349 HydrophobicContact SD-CG2 4.45Å; M344-V475 HydrophobicContact SD-CG1 4.27Å; M344-R478 HydrophobicContact CE-CB 3.68Å; M344-R478 VanDerWaalsContact CE-CD 3.45Å; M344-R478 HydrophobicContact CE-CG 3.38Å; M344-R478 PolarHBondContact O-NH2 2.85Å; M344-R478 HydrophobicContact SD-CG 4.47Å; M344-L479 HydrophobicContact CE-CD2 3.9Å; M344-L479 HydrophobicContact CE-CG 4.16Å; M344-L479 HydrophobicContact SD-CD2 4.4Å
345E65.3Low70.4Confident100 Ų10077.2 Ų77.247%0.46737%0.366SS..Hα-helixtrans-68.6-37.4174.1-76-166.7161.700111.9K283 M341 D342 K343K283-E345 IonicContact NZ-OE2 2.74Å; K283-E345 PolarHBondContact NZ-OE2 3.34Å; M341-E345 PolarHBondContact O-N 3.03Å; D342-E345 PolarHBondContact O-N 3.44Å; K343-E345 VanDerWaalsContact C-N 3.35Å; K343-E345 PolarHBondContact O-N 3.42Å
346R63.7Low70.9Confident102 Ų10276.5 Ų76.539%0.38536%0.364SS..Hα-helixtrans-79.5-35-172.8-66.6171.8-168.4-170.46.9114.1T284 D342 K343T284-R346 VanDerWaalsContact CB-NH2 3.28Å; T284-R346 VanDerWaalsContact CG2-NH2 3.32Å; T284-R346 PolarHBondContact O-NH2 2.91Å; T284-R346 PolarHBondContact OG1-NE 3Å; T284-R346 PolarHBondContact OG1-NH2 3.44Å; D342-R346 VanDerWaalsContact CG-NE 3.34Å; D342-R346 VanDerWaalsContact O-CG 3.3Å; D342-R346 WeakPolarHBondContact O-CG 3.48Å; D342-R346 PolarHBondContact O-N 2.96Å; D342-R346 IonicContact OD1-CZ 3.48Å; D342-R346 IonicContact OD1-NE 2.89Å; D342-R346 PolarHBondContact OD1-NE 3.07Å; D342-R346 VanDerWaalsContact OD1-NE 3.09Å; D342-R346 IonicContact OD1-NH2 2.95Å; D342-R346 PolarHBondContact OD1-NH2 3.48Å; D342-R346 IonicContact OD2-CZ 3.18Å; D342-R346 IonicContact OD2-NE 3.47Å; D342-R346 PolarHBondContact OD2-NE 2.89Å; D342-R346 IonicContact OD2-NH1 2.66Å; D342-R346 IonicContact OD2-NH2 3.71Å; D342-R346 PolarHBondContact OD2-NH2 3.13Å; K343-R346 PolarHBondContact O-N 3.4Å
347R54.6Low71.4Confident196 Ų19676.2 Ų76.274%0.7436%0.363SS*.SBendtrans-139.2137-174.2-63.9-178.6-179.6179.6-0.5107.5K343 V349K343-R347 PolarHBondContact O-N 3.27Å; R347-V349 PolarHBondContact O-N 2.91Å
348K57.8Low72.3Confident197 Ų19774.8 Ų74.886%0.85736%0.355SS*.  trans-49.4116.6158.1-74.5-175.1177.7-175.70105Q350K348-Q350 PolarHBondContact O-N 2.99Å
349V62.2Low72.7Confident31 Ų3174.9 Ų74.919%0.18836%0.357CS..  trans-49.4115.3-178.9178.80000106.8M344 R347 L351 L479M344-V349 HydrophobicContact CB-CG2 4.09Å; M344-V349 HydrophobicContact CE-CG2 3.86Å; M344-V349 HydrophobicContact CG-CG2 3.45Å; M344-V349 VanDerWaalsContact CG-CG2 3.45Å; M344-V349 HydrophobicContact SD-CG2 4.45Å; R347-V349 PolarHBondContact O-N 2.91Å; V349-L351 HydrophobicContact CG1-CD2 4.33Å; V349-L351 PolarHBondContact O-N 3.4Å; V349-L351 VanDerWaalsContact O-N 3.15Å; V349-L479 HydrophobicContact CG1-CD2 4.47Å
350Q68Low72.9Confident180 Ų18075.7 Ų75.784%0.84137%0.366SS*.  trans-70.4110.2168.9-87173.2-16.900105.4K348K348-Q350 PolarHBondContact O-N 2.99Å
351L79.2Confident73.7Confident40 Ų4074.6 Ų74.621%0.20936%0.359CS..  trans-73.3132171.2-66.2174.1000107.9V349 N353 D395 R398 N482 M483V349-L351 HydrophobicContact CG1-CD2 4.33Å; V349-L351 PolarHBondContact O-N 3.4Å; V349-L351 VanDerWaalsContact O-N 3.15Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.06Å; L351-D395 HydrophobicContact CB-CB 4.44Å; L351-D395 HydrophobicContact CD2-CB 4.3Å; L351-R398 HydrophobicContact CD2-CG 4.49Å; L351-N482 HydrophobicContact CD1-CB 4.43Å; L351-N482 WeakPolarHBondContact CD1-O 3.36Å; L351-M483 HydrophobicContact CD1-CB 4.24Å; L351-M483 HydrophobicContact CD1-CG 3.74Å; L351-M483 HydrophobicContact CD2-CG 3.72Å; L351-M483 HydrophobicContact CG-CG 4.41Å
352D80.6Confident74.6Confident94 Ų9474.2 Ų74.250%0.50336%0.358SS..  trans-90.576.8173.2-170.213.6000108.4Q354 D395D352-Q354 PolarHBondContact O-N 2.96Å; D352-Q354 WeakPolarHBondContact OD1-CG 3.45Å; D352-Q354 PolarHBondContact OD1-NE2 3.38Å; D352-Q354 PolarHBondContact OD2-NE2 3.5Å; D352-D395 PolarHBondContact N-OD2 3.13Å; D352-D395 WeakPolarHBondContact O-CA 3.37Å
353N86.1Confident75Confident85 Ų8575.5 Ų75.546%0.45537%0.37SS..  trans-75107.5-178.9-70.9-30.7000109.6L351 I393 D395L351-N353 VanDerWaalsContact C-N 3.33Å; L351-N353 PolarHBondContact O-N 3.06Å; N353-I393 HydrophobicContact CB-CG2 4.03Å; N353-D395 PolarHBondContact OD1-N 2.95Å
354Q83.5Confident75.5Confident103 Ų10373 Ų7348%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-124.3159.2178.8-62.8-175.81.600109.8D352 V356 I393 T394D352-Q354 PolarHBondContact O-N 2.96Å; D352-Q354 WeakPolarHBondContact OD1-CG 3.45Å; D352-Q354 PolarHBondContact OD1-NE2 3.38Å; D352-Q354 PolarHBondContact OD2-NE2 3.5Å; Q354-V356 PolarHBondContact O-N 2.87Å; Q354-I393 WeakPolarHBondContact O-CA 3.35Å; Q354-T394 PolarHBondContact N-O 3.2Å; Q354-T394 PolarHBondContact O-N 3.09Å
355P86Confident76.4Confident85 Ų8572.9 Ų72.955%0.55236%0.362SS*.EExtended strand (participates in β ladder)trans-58.1121.6167.2-21.833.8000110V508P355-V508 HydrophobicContact CB-CG2 4.45Å
356V82.1Confident77.3Confident23 Ų2370.4 Ų70.414%0.13935%0.35CS..EExtended strand (participates in β ladder)trans-113.6122.5176177.50000107.5Q354 F358 F361 Q391 V392 T394Q354-V356 PolarHBondContact O-N 2.87Å; V356-F358 PolarHBondContact O-N 3.45Å; V356-F361 HydrophobicContact CG1-CB 4.13Å; V356-F361 HydrophobicContact CG1-CD2 4.27Å; V356-F361 HydrophobicContact CG1-CG 4.43Å; V356-Q391 VanDerWaalsContact O-CA 3.3Å; V356-Q391 WeakPolarHBondContact O-CA 3.35Å; V356-V392 HydrophobicContact CB-CG2 4.33Å; V356-V392 PolarHBondContact N-O 3.28Å; V356-V392 PolarHBondContact O-N 2.97Å; V356-T394 HydrophobicContact CG2-CG2 4.12Å
357D81.3Confident77.9Confident75 Ų7570.5 Ų70.540%0.40136%0.359SS..EExtended strand (participates in β ladder)trans-61.5101.9165.2177-6.8000108.5T359 S360 F361D357-T359 VanDerWaalsContact C-N 3.29Å; D357-T359 PolarHBondContact O-N 3.27Å; D357-T359 WeakPolarHBondContact OD1-CB 3.47Å; D357-T359 PolarHBondContact OD1-N 3.5Å; D357-S360 VanDerWaalsContact CG-CB 3.5Å; D357-S360 PolarHBondContact OD1-N 3.08Å; D357-S360 VanDerWaalsContact OD2-CB 3.29Å; D357-S360 WeakPolarHBondContact OD2-CB 3.25Å; D357-F361 VanDerWaalsContact O-CB 3.32Å; D357-F361 WeakPolarHBondContact O-CB 3.23Å; D357-F361 PolarHBondContact O-N 2.93Å
358F87.1Confident78.9Confident2 Ų265.6 Ų65.61%0.00935%0.346CS..Hα-helixtrans-73-28.6-173.5-166.2-118000111.3V356 F361 L362 L388 P389 H390 V392 V423 L431 F433V356-F358 PolarHBondContact O-N 3.45Å; F358-F361 HydrophobicContact CD2-CD1 4.29Å; F358-F361 HydrophobicContact CE2-CD1 4.15Å; F358-F361 PolarHBondContact O-N 3.28Å; F358-L362 HydrophobicContact CD1-CD1 3.99Å; F358-L362 HydrophobicContact CD1-CG 4.34Å; F358-L362 HydrophobicContact CE1-CD1 3.59Å; F358-L362 HydrophobicContact CE1-CD2 4.39Å; F358-L362 HydrophobicContact CE1-CG 4Å; F358-L362 HydrophobicContact CE2-CD2 4.44Å; F358-L362 HydrophobicContact CE2-CG 4.42Å; F358-L362 HydrophobicContact CZ-CD1 4.05Å; F358-L362 HydrophobicContact CZ-CD2 3.99Å; F358-L362 HydrophobicContact CZ-CG 4.03Å; F358-L362 WeakPolarHBondContact O-CG 3.37Å; F358-L362 PolarHBondContact O-N 3.33Å; F358-L388 HydrophobicContact CE1-CB 4.48Å; F358-L388 HydrophobicContact CE1-CD1 4.29Å; F358-L388 HydrophobicContact CE1-CD2 4.41Å; F358-P389 WeakPolarHBondContact CB-O 3.42Å; F358-P389 HydrophobicContact CD1-CG 4.4Å; F358-P389 WeakPolarHBondContact CD1-O 3.32Å; F358-H390 PolarHBondContact N-O 3.31Å; F358-V392 HydrophobicContact CB-CG1 4.42Å; F358-V392 HydrophobicContact CB-CG2 4.21Å; F358-V392 HydrophobicContact CD2-CG2 3.84Å; F358-V392 HydrophobicContact CG-CG1 4.41Å; F358-V392 HydrophobicContact CG-CG2 4.25Å; F358-V423 HydrophobicContact CE1-CG1 4.16Å; F358-V423 HydrophobicContact CZ-CG1 3.89Å; F358-L431 HydrophobicContact CD2-CD1 4.09Å; F358-L431 HydrophobicContact CE1-CD2 3.71Å; F358-L431 HydrophobicContact CE2-CD1 3.51Å; F358-L431 HydrophobicContact CE2-CD2 4.1Å; F358-L431 HydrophobicContact CE2-CG 4.49Å; F358-L431 HydrophobicContact CZ-CD1 3.77Å; F358-L431 HydrophobicContact CZ-CD2 3.44Å; F358-L431 VanDerWaalsContact CZ-CD2 3.44Å; F358-L431 HydrophobicContact CZ-CG 4.28Å; F358-F433 AromaticContact CE2-CZ 3.78Å; F358-F433 HydrophobicContact CE2-CZ 3.78Å; F358-F433 HydrophobicContact CZ-CE1 4.4Å; F358-F433 HydrophobicContact CZ-CE2 4.43Å; F358-F433 AromaticContact CZ-CZ 3.68Å; F358-F433 HydrophobicContact CZ-CZ 3.68Å
359T80.7Confident80.2Confident44 Ų4456.3 Ų56.327%0.2731%0.306SS..Hα-helixtrans-66-50177.2-45.20000110D357 L362 A363 P629D357-T359 VanDerWaalsContact C-N 3.29Å; D357-T359 PolarHBondContact O-N 3.27Å; D357-T359 WeakPolarHBondContact OD1-CB 3.47Å; D357-T359 PolarHBondContact OD1-N 3.5Å; T359-L362 PolarHBondContact O-N 3.49Å; T359-A363 PolarHBondContact O-N 2.97Å; T359-P629 HydrophobicContact CG2-CB 3.73Å; T359-P629 HydrophobicContact CG2-CG 3.76Å
360S76.6Confident80.9Confident43 Ų4356.5 Ų56.530%0.30131%0.311SS..Hα-helixtrans-63.1-41.9174.8-179.40000111.8D357 L362 A363 D364D357-S360 VanDerWaalsContact CG-CB 3.5Å; D357-S360 PolarHBondContact OD1-N 3.08Å; D357-S360 VanDerWaalsContact OD2-CB 3.29Å; D357-S360 WeakPolarHBondContact OD2-CB 3.25Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact O-N 2.79Å; S360-A363 PolarHBondContact O-N 2.83Å; S360-D364 PolarHBondContact O-N 3.15Å
361F84.8Confident81.2Confident3 Ų352.5 Ų52.51%0.01330%0.295CS..Hα-helixtrans-58.1-42.9176.9-179.1-89.2000113.2V356 D357 F358 L365 L399 R400 L403 F433V356-F361 HydrophobicContact CG1-CB 4.13Å; V356-F361 HydrophobicContact CG1-CD2 4.27Å; V356-F361 HydrophobicContact CG1-CG 4.43Å; D357-F361 VanDerWaalsContact O-CB 3.32Å; D357-F361 WeakPolarHBondContact O-CB 3.23Å; D357-F361 PolarHBondContact O-N 2.93Å; F358-F361 HydrophobicContact CD2-CD1 4.29Å; F358-F361 HydrophobicContact CE2-CD1 4.15Å; F358-F361 PolarHBondContact O-N 3.28Å; F361-L365 WeakPolarHBondContact O-CB 3.37Å; F361-L365 PolarHBondContact O-N 2.81Å; F361-L399 HydrophobicContact CE1-CD2 3.89Å; F361-L399 HydrophobicContact CE1-CG 4.08Å; F361-L399 HydrophobicContact CE2-CD2 4.44Å; F361-L399 HydrophobicContact CE2-CG 4.41Å; F361-L399 HydrophobicContact CZ-CB 4.18Å; F361-L399 HydrophobicContact CZ-CD2 3.82Å; F361-L399 HydrophobicContact CZ-CG 3.65Å; F361-R400 HydrophobicContact CE2-CB 3.98Å; F361-R400 HydrophobicContact CE2-CG 4.32Å; F361-R400 HydrophobicContact CZ-CB 4.31Å; F361-L403 HydrophobicContact CE1-CD1 3.71Å; F361-L403 HydrophobicContact CZ-CD1 3.87Å; F361-F433 HydrophobicContact CE1-CZ 4.44Å
362L84.7Confident81.2Confident16 Ų1652.2 Ų52.28%0.08429%0.293CS..Hα-helixtrans-68.9-39.6177.9-74.2-178.7000112.4F358 T359 S360 L365 E366 L382 L388 V423 F433F358-L362 HydrophobicContact CD1-CD1 3.99Å; F358-L362 HydrophobicContact CD1-CG 4.34Å; F358-L362 HydrophobicContact CE1-CD1 3.59Å; F358-L362 HydrophobicContact CE1-CD2 4.39Å; F358-L362 HydrophobicContact CE1-CG 4Å; F358-L362 HydrophobicContact CE2-CD2 4.44Å; F358-L362 HydrophobicContact CE2-CG 4.42Å; F358-L362 HydrophobicContact CZ-CD1 4.05Å; F358-L362 HydrophobicContact CZ-CD2 3.99Å; F358-L362 HydrophobicContact CZ-CG 4.03Å; F358-L362 WeakPolarHBondContact O-CG 3.37Å; F358-L362 PolarHBondContact O-N 3.33Å; T359-L362 PolarHBondContact O-N 3.49Å; S360-L362 VanDerWaalsContact C-N 3.34Å; S360-L362 PolarHBondContact O-N 2.79Å; L362-L365 HydrophobicContact CD2-CD2 4.41Å; L362-L365 WeakPolarHBondContact O-CB 3.44Å; L362-L365 PolarHBondContact O-N 3.42Å; L362-E366 PolarHBondContact O-N 2.97Å; L362-L382 HydrophobicContact CB-CD2 4.48Å; L362-L388 HydrophobicContact CD1-CD1 3.76Å; L362-V423 HydrophobicContact CD1-CG1 4.49Å; L362-V423 HydrophobicContact CD2-CG1 4.24Å; L362-V423 HydrophobicContact CD2-CG2 3.94Å; L362-F433 HydrophobicContact CD2-CE1 3.93Å; L362-F433 HydrophobicContact CD2-CZ 4.46Å
363A78.2Confident81.3Confident37 Ų3747.7 Ų47.731%0.30627%0.269SS..Hα-helixtrans-62.7-43.717600000111.8T359 S360 L365 E366 N367T359-A363 PolarHBondContact O-N 2.97Å; S360-A363 PolarHBondContact O-N 2.83Å; A363-L365 VanDerWaalsContact C-N 3.33Å; A363-L365 PolarHBondContact O-N 3.01Å; A363-E366 PolarHBondContact O-N 2.81Å; A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 2.82Å; A363-N367 PolarHBondContact O-ND2 3.27Å
364D77.6Confident81Confident66 Ų6650.7 Ų50.735%0.35328%0.28SS..Hα-helixtrans-58.4-45.8172.9-81.1-12.9000111.8S360 N367 L368 R400S360-D364 PolarHBondContact O-N 3.15Å; D364-N367 PolarHBondContact O-N 2.89Å; D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 VanDerWaalsContact O-CG 3.3Å; D364-L368 WeakPolarHBondContact O-CG 3.47Å; D364-L368 PolarHBondContact O-N 3.47Å; D364-R400 IonicContact OD2-CZ 3.21Å; D364-R400 IonicContact OD2-NH1 3.3Å; D364-R400 PolarHBondContact OD2-NH1 2.93Å; D364-R400 IonicContact OD2-NH2 2.96Å
365L84.2Confident80.6Confident9 Ų953.1 Ų53.15%0.04729%0.291CS..Hα-helixtrans-61.7-45.7-178.9-175.770.3000110.7F361 L362 A363 S369 L403 I407 F433F361-L365 WeakPolarHBondContact O-CB 3.37Å; F361-L365 PolarHBondContact O-N 2.81Å; L362-L365 HydrophobicContact CD2-CD2 4.41Å; L362-L365 WeakPolarHBondContact O-CB 3.44Å; L362-L365 PolarHBondContact O-N 3.42Å; A363-L365 VanDerWaalsContact C-N 3.33Å; A363-L365 PolarHBondContact O-N 3.01Å; L365-S369 WeakPolarHBondContact O-CB 3.24Å; L365-S369 PolarHBondContact O-N 3.41Å; L365-S369 PolarHBondContact O-OG 2.8Å; L365-L403 HydrophobicContact CD1-CB 3.96Å; L365-L403 HydrophobicContact CD1-CD1 4.3Å; L365-L403 HydrophobicContact CD2-CD1 3.87Å; L365-I407 HydrophobicContact CD1-CD1 3.73Å; L365-I407 HydrophobicContact CG-CD1 4.17Å; L365-F433 HydrophobicContact CD2-CE1 4.3Å
366E84.1Confident80.3Confident47 Ų4753.9 Ų53.922%0.2229%0.286CS..Hα-helixtrans-59.6-53.5177.3-177.2166-15400111.5L362 A363 L368 S369 A370 F380 L382L362-E366 PolarHBondContact O-N 2.97Å; A363-E366 PolarHBondContact O-N 2.81Å; E366-L368 PolarHBondContact O-N 2.89Å; E366-S369 PolarHBondContact O-N 2.89Å; E366-A370 VanDerWaalsContact O-CB 3.22Å; E366-A370 WeakPolarHBondContact O-CB 3.44Å; E366-A370 PolarHBondContact O-N 2.63Å; E366-F380 HydrophobicContact CG-CE1 4.14Å; E366-L382 HydrophobicContact CB-CD2 3.87Å; E366-L382 HydrophobicContact CG-CB 4.28Å; E366-L382 HydrophobicContact CG-CD2 4.39Å
367N75.7Confident80.4Confident105 Ų10556 Ų5656%0.56131%0.313SS*.Hα-helixtrans-57.8-47.2-177.4-76.1-39000112.2A363 D364 L371A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 2.82Å; A363-N367 PolarHBondContact O-ND2 3.27Å; D364-N367 PolarHBondContact O-N 2.89Å; N367-L371 WeakPolarHBondContact O-CB 3.41Å; N367-L371 PolarHBondContact O-N 3.03Å
368L76.5Confident80.8Confident92 Ų9253 Ų5348%0.48230%0.297SS..Hα-helixtrans-67.6-40.2-179.8-69173.7000111.8D364 E366 Q372D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 VanDerWaalsContact O-CG 3.3Å; D364-L368 WeakPolarHBondContact O-CG 3.47Å; D364-L368 PolarHBondContact O-N 3.47Å; E366-L368 PolarHBondContact O-N 2.89Å; L368-Q372 WeakPolarHBondContact O-CG 3.43Å; L368-Q372 PolarHBondContact O-N 2.97Å; L368-Q372 VanDerWaalsContact O-N 3.14Å
369S84.1Confident80.9Confident2 Ų261.6 Ų61.61%0.01433%0.329CS..Hα-helixtrans-73-40-177.6-56.20000112.1L365 E366 L371 Q372 A373 I407L365-S369 WeakPolarHBondContact O-CB 3.24Å; L365-S369 PolarHBondContact O-N 3.41Å; L365-S369 PolarHBondContact O-OG 2.8Å; E366-S369 PolarHBondContact O-N 2.89Å; S369-L371 VanDerWaalsContact C-N 3.32Å; S369-L371 PolarHBondContact O-N 2.95Å; S369-Q372 PolarHBondContact O-N 3.3Å; S369-A373 PolarHBondContact O-N 3.37Å; S369-I407 VanDerWaalsContact OG-CD1 3.24Å; S369-I407 WeakPolarHBondContact OG-CD1 3.41Å
370A78.8Confident81.5Confident36 Ų3660.8 Ų60.830%0.29832%0.322SS..Hα-helixtrans-58.9-44.6173.600000110.9E366 Q372 A373 Q374 F380E366-A370 VanDerWaalsContact O-CB 3.22Å; E366-A370 WeakPolarHBondContact O-CB 3.44Å; E366-A370 PolarHBondContact O-N 2.63Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 2.96Å; A370-A373 PolarHBondContact O-N 2.98Å; A370-Q374 VanDerWaalsContact O-CB 3.28Å; A370-Q374 WeakPolarHBondContact O-CB 3.14Å; A370-Q374 PolarHBondContact O-N 2.9Å; A370-F380 HydrophobicContact CB-CB 4.43Å; A370-F380 HydrophobicContact CB-CD1 4.03Å; A370-F380 HydrophobicContact CB-CG 4.46Å
371L73.3Confident82.1Confident96 Ų9661.6 Ų61.650%0.50332%0.323SS..Hα-helixtrans-62.5-40176.8-172.9144.2000112.1N367 S369 Q375N367-L371 WeakPolarHBondContact O-CB 3.41Å; N367-L371 PolarHBondContact O-N 3.03Å; S369-L371 VanDerWaalsContact C-N 3.32Å; S369-L371 PolarHBondContact O-N 2.95Å; L371-Q375 VanDerWaalsContact O-CG 3.32Å; L371-Q375 WeakPolarHBondContact O-CG 3.49Å; L371-Q375 PolarHBondContact O-N 2.84Å; L371-Q375 VanDerWaalsContact O-N 3.15Å
372Q79.5Confident82.3Confident33 Ų3362.4 Ų62.415%0.15433%0.327CS..Hα-helixtrans-65.5-43.9175.6-72.5-178.1-61.700112.7L368 S369 A370 Q375L368-Q372 WeakPolarHBondContact O-CG 3.43Å; L368-Q372 PolarHBondContact O-N 2.97Å; L368-Q372 VanDerWaalsContact O-N 3.14Å; S369-Q372 PolarHBondContact O-N 3.3Å; A370-Q372 VanDerWaalsContact C-N 3.35Å; A370-Q372 PolarHBondContact O-N 2.96Å; Q372-Q375 PolarHBondContact O-N 3.22Å
373A83.1Confident82.7Confident0 Ų065.3 Ų65.30%034%0.34CS..Hα-helixtrans-64.9-43.6177.500000111.4S369 A370 Q375 K376 G377 L378 F380 V411S369-A373 PolarHBondContact O-N 3.37Å; A370-A373 PolarHBondContact O-N 2.98Å; A373-Q375 VanDerWaalsContact C-N 3.32Å; A373-Q375 PolarHBondContact O-N 3.01Å; A373-K376 CarbonylContact O-C 3.57Å; A373-K376 WeakPolarHBondContact O-CA 3.47Å; A373-K376 PolarHBondContact O-N 2.93Å; A373-G377 PolarHBondContact O-N 3.4Å; A373-G377 VanDerWaalsContact O-N 3.11Å; A373-L378 HydrophobicContact CB-CB 4.07Å; A373-L378 PolarHBondContact O-N 3.23Å; A373-F380 HydrophobicContact CB-CB 3.73Å; A373-V411 HydrophobicContact CB-CG2 4.44Å
374Q79.5Confident83.2Confident148 Ų14865.3 Ų65.369%0.69234%0.337SS*.Hα-helixtrans-60.8-38.4178.8-174.4-176.9-2.200112.2A370 K376 G377A370-Q374 VanDerWaalsContact O-CB 3.28Å; A370-Q374 WeakPolarHBondContact O-CB 3.14Å; A370-Q374 PolarHBondContact O-N 2.9Å; Q374-K376 PolarHBondContact O-N 3.18Å; Q374-K376 VanDerWaalsContact O-N 3.13Å; Q374-G377 PolarHBondContact O-N 2.97Å
375Q75.8Confident83.7Confident153 Ų15366 Ų6672%0.71534%0.344SS*.Hα-helixtrans-58.8-24.9175.2-76.31768.500113.4L371 Q372 A373L371-Q375 VanDerWaalsContact O-CG 3.32Å; L371-Q375 WeakPolarHBondContact O-CG 3.49Å; L371-Q375 PolarHBondContact O-N 2.84Å; L371-Q375 VanDerWaalsContact O-N 3.15Å; Q372-Q375 PolarHBondContact O-N 3.22Å; A373-Q375 VanDerWaalsContact C-N 3.32Å; A373-Q375 PolarHBondContact O-N 3.01Å
376K78.9Confident83.7Confident101 Ų10171.5 Ų71.544%0.43937%0.373SS..THydrogen-bonded Turntrans-100.90.9173.7-77.1-157.6176.2-168.70114.2A373 Q374 L378 V411 K412A373-K376 CarbonylContact O-C 3.57Å; A373-K376 WeakPolarHBondContact O-CA 3.47Å; A373-K376 PolarHBondContact O-N 2.93Å; Q374-K376 PolarHBondContact O-N 3.18Å; Q374-K376 VanDerWaalsContact O-N 3.13Å; K376-L378 VanDerWaalsContact C-N 3.29Å; K376-L378 HydrophobicContact CB-CD1 4.15Å; K376-L378 HydrophobicContact CB-CG 4Å; K376-L378 HydrophobicContact CD-CD1 4.46Å; K376-V411 HydrophobicContact CD-CG1 3.76Å; K376-V411 VanDerWaalsContact CD-O 3.3Å; K376-V411 WeakPolarHBondContact CD-O 3.34Å; K376-V411 WeakPolarHBondContact CE-O 3.48Å; K376-V411 HydrophobicContact CG-CG1 4.18Å; K376-V411 PolarHBondContact NZ-O 3.43Å; K376-K412 VanDerWaalsContact NZ-CA 3.29Å; K376-K412 PolarHBondContact NZ-O 2.74Å
377G84.9Confident83.6Confident69 Ų6974.8 Ų74.871%0.71140%0.398SS*.THydrogen-bonded Turntrans69.125.4-17500000113.9A373 Q374A373-G377 PolarHBondContact O-N 3.4Å; A373-G377 VanDerWaalsContact O-N 3.11Å; Q374-G377 PolarHBondContact O-N 2.97Å
378L89.6Confident84.1Confident11 Ų1171 Ų716%0.05838%0.378CS..  trans-92153.9175.5-58.9176.2000110.5A373 K376 V411 T414A373-L378 HydrophobicContact CB-CB 4.07Å; A373-L378 PolarHBondContact O-N 3.23Å; K376-L378 VanDerWaalsContact C-N 3.29Å; K376-L378 HydrophobicContact CB-CD1 4.15Å; K376-L378 HydrophobicContact CB-CG 4Å; K376-L378 HydrophobicContact CD-CD1 4.46Å; L378-V411 HydrophobicContact CD1-CG1 4.27Å; L378-T414 HydrophobicContact CD1-CG2 4Å; L378-T414 HydrophobicContact CD2-CG2 3.68Å; L378-T414 HydrophobicContact CG-CG2 4.48Å
379R89.4Confident84.4Confident183 Ų18367.2 Ų67.269%0.69136%0.359SS*.EExtended strand (participates in β ladder)trans-83.7143.2168-65.8-179.5-177.6173.6-1.1110.2G417 Q418 V419R379-G417 PolarHBondContact N-O 3.33Å; R379-G417 VanDerWaalsContact N-O 3.1Å; R379-Q418 HydrophobicContact CB-CB 3.81Å; R379-Q418 CarbonylContact O-C 3.53Å; R379-Q418 WeakPolarHBondContact O-CA 3.48Å; R379-Q418 WeakPolarHBondContact O-CB 3.27Å; R379-V419 PolarHBondContact O-N 3.48Å
380F91.3Very high84.2Confident27 Ų2773.1 Ų73.112%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-125131.3175.5179.9-94.3000109.4E366 A370 A373 L382 I407 V419 V421E366-F380 HydrophobicContact CG-CE1 4.14Å; A370-F380 HydrophobicContact CB-CB 4.43Å; A370-F380 HydrophobicContact CB-CD1 4.03Å; A370-F380 HydrophobicContact CB-CG 4.46Å; A373-F380 HydrophobicContact CB-CB 3.73Å; F380-L382 HydrophobicContact CE1-CB 4.22Å; F380-I407 HydrophobicContact CE2-CG2 4.47Å; F380-V419 WeakPolarHBondContact CA-O 3.5Å; F380-V419 HydrophobicContact CD2-CB 4.32Å; F380-V419 HydrophobicContact CD2-CG1 4.33Å; F380-V419 HydrophobicContact CE2-CG1 4.41Å; F380-V421 HydrophobicContact CE2-CG2 3.66Å; F380-V421 HydrophobicContact CZ-CB 4.28Å; F380-V421 HydrophobicContact CZ-CG2 3.77Å
381N90.6Very high84.4Confident60 Ų6074.5 Ų74.532%0.32139%0.386SS..EExtended strand (participates in β ladder)trans-128.4132.4177.3-60.7-11.9000109.8V419 T420 V421N381-V419 PolarHBondContact N-O 3.41Å; N381-T420 HydrophobicContact CB-CG2 4.27Å; N381-T420 CarbonylContact O-C 3.58Å; N381-T420 WeakPolarHBondContact O-CA 3.38Å; N381-V421 PolarHBondContact O-N 2.9Å
382L89.2Confident85.2Confident20 Ų2069.9 Ų69.911%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-105121.5166.6-176.268.1000108.8L362 E366 F380 P384 V421 V423L362-L382 HydrophobicContact CB-CD2 4.48Å; E366-L382 HydrophobicContact CB-CD2 3.87Å; E366-L382 HydrophobicContact CG-CB 4.28Å; E366-L382 HydrophobicContact CG-CD2 4.39Å; F380-L382 HydrophobicContact CE1-CB 4.22Å; L382-P384 WeakPolarHBondContact O-CD 3.2Å; L382-V421 CarbonylContact C-O 3.53Å; L382-V421 WeakPolarHBondContact CA-O 3.45Å; L382-V421 HydrophobicContact CD1-CB 3.81Å; L382-V421 HydrophobicContact CD1-CG1 3.8Å; L382-V423 HydrophobicContact CD1-CG2 3.89Å
383E92.1Very high85.8Confident77 Ų7771.5 Ų71.536%0.3637%0.371SS..EExtended strand (participates in β ladder)trans-118.884.1-176.5-68.2173.5-167.700110T420 V421 R422 V423E383-T420 HydrophobicContact CG-CG2 4.09Å; E383-T420 WeakPolarHBondContact OE1-CG2 3.32Å; E383-V421 PolarHBondContact N-O 2.89Å; E383-R422 HydrophobicContact CB-CG 4.15Å; E383-R422 WeakPolarHBondContact O-CA 3.31Å; E383-R422 IonicContact OE2-CZ 2.68Å; E383-R422 IonicContact OE2-NE 2.9Å; E383-R422 PolarHBondContact OE2-NE 2.93Å; E383-R422 IonicContact OE2-NH2 2.6Å; E383-V423 PolarHBondContact O-N 3.39Å; E383-V423 VanDerWaalsContact O-N 3.16Å
384P88.7Confident86.2Confident37 Ų3771.6 Ų71.624%0.2437%0.371CS..EExtended strand (participates in β ladder)trans-75.1133.7175.329.7-32000111.4L382 L388 V423 L536L382-P384 WeakPolarHBondContact O-CD 3.2Å; P384-L388 HydrophobicContact CB-CD1 3.57Å; P384-V423 CarbonylContact C-O 3.57Å; P384-V423 WeakPolarHBondContact CA-O 3.36Å; P384-L536 HydrophobicContact CG-CD1 4.13Å
385T88.1Confident86.7Confident81 Ų8165 Ų6550%0.49734%0.341SS..  trans-94.8111.7170.1-55.10000108.9L388 V423 R424T385-L388 WeakPolarHBondContact O-CD2 3.37Å; T385-V423 PolarHBondContact N-O 3.41Å; T385-R424 HydrophobicContact CG2-CB 4.49Å
386L83.8Confident87.2Confident124 Ų12458.3 Ų58.365%0.64931%0.313SS*.SBendtrans-79.6151.1179.3-62.8175.1000111.7L388L386-L388 HydrophobicContact CD2-CG 4.4Å
387P82.9Confident87.4Confident116 Ų11658.3 Ų58.375%0.75332%0.321SS*.  cis-79.6143.6132.3-34000113
388L85.8Confident87.5Confident26 Ų2658 Ų5814%0.13630%0.299CS..  trans-112.5144.6169.7-67.2176.6000109.8F358 L362 P384 T385 L386 V423F358-L388 HydrophobicContact CE1-CB 4.48Å; F358-L388 HydrophobicContact CE1-CD1 4.29Å; F358-L388 HydrophobicContact CE1-CD2 4.41Å; L362-L388 HydrophobicContact CD1-CD1 3.76Å; P384-L388 HydrophobicContact CB-CD1 3.57Å; T385-L388 WeakPolarHBondContact O-CD2 3.37Å; L386-L388 HydrophobicContact CD2-CG 4.4Å; L388-V423 HydrophobicContact CD1-CG1 4.37Å; L388-V423 HydrophobicContact CD2-CG1 4.35Å
389P83.5Confident87.7Confident12 Ų1257.5 Ų57.58%0.07830%0.296CS..  trans-66145.1175.628.7-35.3000110.7F358 V392 Y425 S507F358-P389 WeakPolarHBondContact CB-O 3.42Å; F358-P389 HydrophobicContact CD1-CG 4.4Å; F358-P389 WeakPolarHBondContact CD1-O 3.32Å; P389-V392 HydrophobicContact CB-CG1 3.84Å; P389-V392 HydrophobicContact CG-CG1 3.31Å; P389-Y425 HydrophobicContact CG-CD1 4.27Å; P389-Y425 HydrophobicContact CG-CD2 3.98Å; P389-Y425 HydrophobicContact CG-CE1 4.4Å; P389-Y425 HydrophobicContact CG-CE2 4.07Å; P389-Y425 HydrophobicContact CG-CG 4.05Å; P389-S507 VanDerWaalsContact CB-OG 3.29Å; P389-S507 WeakPolarHBondContact CB-OG 3.33Å
390H79.6Confident87.6Confident125 Ų12553 Ų5358%0.57928%0.279SS*.SBendtrans-77-35.4176.8-69.646000111F358F358-H390 PolarHBondContact N-O 3.31Å
391Q82.8Confident87.4Confident65 Ų6554 Ų5430%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-131.4139.9176-65.9-169.64700111V356 S507 V508V356-Q391 VanDerWaalsContact O-CA 3.3Å; V356-Q391 WeakPolarHBondContact O-CA 3.35Å; Q391-S507 WeakPolarHBondContact O-CA 3.2Å; Q391-V508 HydrophobicContact CB-CB 4.16Å; Q391-V508 HydrophobicContact CB-CG2 4.14Å; Q391-V508 PolarHBondContact O-N 3.34Å; Q391-V508 VanDerWaalsContact O-N 3.07Å
392V90.3Very high87.4Confident0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-131.3144.5175.9-63.50000111.3V356 F358 P389 T394 L431 A505 P506V356-V392 HydrophobicContact CB-CG2 4.33Å; V356-V392 PolarHBondContact N-O 3.28Å; V356-V392 PolarHBondContact O-N 2.97Å; F358-V392 HydrophobicContact CB-CG1 4.42Å; F358-V392 HydrophobicContact CB-CG2 4.21Å; F358-V392 HydrophobicContact CD2-CG2 3.84Å; F358-V392 HydrophobicContact CG-CG1 4.41Å; F358-V392 HydrophobicContact CG-CG2 4.25Å; P389-V392 HydrophobicContact CB-CG1 3.84Å; P389-V392 HydrophobicContact CG-CG1 3.31Å; V392-T394 HydrophobicContact CG2-CG2 4.1Å; V392-T394 PolarHBondContact O-N 3.28Å; V392-L431 HydrophobicContact CB-CD1 4.45Å; V392-L431 HydrophobicContact CG1-CD1 4.15Å; V392-L431 HydrophobicContact CG2-CD1 4.07Å; V392-A505 HydrophobicContact CB-CB 4.13Å; V392-A505 HydrophobicContact CG2-CB 4.42Å; V392-P506 CarbonylContact C-O 3.54Å; V392-P506 WeakPolarHBondContact CA-O 3.22Å
393I91.3Very high87.6Confident67 Ų6750.2 Ų50.234%0.34426%0.264SS..EExtended strand (participates in β ladder)trans-87.8105.9175.8-60.4177.2000108.8N353 Q354 P506 V508N353-I393 HydrophobicContact CB-CG2 4.03Å; Q354-I393 WeakPolarHBondContact O-CA 3.35Å; I393-P506 PolarHBondContact N-O 3.47Å; I393-P506 WeakPolarHBondContact O-CD 3.25Å; I393-V508 HydrophobicContact CD1-CG2 4.04Å; I393-V508 HydrophobicContact CG1-CG2 3.62Å
394T93.1Very high87.3Confident1 Ų152.3 Ų52.31%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-161.7171.7177.8-159.40000111.8Q354 V356 V392 G396 L399 M483Q354-T394 PolarHBondContact N-O 3.2Å; Q354-T394 PolarHBondContact O-N 3.09Å; V356-T394 HydrophobicContact CG2-CG2 4.12Å; V392-T394 HydrophobicContact CG2-CG2 4.1Å; V392-T394 PolarHBondContact O-N 3.28Å; T394-G396 PolarHBondContact O-N 3.37Å; T394-L399 HydrophobicContact CG2-CD2 4.19Å; T394-M483 WeakPolarHBondContact OG1-CE 3.41Å
395D89.5Confident87.1Confident11 Ų1152 Ų526%0.05927%0.265CS..  trans-82.790.4170.2-172.8-33.3000109.4L351 D352 N353 T397 R398 L399L351-D395 HydrophobicContact CB-CB 4.44Å; L351-D395 HydrophobicContact CD2-CB 4.3Å; D352-D395 PolarHBondContact N-OD2 3.13Å; D352-D395 WeakPolarHBondContact O-CA 3.37Å; N353-D395 PolarHBondContact OD1-N 2.95Å; D395-T397 PolarHBondContact O-N 2.89Å; D395-T397 WeakPolarHBondContact OD1-CB 3.5Å; D395-T397 PolarHBondContact OD1-N 3.36Å; D395-T397 VanDerWaalsContact OD1-N 3.16Å; D395-R398 HydrophobicContact CB-CB 4.17Å; D395-R398 HydrophobicContact CB-CG 4.2Å; D395-R398 PolarHBondContact O-N 3.09Å; D395-R398 VanDerWaalsContact O-N 3.15Å; D395-R398 WeakPolarHBondContact OD1-CG 3.39Å; D395-R398 PolarHBondContact OD1-N 2.9Å; D395-R398 WeakPolarHBondContact OD2-CG 3.15Å; D395-L399 PolarHBondContact O-N 3.36Å
396G86.7Confident87.3Confident12 Ų1248.2 Ų48.212%0.12424%0.242CC..Hα-helixtrans-58.8-28.8-177.800000113.5T394 R400T394-G396 PolarHBondContact O-N 3.37Å; G396-R400 VanDerWaalsContact O-CB 3.28Å; G396-R400 WeakPolarHBondContact O-CB 3.38Å; G396-R400 PolarHBondContact O-N 3.09Å
397T82.1Confident87.7Confident100 Ų10042.3 Ų42.361%0.61321%0.211SC*.Hα-helixtrans-70.2-45.9177.2-59.50000110.8D395 R400 Q401D395-T397 PolarHBondContact O-N 2.89Å; D395-T397 WeakPolarHBondContact OD1-CB 3.5Å; D395-T397 PolarHBondContact OD1-N 3.36Å; D395-T397 VanDerWaalsContact OD1-N 3.16Å; T397-R400 PolarHBondContact O-N 3.12Å; T397-Q401 PolarHBondContact O-N 3.39Å
398R88Confident87.8Confident63 Ų6338.6 Ų38.624%0.23819%0.188CC..Hα-helixtrans-70.3-38.5177.9-61.5-60168.8-165.2-2.6112.4D340 L351 D395 R400 Q401 I402 L479 M483D340-R398 IonicContact OD2-NH1 3.31Å; L351-R398 HydrophobicContact CD2-CG 4.49Å; D395-R398 HydrophobicContact CB-CB 4.17Å; D395-R398 HydrophobicContact CB-CG 4.2Å; D395-R398 PolarHBondContact O-N 3.09Å; D395-R398 VanDerWaalsContact O-N 3.15Å; D395-R398 WeakPolarHBondContact OD1-CG 3.39Å; D395-R398 PolarHBondContact OD1-N 2.9Å; D395-R398 WeakPolarHBondContact OD2-CG 3.15Å; R398-R400 VanDerWaalsContact C-N 3.32Å; R398-R400 PolarHBondContact O-N 3.2Å; R398-Q401 WeakPolarHBondContact O-CB 3.46Å; R398-Q401 PolarHBondContact O-N 3.35Å; R398-I402 WeakPolarHBondContact O-CG1 3.43Å; R398-I402 PolarHBondContact O-N 3.06Å; R398-L479 HydrophobicContact CG-CD2 4.49Å; R398-M483 HydrophobicContact CB-SD 4.04Å
399L92.6Very high87.9Confident1 Ų139 Ų391%0.00519%0.19CC..Hα-helixtrans-57-48.6172.7-176.149.9000110.9F361 T394 D395 Q401 I402 L403 F433 M483 L501 I503F361-L399 HydrophobicContact CE1-CD2 3.89Å; F361-L399 HydrophobicContact CE1-CG 4.08Å; F361-L399 HydrophobicContact CE2-CD2 4.44Å; F361-L399 HydrophobicContact CE2-CG 4.41Å; F361-L399 HydrophobicContact CZ-CB 4.18Å; F361-L399 HydrophobicContact CZ-CD2 3.82Å; F361-L399 HydrophobicContact CZ-CG 3.65Å; T394-L399 HydrophobicContact CG2-CD2 4.19Å; D395-L399 PolarHBondContact O-N 3.36Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; L399-Q401 PolarHBondContact O-N 3.05Å; L399-I402 PolarHBondContact O-N 3.22Å; L399-L403 HydrophobicContact CD1-CD1 3.89Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 3.98Å; L399-L403 WeakPolarHBondContact O-CG 3.24Å; L399-L403 PolarHBondContact O-N 2.7Å; L399-F433 HydrophobicContact CD1-CE2 4.13Å; L399-F433 HydrophobicContact CD2-CE2 4.36Å; L399-F433 HydrophobicContact CD2-CZ 4.44Å; L399-M483 HydrophobicContact CB-CE 4.07Å; L399-L501 HydrophobicContact CD1-CD2 3.85Å; L399-I503 HydrophobicContact CD1-CD1 3.69Å; L399-I503 HydrophobicContact CD2-CD1 3.74Å; L399-I503 HydrophobicContact CG-CD1 4.22Å
400R88Confident88.3Confident87 Ų8738.6 Ų38.633%0.32819%0.187SC..Hα-helixtrans-59.5-43.3176.9-157.1177.3-56.1-104.66.1111.9F361 D364 G396 T397 R398 I402 L403 W404F361-R400 HydrophobicContact CE2-CB 3.98Å; F361-R400 HydrophobicContact CE2-CG 4.32Å; F361-R400 HydrophobicContact CZ-CB 4.31Å; D364-R400 IonicContact OD2-CZ 3.21Å; D364-R400 IonicContact OD2-NH1 3.3Å; D364-R400 PolarHBondContact OD2-NH1 2.93Å; D364-R400 IonicContact OD2-NH2 2.96Å; G396-R400 VanDerWaalsContact O-CB 3.28Å; G396-R400 WeakPolarHBondContact O-CB 3.38Å; G396-R400 PolarHBondContact O-N 3.09Å; T397-R400 PolarHBondContact O-N 3.12Å; R398-R400 VanDerWaalsContact C-N 3.32Å; R398-R400 PolarHBondContact O-N 3.2Å; R400-I402 VanDerWaalsContact C-N 3.35Å; R400-I402 PolarHBondContact O-N 2.98Å; R400-L403 PolarHBondContact O-N 3.21Å; R400-W404 WeakPolarHBondContact O-CB 3.37Å; R400-W404 PolarHBondContact O-N 3.18Å
401Q85.7Confident88.6Confident49 Ų4933.1 Ų33.123%0.22916%0.163CC..Hα-helixtrans-59.8-43.6177.4-176.5178.6700112D340 T397 R398 L399 N405D340-Q401 PolarHBondContact OD2-NE2 3.1Å; T397-Q401 PolarHBondContact O-N 3.39Å; R398-Q401 WeakPolarHBondContact O-CB 3.46Å; R398-Q401 PolarHBondContact O-N 3.35Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; L399-Q401 PolarHBondContact O-N 3.05Å; Q401-N405 WeakPolarHBondContact O-CB 3.38Å; Q401-N405 PolarHBondContact O-N 3.38Å; Q401-N405 VanDerWaalsContact O-N 3.15Å
402I91.9Very high88.7Confident0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-63.7-54.9177.6-64.7164.1000110.3R398 L399 R400 W404 N405 L406 L479 A480 M483 I487 L501R398-I402 WeakPolarHBondContact O-CG1 3.43Å; R398-I402 PolarHBondContact O-N 3.06Å; L399-I402 PolarHBondContact O-N 3.22Å; R400-I402 VanDerWaalsContact C-N 3.35Å; R400-I402 PolarHBondContact O-N 2.98Å; I402-W404 VanDerWaalsContact C-N 3.33Å; I402-W404 PolarHBondContact O-N 2.8Å; I402-N405 PolarHBondContact O-N 2.78Å; I402-N405 VanDerWaalsContact O-N 3.15Å; I402-L406 HydrophobicContact CG2-CD1 4.18Å; I402-L406 HydrophobicContact CG2-CG 4.45Å; I402-L406 WeakPolarHBondContact O-CG 3.28Å; I402-L406 PolarHBondContact O-N 3.01Å; I402-L479 HydrophobicContact CD1-CB 3.77Å; I402-L479 HydrophobicContact CG1-CB 4.02Å; I402-L479 HydrophobicContact CG1-CD1 4.3Å; I402-A480 HydrophobicContact CD1-CB 4.32Å; I402-M483 HydrophobicContact CD1-SD 3.8Å; I402-I487 HydrophobicContact CG2-CD1 3.7Å; I402-L501 HydrophobicContact CB-CD2 4.37Å; I402-L501 HydrophobicContact CD1-CD1 4.46Å; I402-L501 HydrophobicContact CG2-CD1 3.91Å; I402-L501 HydrophobicContact CG2-CD2 3.64Å; I402-L501 HydrophobicContact CG2-CG 4.32Å
403L93.3Very high88.5Confident0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-62.1-42.3-175.8-69.1173.7000111.6F361 L365 L399 R400 N405 L406 I407 F433 L501F361-L403 HydrophobicContact CE1-CD1 3.71Å; F361-L403 HydrophobicContact CZ-CD1 3.87Å; L365-L403 HydrophobicContact CD1-CB 3.96Å; L365-L403 HydrophobicContact CD1-CD1 4.3Å; L365-L403 HydrophobicContact CD2-CD1 3.87Å; L399-L403 HydrophobicContact CD1-CD1 3.89Å; L399-L403 HydrophobicContact CD1-CG 4.1Å; L399-L403 HydrophobicContact CG-CD1 3.98Å; L399-L403 WeakPolarHBondContact O-CG 3.24Å; L399-L403 PolarHBondContact O-N 2.7Å; R400-L403 PolarHBondContact O-N 3.21Å; L403-N405 VanDerWaalsContact C-N 3.3Å; L403-N405 PolarHBondContact O-N 2.96Å; L403-L406 PolarHBondContact O-N 3.29Å; L403-I407 WeakPolarHBondContact O-CB 3.27Å; L403-I407 VanDerWaalsContact O-CG1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.39Å; L403-I407 PolarHBondContact O-N 3.47Å; L403-F433 HydrophobicContact CD1-CD1 3.89Å; L403-F433 HydrophobicContact CD1-CE1 3.66Å; L403-F433 HydrophobicContact CD1-CE2 4.32Å; L403-F433 HydrophobicContact CD1-CG 4.32Å; L403-F433 HydrophobicContact CD1-CZ 3.88Å; L403-F433 HydrophobicContact CD2-CB 3.71Å; L403-F433 HydrophobicContact CD2-CD1 3.69Å; L403-F433 HydrophobicContact CD2-CD2 4.21Å; L403-F433 HydrophobicContact CD2-CE1 4.33Å; L403-F433 HydrophobicContact CD2-CG 3.62Å; L403-F433 HydrophobicContact CG-CD1 4.47Å; L403-L501 HydrophobicContact CD2-CD2 3.67Å; L403-L501 HydrophobicContact CG-CD2 4.12Å
404W85.9Confident88.4Confident121 Ų12132.9 Ų32.946%0.45816%0.158SC..Hα-helixtrans-61.1-39.8176.8-167.872.1000112R400 I402 S408R400-W404 WeakPolarHBondContact O-CB 3.37Å; R400-W404 PolarHBondContact O-N 3.18Å; I402-W404 VanDerWaalsContact C-N 3.33Å; I402-W404 PolarHBondContact O-N 2.8Å; W404-S408 WeakPolarHBondContact O-CB 3.23Å; W404-S408 PolarHBondContact O-N 3.05Å
405N84.6Confident88Confident31 Ų3140.8 Ų40.817%0.16620%0.195CC..Hα-helixtrans-66.4-41.4175.3-17640000112.1Q401 I402 L403 N409 G472 L473 S476Q401-N405 WeakPolarHBondContact O-CB 3.38Å; Q401-N405 PolarHBondContact O-N 3.38Å; Q401-N405 VanDerWaalsContact O-N 3.15Å; I402-N405 PolarHBondContact O-N 2.78Å; I402-N405 VanDerWaalsContact O-N 3.15Å; L403-N405 VanDerWaalsContact C-N 3.3Å; L403-N405 PolarHBondContact O-N 2.96Å; N405-N409 WeakPolarHBondContact O-CB 3.34Å; N405-N409 VanDerWaalsContact O-CG 3.25Å; N405-N409 PolarHBondContact O-N 3.18Å; N405-N409 PolarHBondContact O-ND2 2.97Å; N405-N409 PolarHBondContact OD1-ND2 2.87Å; N405-G472 PolarHBondContact ND2-O 2.93Å; N405-G472 VanDerWaalsContact ND2-O 3.13Å; N405-L473 PolarHBondContact ND2-N 2.9Å; N405-S476 PolarHBondContact ND2-OG 3.39Å
406L92.9Very high87.8Confident2 Ų248.4 Ų48.41%0.0123%0.231CC..Hα-helixtrans-65.4-48.4178-65.4-179.1000111.9I402 L403 N409 A410 V435 L473 I487 F499 L501I402-L406 HydrophobicContact CG2-CD1 4.18Å; I402-L406 HydrophobicContact CG2-CG 4.45Å; I402-L406 WeakPolarHBondContact O-CG 3.28Å; I402-L406 PolarHBondContact O-N 3.01Å; L403-L406 PolarHBondContact O-N 3.29Å; L406-N409 PolarHBondContact O-N 3.44Å; L406-A410 PolarHBondContact O-N 2.65Å; L406-V435 HydrophobicContact CB-CB 4.36Å; L406-V435 HydrophobicContact CB-CG2 3.98Å; L406-V435 HydrophobicContact CD1-CG2 4.36Å; L406-L473 HydrophobicContact CD2-CD1 3.72Å; L406-I487 HydrophobicContact CD1-CD1 4.42Å; L406-I487 HydrophobicContact CD2-CD1 4.47Å; L406-I487 HydrophobicContact CD2-CG2 4.43Å; L406-F499 HydrophobicContact CD1-CB 4.39Å; L406-F499 HydrophobicContact CD2-CB 4.14Å; L406-F499 HydrophobicContact CD2-CD1 4.13Å; L406-F499 HydrophobicContact CD2-CG 4.18Å; L406-L501 HydrophobicContact CD1-CB 4.18Å
407I91.5Very high88Confident0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-65.9-42.4-179.9-64.7171.2000110.7L365 S369 F380 L403 N409 A410 V411 V421 V435L365-I407 HydrophobicContact CD1-CD1 3.73Å; L365-I407 HydrophobicContact CG-CD1 4.17Å; S369-I407 VanDerWaalsContact OG-CD1 3.24Å; S369-I407 WeakPolarHBondContact OG-CD1 3.41Å; F380-I407 HydrophobicContact CE2-CG2 4.47Å; L403-I407 WeakPolarHBondContact O-CB 3.27Å; L403-I407 VanDerWaalsContact O-CG1 3.29Å; L403-I407 WeakPolarHBondContact O-CG1 3.39Å; L403-I407 PolarHBondContact O-N 3.47Å; I407-N409 VanDerWaalsContact C-N 3.27Å; I407-N409 PolarHBondContact O-N 2.82Å; I407-A410 WeakPolarHBondContact O-CB 3.4Å; I407-A410 PolarHBondContact O-N 2.88Å; I407-A410 VanDerWaalsContact O-N 3.17Å; I407-V411 HydrophobicContact CG2-CG2 4.36Å; I407-V411 WeakPolarHBondContact O-CG2 3.32Å; I407-V411 PolarHBondContact O-N 3.41Å; I407-V421 HydrophobicContact CD1-CG2 3.91Å; I407-V421 HydrophobicContact CG1-CG2 4.02Å; I407-V435 HydrophobicContact CG1-CG1 4.06Å; I407-V435 HydrophobicContact CG1-CG2 4.12Å
408S85.3Confident88.5Confident38 Ų3848.5 Ų48.527%0.26623%0.232SC..Hα-helixtrans-59.6-39.2174.8-1770000111.6W404 K412W404-S408 WeakPolarHBondContact O-CB 3.23Å; W404-S408 PolarHBondContact O-N 3.05Å; S408-K412 WeakPolarHBondContact O-CB 3.34Å; S408-K412 PolarHBondContact O-N 3.34Å
409N87.7Confident88.8Confident35 Ų3545.5 Ų45.519%0.18722%0.22CC..Hα-helixtrans-66.4-45.5173.5-73.1-40.9000111.9N405 L406 I407 V411 K412 F413N405-N409 WeakPolarHBondContact O-CB 3.34Å; N405-N409 VanDerWaalsContact O-CG 3.25Å; N405-N409 PolarHBondContact O-N 3.18Å; N405-N409 PolarHBondContact O-ND2 2.97Å; N405-N409 PolarHBondContact OD1-ND2 2.87Å; L406-N409 PolarHBondContact O-N 3.44Å; I407-N409 VanDerWaalsContact C-N 3.27Å; I407-N409 PolarHBondContact O-N 2.82Å; N409-V411 PolarHBondContact O-N 3.49Å; N409-K412 WeakPolarHBondContact O-CA 3.44Å; N409-K412 WeakPolarHBondContact O-CB 3.45Å; N409-K412 PolarHBondContact O-N 3.42Å; N409-F413 HydrophobicContact CB-CD2 4.26Å; N409-F413 HydrophobicContact CB-CE2 4.21Å; N409-F413 WeakPolarHBondContact O-CD2 3.43Å; N409-F413 PolarHBondContact O-N 3.28Å
410A91.2Very high89Confident2 Ų245.6 Ų45.62%0.01722%0.221CC..Hα-helixtrans-56.2-49.2176.200000112L406 I407 K412 F413 T414 V419 V435 D437L406-A410 PolarHBondContact O-N 2.65Å; I407-A410 WeakPolarHBondContact O-CB 3.4Å; I407-A410 PolarHBondContact O-N 2.88Å; I407-A410 VanDerWaalsContact O-N 3.17Å; A410-K412 VanDerWaalsContact C-N 3.31Å; A410-K412 PolarHBondContact O-N 3.28Å; A410-F413 PolarHBondContact O-N 2.75Å; A410-T414 VanDerWaalsContact O-CB 3.32Å; A410-T414 WeakPolarHBondContact O-CB 3.48Å; A410-T414 PolarHBondContact O-N 3.01Å; A410-T414 PolarHBondContact O-OG1 3.49Å; A410-V419 HydrophobicContact CB-CG1 3.72Å; A410-V419 HydrophobicContact CB-CG2 3.95Å; A410-V435 HydrophobicContact CB-CG1 3.84Å; A410-D437 HydrophobicContact CB-CB 3.64Å
411V87.5Confident89.3Confident10 Ų1041.4 Ų41.46%0.06121%0.205CC..Hα-helixtrans-63.3-37.6174.7172.50000110.9A373 K376 L378 I407 N409 V419A373-V411 HydrophobicContact CB-CG2 4.44Å; K376-V411 HydrophobicContact CD-CG1 3.76Å; K376-V411 VanDerWaalsContact CD-O 3.3Å; K376-V411 WeakPolarHBondContact CD-O 3.34Å; K376-V411 WeakPolarHBondContact CE-O 3.48Å; K376-V411 HydrophobicContact CG-CG1 4.18Å; K376-V411 PolarHBondContact NZ-O 3.43Å; L378-V411 HydrophobicContact CD1-CG1 4.27Å; I407-V411 HydrophobicContact CG2-CG2 4.36Å; I407-V411 WeakPolarHBondContact O-CG2 3.32Å; I407-V411 PolarHBondContact O-N 3.41Å; N409-V411 PolarHBondContact O-N 3.49Å; V411-V419 HydrophobicContact CG2-CG2 4.12Å
412K84.2Confident89.8Confident55 Ų5542.6 Ų42.624%0.23921%0.207CC..Hα-helixtrans-63.9-44.9179.7-178.6179.6164.4-163.80112.3K376 S408 N409 A410 T467K376-K412 VanDerWaalsContact NZ-CA 3.29Å; K376-K412 PolarHBondContact NZ-O 2.74Å; S408-K412 WeakPolarHBondContact O-CB 3.34Å; S408-K412 PolarHBondContact O-N 3.34Å; N409-K412 WeakPolarHBondContact O-CA 3.44Å; N409-K412 WeakPolarHBondContact O-CB 3.45Å; N409-K412 PolarHBondContact O-N 3.42Å; A410-K412 VanDerWaalsContact C-N 3.31Å; A410-K412 PolarHBondContact O-N 3.28Å; K412-T467 WeakPolarHBondContact CE-O 3.45Å; K412-T467 VanDerWaalsContact NZ-C 3.34Å; K412-T467 PolarHBondContact NZ-O 2.89Å
413F86.5Confident89.9Confident73 Ų7342.6 Ų42.632%0.3221%0.207SC..Hα-helixtrans-91.7-7.8-173.7-65.4-67.1000114.4N409 A410 G439 I440 A466N409-F413 HydrophobicContact CB-CD2 4.26Å; N409-F413 HydrophobicContact CB-CE2 4.21Å; N409-F413 WeakPolarHBondContact O-CD2 3.43Å; N409-F413 PolarHBondContact O-N 3.28Å; A410-F413 PolarHBondContact O-N 2.75Å; F413-G439 WeakPolarHBondContact O-CA 3.3Å; F413-I440 HydrophobicContact CB-CG1 4.42Å; F413-I440 HydrophobicContact CD1-CD1 4.15Å; F413-I440 PolarHBondContact O-N 3.09Å; F413-A466 HydrophobicContact CE1-CB 3.57Å; F413-A466 HydrophobicContact CZ-CB 3.96Å
414T88.2Confident89.9Confident0 Ų046.8 Ų46.80%022%0.223CC..  trans-91.4122.6170.3-52.30000110.4L378 A410L378-T414 HydrophobicContact CD1-CG2 4Å; L378-T414 HydrophobicContact CD2-CG2 3.68Å; L378-T414 HydrophobicContact CG-CG2 4.48Å; A410-T414 VanDerWaalsContact O-CB 3.32Å; A410-T414 WeakPolarHBondContact O-CB 3.48Å; A410-T414 PolarHBondContact O-N 3.01Å; A410-T414 PolarHBondContact O-OG1 3.49Å
415Q84.7Confident90.1Very high166 Ų16643.4 Ų43.478%0.77621%0.211SC*.SBendtrans-92-42.9176.1-67.6-173.112.800112.4
416Q85.9Confident90.3Very high172 Ų17244.4 Ų44.480%0.80422%0.216SC*.SBendtrans-142.8144.1174.6-66.4-177.6-1.200107.6
417G90.8Very high89.5Confident40 Ų4053.7 Ų53.741%0.41226%0.259SS..SBendtrans127.8-140.3-178.800000111.6R379R379-G417 PolarHBondContact N-O 3.33Å; R379-G417 VanDerWaalsContact N-O 3.1Å
418Q93.2Very high88.9Confident74 Ų7456.4 Ų56.435%0.34629%0.287SS..EExtended strand (participates in β ladder)trans-139.7160-175.773.3-172.617.900112.9R379 S438R379-Q418 HydrophobicContact CB-CB 3.81Å; R379-Q418 CarbonylContact O-C 3.53Å; R379-Q418 WeakPolarHBondContact O-CA 3.48Å; R379-Q418 WeakPolarHBondContact O-CB 3.27Å; Q418-S438 PolarHBondContact N-OG 3.35Å; Q418-S438 PolarHBondContact O-N 3.05Å; Q418-S438 PolarHBondContact O-OG 2.98Å
419V94.5Very high89.1Confident0 Ų057.6 Ų57.60%029%0.291CS..EExtended strand (participates in β ladder)trans-119.6126.2167.21770000107.4R379 F380 N381 A410 V411 V435 E436R379-V419 PolarHBondContact O-N 3.48Å; F380-V419 WeakPolarHBondContact CA-O 3.5Å; F380-V419 HydrophobicContact CD2-CB 4.32Å; F380-V419 HydrophobicContact CD2-CG1 4.33Å; F380-V419 HydrophobicContact CE2-CG1 4.41Å; N381-V419 PolarHBondContact N-O 3.41Å; A410-V419 HydrophobicContact CB-CG1 3.72Å; A410-V419 HydrophobicContact CB-CG2 3.95Å; V411-V419 HydrophobicContact CG2-CG2 4.12Å; V419-V435 HydrophobicContact CG1-CG1 4.28Å; V419-E436 CarbonylContact C-O 3.47Å; V419-E436 VanDerWaalsContact CA-O 3.3Å; V419-E436 WeakPolarHBondContact CA-O 3.34Å
420T95.2Very high89.3Confident2 Ų257.9 Ų57.91%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-116.5131.2179.3-61.40000109.1N381 E383 R422 E436N381-T420 HydrophobicContact CB-CG2 4.27Å; N381-T420 CarbonylContact O-C 3.58Å; N381-T420 WeakPolarHBondContact O-CA 3.38Å; E383-T420 HydrophobicContact CG-CG2 4.09Å; E383-T420 WeakPolarHBondContact OE1-CG2 3.32Å; T420-R422 HydrophobicContact CG2-CG 4.17Å; T420-E436 PolarHBondContact N-O 2.87Å; T420-E436 PolarHBondContact O-N 3.18Å
421V95.2Very high89.5Confident0 Ų057.8 Ų57.80%029%0.29CS..EExtended strand (participates in β ladder)trans-110.1118172.1-179.10000108.3F380 N381 L382 E383 I407 V423 F433 E434 V435F380-V421 HydrophobicContact CE2-CG2 3.66Å; F380-V421 HydrophobicContact CZ-CB 4.28Å; F380-V421 HydrophobicContact CZ-CG2 3.77Å; N381-V421 PolarHBondContact O-N 2.9Å; L382-V421 CarbonylContact C-O 3.53Å; L382-V421 WeakPolarHBondContact CA-O 3.45Å; L382-V421 HydrophobicContact CD1-CB 3.81Å; L382-V421 HydrophobicContact CD1-CG1 3.8Å; E383-V421 PolarHBondContact N-O 2.89Å; I407-V421 HydrophobicContact CD1-CG2 3.91Å; I407-V421 HydrophobicContact CG1-CG2 4.02Å; V421-V423 HydrophobicContact CG1-CG2 4.19Å; V421-F433 HydrophobicContact CG1-CD1 4.49Å; V421-E434 CarbonylContact C-O 3.56Å; V421-E434 VanDerWaalsContact CA-O 3.27Å; V421-E434 WeakPolarHBondContact CA-O 3.28Å; V421-V435 HydrophobicContact CG2-CG1 4.45Å; V421-V435 HydrophobicContact CG2-CG2 4.28Å
422R95.5Very high89.9Confident73 Ų7358.5 Ų58.528%0.27529%0.293SS..EExtended strand (participates in β ladder)trans-101.6139.1172-48.7-164.3176.382.59.9110.1E383 T420 F433 E434 E436E383-R422 HydrophobicContact CB-CG 4.15Å; E383-R422 WeakPolarHBondContact O-CA 3.31Å; E383-R422 IonicContact OE2-CZ 2.68Å; E383-R422 IonicContact OE2-NE 2.9Å; E383-R422 PolarHBondContact OE2-NE 2.93Å; E383-R422 IonicContact OE2-NH2 2.6Å; T420-R422 HydrophobicContact CG2-CG 4.17Å; R422-F433 CarbonylContact O-C 3.54Å; R422-F433 WeakPolarHBondContact O-CA 3.46Å; R422-E434 HydrophobicContact CB-CB 4.2Å; R422-E434 PolarHBondContact N-O 3.25Å; R422-E434 PolarHBondContact O-N 3.1Å; R422-E436 IonicContact CZ-OE2 3.43Å; R422-E436 IonicContact NH1-OE2 3.96Å; R422-E436 PolarHBondContact NH1-OE2 2.91Å; R422-E436 IonicContact NH2-OE2 3.3Å; R422-E436 PolarHBondContact NH2-OE2 3.29Å
423V94.2Very high90.5Very high0 Ų055.9 Ų55.90%028%0.282CS..EExtended strand (participates in β ladder)trans-127.7129.7180-170.80000108.7F358 L362 L382 E383 P384 T385 L388 V421 H432 F433F358-V423 HydrophobicContact CE1-CG1 4.16Å; F358-V423 HydrophobicContact CZ-CG1 3.89Å; L362-V423 HydrophobicContact CD1-CG1 4.49Å; L362-V423 HydrophobicContact CD2-CG1 4.24Å; L362-V423 HydrophobicContact CD2-CG2 3.94Å; L382-V423 HydrophobicContact CD1-CG2 3.89Å; E383-V423 PolarHBondContact O-N 3.39Å; E383-V423 VanDerWaalsContact O-N 3.16Å; P384-V423 CarbonylContact C-O 3.57Å; P384-V423 WeakPolarHBondContact CA-O 3.36Å; T385-V423 PolarHBondContact N-O 3.41Å; L388-V423 HydrophobicContact CD1-CG1 4.37Å; L388-V423 HydrophobicContact CD2-CG1 4.35Å; V421-V423 HydrophobicContact CG1-CG2 4.19Å; V423-H432 WeakPolarHBondContact CA-O 3.32Å; V423-F433 HydrophobicContact CB-CD1 4.41Å; V423-F433 HydrophobicContact CB-CE1 4.38Å; V423-F433 HydrophobicContact CG1-CD1 4.12Å; V423-F433 HydrophobicContact CG1-CE1 3.78Å; V423-F433 HydrophobicContact CG1-CZ 4.09Å; V423-F433 HydrophobicContact CG2-CD1 3.62Å; V423-F433 HydrophobicContact CG2-CE1 3.68Å
424R93.3Very high91Very high89 Ų8955 Ų5534%0.33628%0.279SS..EExtended strand (participates in β ladder)trans-142.3152.1173.667.6-173.7-173.2102.220.7110.7T385 D426 H432T385-R424 HydrophobicContact CG2-CB 4.49Å; R424-D426 IonicContact CZ-OD1 3.58Å; R424-D426 IonicContact CZ-OD2 2.74Å; R424-D426 IonicContact NH1-OD1 2.76Å; R424-D426 PolarHBondContact NH1-OD1 2.94Å; R424-D426 IonicContact NH1-OD2 3.16Å; R424-D426 PolarHBondContact NH1-OD2 2.97Å; R424-D426 IonicContact NH2-OD1 2.63Å; R424-D426 IonicContact NH2-OD2 2.91Å; R424-D426 PolarHBondContact NH2-OD2 3.43Å; R424-H432 HydrophobicContact CG-CB 3.63Å; R424-H432 PolarHBondContact N-O 3.29Å; R424-H432 PolarHBondContact O-N 3.43Å
425Y91Very high91.4Very high50 Ų5055 Ų5520%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-116.1118.5175.3-171.7-110.2000108.5P389 D429 M430 L431 A505 S507P389-Y425 HydrophobicContact CG-CD1 4.27Å; P389-Y425 HydrophobicContact CG-CD2 3.98Å; P389-Y425 HydrophobicContact CG-CE1 4.4Å; P389-Y425 HydrophobicContact CG-CE2 4.07Å; P389-Y425 HydrophobicContact CG-CG 4.05Å; Y425-D429 WeakPolarHBondContact OH-CA 3.39Å; Y425-D429 PolarHBondContact OH-OD1 3.05Å; Y425-M430 WeakPolarHBondContact CD2-O 3.35Å; Y425-L431 HydrophobicContact CD2-CD2 3.62Å; Y425-L431 HydrophobicContact CD2-CG 3.78Å; Y425-L431 HydrophobicContact CE2-CD2 4.46Å; Y425-L431 HydrophobicContact CE2-CG 4.2Å; Y425-L431 HydrophobicContact CG-CD2 4.4Å; Y425-A505 WeakPolarHBondContact CE2-O 3.22Å; Y425-A505 PolarHBondContact OH-O 2.96Å; Y425-S507 WeakPolarHBondContact OH-CB 3.43Å; Y425-S507 PolarHBondContact OH-N 3.26Å
426D86.9Confident92Very high51 Ų5150.2 Ų50.227%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-99.5166.1-176.6-78.9-2.6000111.1R424 G428 M430 H432R424-D426 IonicContact CZ-OD1 3.58Å; R424-D426 IonicContact CZ-OD2 2.74Å; R424-D426 IonicContact NH1-OD1 2.76Å; R424-D426 PolarHBondContact NH1-OD1 2.94Å; R424-D426 IonicContact NH1-OD2 3.16Å; R424-D426 PolarHBondContact NH1-OD2 2.97Å; R424-D426 IonicContact NH2-OD1 2.63Å; R424-D426 IonicContact NH2-OD2 2.91Å; R424-D426 PolarHBondContact NH2-OD2 3.43Å; D426-G428 PolarHBondContact O-N 2.91Å; D426-M430 PolarHBondContact N-O 3.16Å; D426-H432 IonicContact OD2-CD2 3.73Å; D426-H432 IonicContact OD2-CE1 2.97Å; D426-H432 IonicContact OD2-NE2 2.88Å; D426-H432 PolarHBondContact OD2-NE2 2.96Å
427E77.5Confident92.4Very high197 Ų19742.4 Ų42.492%0.92122%0.22SC*.THydrogen-bonded Turntrans-57.4137.1169.8-65.6-178.8179.200111.1
428G78.9Confident92.5Very high57 Ų5742.6 Ų42.659%0.58822%0.215SC*.THydrogen-bonded Turntrans94.625.1-17900000114.9D426 M430D426-G428 PolarHBondContact O-N 2.91Å; G428-M430 VanDerWaalsContact C-N 3.32Å; G428-M430 PolarHBondContact O-N 3.34Å
429D88Confident92.3Very high64 Ų6439.5 Ų39.534%0.34220%0.203SC..THydrogen-bonded Turntrans64.433.4172.1-64.2-26.3000114.6Y425 H504 A505 P506Y425-D429 WeakPolarHBondContact OH-CA 3.39Å; Y425-D429 PolarHBondContact OH-OD1 3.05Å; D429-H504 CarbonylContact O-C 3.53Å; D429-H504 WeakPolarHBondContact O-CA 3.29Å; D429-A505 CarbonylContact O-C 3.57Å; D429-A505 PolarHBondContact O-N 2.69Å; D429-P506 HydrophobicContact CB-CB 4.2Å; D429-P506 HydrophobicContact CB-CG 4.19Å
430M93.1Very high92Very high40 Ų4043.5 Ų43.520%0.19722%0.224CC..EExtended strand (participates in β ladder)trans-107.5121.3-176.9-65.8-63-65.400111.5Y425 D426 G428 H432 I503 H504Y425-M430 WeakPolarHBondContact CD2-O 3.35Å; D426-M430 PolarHBondContact N-O 3.16Å; G428-M430 VanDerWaalsContact C-N 3.32Å; G428-M430 PolarHBondContact O-N 3.34Å; M430-H432 PolarHBondContact O-CD2 3.28Å; M430-I503 WeakPolarHBondContact CA-O 3.4Å; M430-H504 HydrophobicContact SD-CB 3.76Å
431L94.3Very high91.7Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-90.3131.1168.6-84.5174.5000110.2F358 V392 Y425 F433 T502 I503 A505F358-L431 HydrophobicContact CD2-CD1 4.09Å; F358-L431 HydrophobicContact CE1-CD2 3.71Å; F358-L431 HydrophobicContact CE2-CD1 3.51Å; F358-L431 HydrophobicContact CE2-CD2 4.1Å; F358-L431 HydrophobicContact CE2-CG 4.49Å; F358-L431 HydrophobicContact CZ-CD1 3.77Å; F358-L431 HydrophobicContact CZ-CD2 3.44Å; F358-L431 VanDerWaalsContact CZ-CD2 3.44Å; F358-L431 HydrophobicContact CZ-CG 4.28Å; V392-L431 HydrophobicContact CB-CD1 4.45Å; V392-L431 HydrophobicContact CG1-CD1 4.15Å; V392-L431 HydrophobicContact CG2-CD1 4.07Å; Y425-L431 HydrophobicContact CD2-CD2 3.62Å; Y425-L431 HydrophobicContact CD2-CG 3.78Å; Y425-L431 HydrophobicContact CE2-CD2 4.46Å; Y425-L431 HydrophobicContact CE2-CG 4.2Å; Y425-L431 HydrophobicContact CG-CD2 4.4Å; L431-F433 HydrophobicContact CB-CE2 4.13Å; L431-F433 HydrophobicContact CD1-CE2 4.42Å; L431-T502 WeakPolarHBondContact O-CA 3.4Å; L431-I503 HydrophobicContact CB-CD1 4.34Å; L431-I503 HydrophobicContact CB-CG1 3.82Å; L431-I503 HydrophobicContact CD1-CD1 4.31Å; L431-I503 PolarHBondContact N-O 2.92Å; L431-I503 PolarHBondContact O-N 3.27Å; L431-A505 HydrophobicContact CB-CB 4.41Å; L431-A505 HydrophobicContact CD1-CB 3.64Å; L431-A505 HydrophobicContact CG-CB 4.08Å
432H96.4Very high91.4Very high26 Ų2644.9 Ų44.912%0.1223%0.232CC..EExtended strand (participates in β ladder)trans-117128.5178.5-67.3-98.8000110.1V423 R424 D426 M430 L501 T502V423-H432 WeakPolarHBondContact CA-O 3.32Å; R424-H432 HydrophobicContact CG-CB 3.63Å; R424-H432 PolarHBondContact N-O 3.29Å; R424-H432 PolarHBondContact O-N 3.43Å; D426-H432 IonicContact OD2-CD2 3.73Å; D426-H432 IonicContact OD2-CE1 2.97Å; D426-H432 IonicContact OD2-NE2 2.88Å; D426-H432 PolarHBondContact OD2-NE2 2.96Å; M430-H432 PolarHBondContact O-CD2 3.28Å; H432-L501 WeakPolarHBondContact CA-O 3.27Å; H432-T502 VanDerWaalsContact CE1-CG2 3.49Å; H432-T502 WeakPolarHBondContact CE1-CG2 3.25Å; H432-T502 VanDerWaalsContact ND1-CG2 3.27Å; H432-T502 WeakPolarHBondContact ND1-CG2 3.46Å
433F97.2Very high91Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-121.6127.2172-67-97.8000109.4F358 F361 L362 L365 L399 L403 V421 R422 V423 L431 T500 L501F358-F433 AromaticContact CE2-CZ 3.78Å; F358-F433 HydrophobicContact CE2-CZ 3.78Å; F358-F433 HydrophobicContact CZ-CE1 4.4Å; F358-F433 HydrophobicContact CZ-CE2 4.43Å; F358-F433 AromaticContact CZ-CZ 3.68Å; F358-F433 HydrophobicContact CZ-CZ 3.68Å; F361-F433 HydrophobicContact CE1-CZ 4.44Å; L362-F433 HydrophobicContact CD2-CE1 3.93Å; L362-F433 HydrophobicContact CD2-CZ 4.46Å; L365-F433 HydrophobicContact CD2-CE1 4.3Å; L399-F433 HydrophobicContact CD1-CE2 4.13Å; L399-F433 HydrophobicContact CD2-CE2 4.36Å; L399-F433 HydrophobicContact CD2-CZ 4.44Å; L403-F433 HydrophobicContact CD1-CD1 3.89Å; L403-F433 HydrophobicContact CD1-CE1 3.66Å; L403-F433 HydrophobicContact CD1-CE2 4.32Å; L403-F433 HydrophobicContact CD1-CG 4.32Å; L403-F433 HydrophobicContact CD1-CZ 3.88Å; L403-F433 HydrophobicContact CD2-CB 3.71Å; L403-F433 HydrophobicContact CD2-CD1 3.69Å; L403-F433 HydrophobicContact CD2-CD2 4.21Å; L403-F433 HydrophobicContact CD2-CE1 4.33Å; L403-F433 HydrophobicContact CD2-CG 3.62Å; L403-F433 HydrophobicContact CG-CD1 4.47Å; V421-F433 HydrophobicContact CG1-CD1 4.49Å; R422-F433 CarbonylContact O-C 3.54Å; R422-F433 WeakPolarHBondContact O-CA 3.46Å; V423-F433 HydrophobicContact CB-CD1 4.41Å; V423-F433 HydrophobicContact CB-CE1 4.38Å; V423-F433 HydrophobicContact CG1-CD1 4.12Å; V423-F433 HydrophobicContact CG1-CE1 3.78Å; V423-F433 HydrophobicContact CG1-CZ 4.09Å; V423-F433 HydrophobicContact CG2-CD1 3.62Å; V423-F433 HydrophobicContact CG2-CE1 3.68Å; L431-F433 HydrophobicContact CB-CE2 4.13Å; L431-F433 HydrophobicContact CD1-CE2 4.42Å; F433-T500 CarbonylContact O-C 3.55Å; F433-T500 WeakPolarHBondContact O-CA 3.44Å; F433-L501 HydrophobicContact CB-CB 4.21Å; F433-L501 HydrophobicContact CB-CD2 4.43Å; F433-L501 HydrophobicContact CD2-CD2 4.17Å; F433-L501 PolarHBondContact N-O 3.05Å; F433-L501 PolarHBondContact O-N 3.03Å
434E97.5Very high90.7Very high54 Ų5450.3 Ų50.325%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-113.7115.3172.5-63.7-179.7175.700108.9V421 R422 T498 F499 T500V421-E434 CarbonylContact C-O 3.56Å; V421-E434 VanDerWaalsContact CA-O 3.27Å; V421-E434 WeakPolarHBondContact CA-O 3.28Å; R422-E434 HydrophobicContact CB-CB 4.2Å; R422-E434 PolarHBondContact N-O 3.25Å; R422-E434 PolarHBondContact O-N 3.1Å; E434-T498 HydrophobicContact CB-CG2 4.18Å; E434-F499 CarbonylContact C-O 3.47Å; E434-F499 WeakPolarHBondContact CA-O 3.24Å; E434-T500 HydrophobicContact CG-CG2 4.07Å
435V96.9Very high90.4Very high0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-100.9103.5174.1-175.90000107.7L406 I407 A410 V419 V421 T498 F499L406-V435 HydrophobicContact CB-CB 4.36Å; L406-V435 HydrophobicContact CB-CG2 3.98Å; L406-V435 HydrophobicContact CD1-CG2 4.36Å; I407-V435 HydrophobicContact CG1-CG1 4.06Å; I407-V435 HydrophobicContact CG1-CG2 4.12Å; A410-V435 HydrophobicContact CB-CG1 3.84Å; V419-V435 HydrophobicContact CG1-CG1 4.28Å; V421-V435 HydrophobicContact CG2-CG1 4.45Å; V421-V435 HydrophobicContact CG2-CG2 4.28Å; V435-T498 WeakPolarHBondContact O-CA 3.23Å; V435-F499 PolarHBondContact N-O 3.26Å; V435-F499 PolarHBondContact O-N 3.03Å
436E96.8Very high90.1Very high66 Ų6650 Ų5031%0.30827%0.27SS..EExtended strand (participates in β ladder)trans-97.1129.1177.1-178.5178.4175.600110.4V419 T420 R422 S497 T498V419-E436 CarbonylContact C-O 3.47Å; V419-E436 VanDerWaalsContact CA-O 3.3Å; V419-E436 WeakPolarHBondContact CA-O 3.34Å; T420-E436 PolarHBondContact N-O 2.87Å; T420-E436 PolarHBondContact O-N 3.18Å; R422-E436 IonicContact CZ-OE2 3.43Å; R422-E436 IonicContact NH1-OE2 3.96Å; R422-E436 PolarHBondContact NH1-OE2 2.91Å; R422-E436 IonicContact NH2-OE2 3.3Å; R422-E436 PolarHBondContact NH2-OE2 3.29Å; E436-S497 CarbonylContact C-O 3.37Å; E436-S497 WeakPolarHBondContact CA-O 3.38Å; E436-T498 HydrophobicContact CB-CG2 4.39Å
437D94.3Very high90.2Very high7 Ų749 Ų494%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-117.1146.8173.584.9-104000110A410 G439 G496 S497A410-D437 HydrophobicContact CB-CB 3.64Å; D437-G439 VanDerWaalsContact C-N 3.33Å; D437-G439 VanDerWaalsContact OD2-CA 3.24Å; D437-G439 WeakPolarHBondContact OD2-CA 3.24Å; D437-G439 PolarHBondContact OD2-N 3.08Å; D437-G496 CarbonylContact O-C 3.52Å; D437-G496 WeakPolarHBondContact O-CA 3.21Å; D437-S497 PolarHBondContact N-O 2.94Å; D437-S497 PolarHBondContact O-N 3.33Å; D437-S497 VanDerWaalsContact O-N 3.09Å; D437-S497 WeakPolarHBondContact OD1-CA 3.43Å; D437-S497 WeakPolarHBondContact OD1-CB 3.41Å; D437-S497 PolarHBondContact OD1-N 2.93Å; D437-S497 VanDerWaalsContact OD1-O 3.13Å; D437-S497 PolarHBondContact OD1-OG 3.09Å; D437-S497 VanDerWaalsContact OD1-OG 3.05Å
438S92.4Very high90.4Very high45 Ų4546.7 Ų46.732%0.31526%0.259SS..  trans-99.626.5175.5500000112.3Q418Q418-S438 PolarHBondContact N-OG 3.35Å; Q418-S438 PolarHBondContact O-N 3.05Å; Q418-S438 PolarHBondContact O-OG 2.98Å
439G88.5Confident90.4Very high9 Ų947.9 Ų47.99%0.09325%0.248CC..SBendtrans-81.9-153.3-173.500000114.2F413 D437 G441 G496F413-G439 WeakPolarHBondContact O-CA 3.3Å; D437-G439 VanDerWaalsContact C-N 3.33Å; D437-G439 VanDerWaalsContact OD2-CA 3.24Å; D437-G439 WeakPolarHBondContact OD2-CA 3.24Å; D437-G439 PolarHBondContact OD2-N 3.08Å; G439-G441 PolarHBondContact O-N 3.22Å; G439-G496 WeakPolarHBondContact O-CA 3.45Å; G439-G496 PolarHBondContact O-N 3.49Å
440I88.4Confident90.1Very high84 Ų8445.7 Ų45.743%0.43124%0.236SC..SBendtrans-66.7-17.1-174.158.6170.4000114.2F413 G494F413-I440 HydrophobicContact CB-CG1 4.42Å; F413-I440 HydrophobicContact CD1-CD1 4.15Å; F413-I440 PolarHBondContact O-N 3.09Å; I440-G494 PolarHBondContact O-N 2.91Å
441G89Confident89.7Confident7 Ų745 Ų457%0.07223%0.232CC..  trans62.9176.2-171.300000113.9G439 S491 G496G439-G441 PolarHBondContact O-N 3.22Å; G441-S491 VanDerWaalsContact CA-OG 3.3Å; G441-S491 WeakPolarHBondContact CA-OG 3.34Å; G441-G496 WeakPolarHBondContact CA-O 3.44Å
442I88.7Confident88.7Confident24 Ų2447.2 Ų47.212%0.12325%0.25CS..  trans-122.4132.4-172.9-54.6172.6000108.5E446 L447 I450 V457 V489 S491 F499I442-E446 HydrophobicContact CG2-CB 3.98Å; I442-L447 HydrophobicContact CB-CD2 3.86Å; I442-L447 HydrophobicContact CG2-CD2 3.81Å; I442-I450 HydrophobicContact CD1-CD1 3.78Å; I442-I450 HydrophobicContact CD1-CG2 4.48Å; I442-I450 HydrophobicContact CG2-CG2 4.08Å; I442-V457 HydrophobicContact CG2-CG2 4.33Å; I442-V489 HydrophobicContact CD1-CG2 4.36Å; I442-S491 PolarHBondContact N-OG 3.24Å; I442-F499 HydrophobicContact CD1-CE2 4.43Å; I442-F499 HydrophobicContact CD1-CZ 3.94Å
443P88.2Confident87.3Confident23 Ų2350.8 Ų50.815%0.14927%0.268CS..  trans-57.4142.9173.1-21.230.9000112.3D445 E446 L447 V457P443-D445 VanDerWaalsContact C-N 3.26Å; P443-D445 WeakPolarHBondContact CB-OD1 3.37Å; P443-D445 PolarHBondContact O-N 3.36Å; P443-E446 HydrophobicContact CB-CB 4.22Å; P443-E446 HydrophobicContact CB-CG 3.84Å; P443-E446 HydrophobicContact CG-CB 4.47Å; P443-E446 HydrophobicContact CG-CG 4.01Å; P443-E446 WeakPolarHBondContact O-CB 3.28Å; P443-E446 PolarHBondContact O-N 3.33Å; P443-L447 PolarHBondContact O-N 2.96Å; P443-V457 HydrophobicContact CG-CG1 4.38Å
444Q88.1Confident85.7Confident164 Ų16457.7 Ų57.777%0.76630%0.295SS*.G310 helixtrans-61.4-33.3-177.1-74.4-154.1-14.900113.6E446Q444-E446 PolarHBondContact O-N 3.38Å
445D85.9Confident84.2Confident112 Ų11258.3 Ų58.360%0.59930%0.296SS*.G310 helixtrans-72.6-5.6177.462.8-56.2000113.8P443 K449P443-D445 VanDerWaalsContact C-N 3.26Å; P443-D445 WeakPolarHBondContact CB-OD1 3.37Å; P443-D445 PolarHBondContact O-N 3.36Å; D445-K449 WeakPolarHBondContact O-CE 3.05Å; D445-K449 PolarHBondContact O-NZ 2.76Å
446E85.6Confident82.7Confident20 Ų2061.4 Ų61.49%0.09331%0.31CS..G310 helixtrans-108.5-17.6-177.3-63.3-74.2115.400112.8I442 P443 Q444 D448 K449 I450 Y455 V457I442-E446 HydrophobicContact CG2-CB 3.98Å; P443-E446 HydrophobicContact CB-CB 4.22Å; P443-E446 HydrophobicContact CB-CG 3.84Å; P443-E446 HydrophobicContact CG-CB 4.47Å; P443-E446 HydrophobicContact CG-CG 4.01Å; P443-E446 WeakPolarHBondContact O-CB 3.28Å; P443-E446 PolarHBondContact O-N 3.33Å; Q444-E446 PolarHBondContact O-N 3.38Å; E446-D448 VanDerWaalsContact C-N 3.33Å; E446-D448 PolarHBondContact O-N 2.96Å; E446-K449 WeakPolarHBondContact O-CB 3.46Å; E446-K449 PolarHBondContact O-N 3.48Å; E446-K449 IonicContact OE1-NZ 2.78Å; E446-K449 PolarHBondContact OE1-NZ 2.86Å; E446-I450 WeakPolarHBondContact O-CG2 3.21Å; E446-I450 PolarHBondContact O-N 2.78Å; E446-I450 VanDerWaalsContact O-N 3.15Å; E446-Y455 PolarHBondContact OE1-OH 2.86Å; E446-Y455 WeakPolarHBondContact OE2-CE1 3.3Å; E446-Y455 PolarHBondContact OE2-OH 2.73Å; E446-V457 HydrophobicContact CB-CG2 4.09Å; E446-V457 HydrophobicContact CG-CG1 4.26Å; E446-V457 HydrophobicContact CG-CG2 4.47Å
447L87.6Confident81.4Confident30 Ų3060.7 Ų60.716%0.15731%0.311CS..THydrogen-bonded Turntrans-56.7-38.7-174.3-67.9176.7000114.1I442 P443 K449 I450 V489I442-L447 HydrophobicContact CB-CD2 3.86Å; I442-L447 HydrophobicContact CG2-CD2 3.81Å; P443-L447 PolarHBondContact O-N 2.96Å; L447-K449 VanDerWaalsContact C-N 3.33Å; L447-I450 WeakPolarHBondContact O-CG1 3.24Å; L447-V489 HydrophobicContact CB-CG1 4.37Å; L447-V489 HydrophobicContact CD2-CG1 3.95Å; L447-V489 HydrophobicContact CD2-CG2 4.26Å
448D81.7Confident79.8Confident148 Ų14869.5 Ų69.579%0.79135%0.348SS*.THydrogen-bonded Turntrans-74-28.9177.3-72-31.8000112.1E446E446-D448 VanDerWaalsContact C-N 3.33Å; E446-D448 PolarHBondContact O-N 2.96Å
449K79.7Confident77.9Confident83 Ų8371.4 Ų71.436%0.36136%0.355SS..G310 helixtrans-82-25.9-173-57.8178.9-170.2128.70112.9D445 E446 L447 F451 A452 Y455D445-K449 WeakPolarHBondContact O-CE 3.05Å; D445-K449 PolarHBondContact O-NZ 2.76Å; E446-K449 WeakPolarHBondContact O-CB 3.46Å; E446-K449 PolarHBondContact O-N 3.48Å; E446-K449 IonicContact OE1-NZ 2.78Å; E446-K449 PolarHBondContact OE1-NZ 2.86Å; L447-K449 VanDerWaalsContact C-N 3.33Å; K449-F451 PolarHBondContact O-N 3.43Å; K449-F451 VanDerWaalsContact O-N 3.09Å; K449-A452 WeakPolarHBondContact O-CB 3.47Å; K449-A452 PolarHBondContact O-N 3.27Å; K449-Y455 HydrophobicContact CB-CD1 3.68Å; K449-Y455 HydrophobicContact CB-CD2 4.24Å; K449-Y455 HydrophobicContact CB-CE1 3.41Å; K449-Y455 VanDerWaalsContact CB-CE1 3.41Å; K449-Y455 HydrophobicContact CB-CE2 4.02Å; K449-Y455 HydrophobicContact CB-CG 4.08Å; K449-Y455 HydrophobicContact CD-CE1 4.15Å; K449-Y455 HydrophobicContact CD-CE2 3.89Å; K449-Y455 VanDerWaalsContact CD-OH 3.26Å; K449-Y455 WeakPolarHBondContact CD-OH 3.33Å; K449-Y455 HydrophobicContact CG-CE1 4.47Å; K449-Y455 WeakPolarHBondContact O-CB 3.33Å; K449-Y455 VanDerWaalsContact O-CD1 3.25Å; K449-Y455 WeakPolarHBondContact O-CD1 3.16Å
450I82.5Confident76.1Confident18 Ų1876 Ų769%0.09239%0.385CS..G310 helixtrans-60.6-23.5-177.470.4178.7000113.6I442 E446 L447 A452 V457 L473 V489 F499I442-I450 HydrophobicContact CD1-CD1 3.78Å; I442-I450 HydrophobicContact CD1-CG2 4.48Å; I442-I450 HydrophobicContact CG2-CG2 4.08Å; E446-I450 WeakPolarHBondContact O-CG2 3.21Å; E446-I450 PolarHBondContact O-N 2.78Å; E446-I450 VanDerWaalsContact O-N 3.15Å; L447-I450 WeakPolarHBondContact O-CG1 3.24Å; I450-A452 VanDerWaalsContact C-N 3.34Å; I450-V457 HydrophobicContact CG2-CG2 3.93Å; I450-L473 HydrophobicContact CB-CD2 4.06Å; I450-L473 HydrophobicContact CD1-CD2 3.77Å; I450-L473 HydrophobicContact CG1-CD2 3.67Å; I450-V489 HydrophobicContact CD1-CB 4.34Å; I450-V489 HydrophobicContact CD1-CG1 3.84Å; I450-V489 HydrophobicContact CD1-CG2 4.29Å; I450-F499 HydrophobicContact CD1-CE1 3.79Å; I450-F499 HydrophobicContact CD1-CZ 3.95Å
451F83.6Confident74Confident24 Ų2480.4 Ų80.411%0.10540%0.404CS..G310 helixtrans-85-6.8175.6-63.1-72.1000113.6K449 L473 A474 R477 I487 V489K449-F451 PolarHBondContact O-N 3.43Å; K449-F451 VanDerWaalsContact O-N 3.09Å; F451-L473 HydrophobicContact CD1-CD1 4.35Å; F451-L473 HydrophobicContact CD1-CD2 3.83Å; F451-L473 HydrophobicContact CD1-CG 3.66Å; F451-L473 HydrophobicContact CE1-CD1 3.93Å; F451-L473 HydrophobicContact CE1-CD2 3.81Å; F451-L473 HydrophobicContact CE1-CG 3.7Å; F451-L473 HydrophobicContact CZ-CD2 4.48Å; F451-A474 VanDerWaalsContact O-CB 3.28Å; F451-A474 WeakPolarHBondContact O-CB 3.24Å; F451-R477 HydrophobicContact CD1-CB 3.9Å; F451-R477 HydrophobicContact CD1-CG 4.16Å; F451-R477 HydrophobicContact CE1-CB 4.23Å; F451-R477 HydrophobicContact CE1-CG 4.39Å; F451-I487 HydrophobicContact CE1-CB 4.13Å; F451-I487 HydrophobicContact CE1-CG2 3.88Å; F451-I487 HydrophobicContact CZ-CG2 4.11Å; F451-I487 WeakPolarHBondContact CZ-O 3.49Å; F451-V489 HydrophobicContact CE2-CG1 3.82Å; F451-V489 HydrophobicContact CZ-CB 4.36Å; F451-V489 HydrophobicContact CZ-CG1 4.15Å
452A73.1Confident71.7Confident47 Ų4783.5 Ų83.539%0.38844%0.436SS..SBendtrans-74.9140.317500000110.4K449 I450 Y454 Y455K449-A452 WeakPolarHBondContact O-CB 3.47Å; K449-A452 PolarHBondContact O-N 3.27Å; I450-A452 VanDerWaalsContact C-N 3.34Å; A452-Y454 PolarHBondContact O-N 2.85Å; A452-Y455 VanDerWaalsContact O-CB 3.26Å; A452-Y455 WeakPolarHBondContact O-CB 3.22Å; A452-Y455 PolarHBondContact O-N 2.69Å
453M67.9Low69.2Low101 Ų10183.8 Ų83.850%0.49845%0.445SS..THydrogen-bonded Turntrans-62.6138.9178.9-65.6-174.4-68.400111M341 Y455 A474M341-M453 HydrophobicContact SD-SD 4.2Å; M453-Y455 PolarHBondContact O-N 3.31Å; M453-A474 HydrophobicContact CG-CB 3.83Å
454Y63.1Low66.9Low145 Ų14592 Ų9257%0.56948%0.479SS*.THydrogen-bonded Turntrans65.49.5-178.8-46.9-74.6000114.7A452 G470 I471A452-Y454 PolarHBondContact O-N 2.85Å; Y454-G470 PolarHBondContact N-O 3.3Å; Y454-I471 HydrophobicContact CD1-CD1 4.45Å; Y454-I471 HydrophobicContact CD1-CG1 4.17Å; Y454-I471 HydrophobicContact CE1-CD1 3.82Å; Y454-I471 HydrophobicContact CE1-CG1 3.93Å
455Y66.3Low64.8Low68 Ų6888.8 Ų88.827%0.26747%0.472SS..  trans-85.5135.5178.8-165.4-96.7000111.6E446 K449 A452 M453 V457E446-Y455 PolarHBondContact OE1-OH 2.86Å; E446-Y455 WeakPolarHBondContact OE2-CE1 3.3Å; E446-Y455 PolarHBondContact OE2-OH 2.73Å; K449-Y455 HydrophobicContact CB-CD1 3.68Å; K449-Y455 HydrophobicContact CB-CD2 4.24Å; K449-Y455 HydrophobicContact CB-CE1 3.41Å; K449-Y455 VanDerWaalsContact CB-CE1 3.41Å; K449-Y455 HydrophobicContact CB-CE2 4.02Å; K449-Y455 HydrophobicContact CB-CG 4.08Å; K449-Y455 HydrophobicContact CD-CE1 4.15Å; K449-Y455 HydrophobicContact CD-CE2 3.89Å; K449-Y455 VanDerWaalsContact CD-OH 3.26Å; K449-Y455 WeakPolarHBondContact CD-OH 3.33Å; K449-Y455 HydrophobicContact CG-CE1 4.47Å; K449-Y455 WeakPolarHBondContact O-CB 3.33Å; K449-Y455 VanDerWaalsContact O-CD1 3.25Å; K449-Y455 WeakPolarHBondContact O-CD1 3.16Å; A452-Y455 VanDerWaalsContact O-CB 3.26Å; A452-Y455 WeakPolarHBondContact O-CB 3.22Å; A452-Y455 PolarHBondContact O-N 2.69Å; M453-Y455 PolarHBondContact O-N 3.31Å; Y455-V457 HydrophobicContact CE1-CG2 4.33Å
456Q65.5Low63Low64 Ų6485.2 Ų85.230%0.29946%0.458SS..  trans-141.4132.7172.1-63.9-169.4-34.100109.3K458 A466 G468Q456-K458 PolarHBondContact O-N 2.57Å; Q456-A466 PolarHBondContact NE2-O 2.8Å; Q456-G468 PolarHBondContact NE2-O 2.86Å
457V68.2Low61.3Low52 Ų5290 Ų9032%0.31549%0.488SS..PPolyproline II helixtrans-62.8123.8174.7-175.40000108.2I442 P443 E446 I450 Y455I442-V457 HydrophobicContact CG2-CG2 4.33Å; P443-V457 HydrophobicContact CG-CG1 4.38Å; E446-V457 HydrophobicContact CB-CG2 4.09Å; E446-V457 HydrophobicContact CG-CG1 4.26Å; E446-V457 HydrophobicContact CG-CG2 4.47Å; I450-V457 HydrophobicContact CG2-CG2 3.93Å; Y455-V457 HydrophobicContact CE1-CG2 4.33Å
458K61.9Low59.8Low191 Ų19190.5 Ų90.583%0.8350%0.501SS*.PPolyproline II helixtrans-75.2130.3175.4-67.3-176-178.41780108.7Q456 S460Q456-K458 PolarHBondContact O-N 2.57Å; K458-S460 PolarHBondContact O-N 2.83Å
459D53.3Low58.7Low86 Ų8684.9 Ų84.946%0.4647%0.472SS..PPolyproline II helixtrans-65126.9177.6-137.2-13.8000109.8H461 G462D459-H461 PolarHBondContact O-N 2.86Å; D459-G462 PolarHBondContact O-N 2.84Å
460S48.9Very low57.9Low104 Ų10481.7 Ų81.773%0.72746%0.463SS*.THydrogen-bonded Turntrans-59.9-18.4178.1-59.10000112.8K458K458-S460 PolarHBondContact O-N 2.83Å
461H45.1Very low57.1Low177 Ų17781 Ų8182%0.81946%0.46SS*.THydrogen-bonded Turntrans-95.411.6179.4-70.991.1000114.3D459 G463D459-H461 PolarHBondContact O-N 2.86Å; H461-G463 PolarHBondContact O-N 3.42Å; H461-G463 VanDerWaalsContact O-N 3.16Å
462G40.2Very low56.6Low73 Ų7380.4 Ų80.475%0.75346%0.46SS*.  trans63.220.5-175.800000112.8D459D459-G462 PolarHBondContact O-N 2.84Å
463G36.7Very low57.1Low30 Ų3079.2 Ų79.231%0.30945%0.447SS..PPolyproline II helixtrans-57.5148171.100000110.5H461H461-G463 PolarHBondContact O-N 3.42Å; H461-G463 VanDerWaalsContact O-N 3.16Å
464K40.2Very low57.6Low196 Ų19675.1 Ų75.185%0.85243%0.429SS*.PPolyproline II helixtrans-51.2135.2175.1-73.6178.2178178.20108.6A466K464-A466 PolarHBondContact O-N 3.15Å; K464-A466 VanDerWaalsContact O-N 3.16Å
465P43.2Very low58.4Low96 Ų9668.7 Ų68.762%0.62341%0.405SS*.PPolyproline II helixtrans-46.2128.1171.9-23.931.2000109.2T467P465-T467 PolarHBondContact O-N 2.94Å; P465-T467 VanDerWaalsContact O-N 3.07Å
466A49.3Very low59.4Low36 Ų3665.6 Ų65.630%0.29839%0.393SS..PPolyproline II helixtrans-55.4119.9-178.300000108.9F413 Q456 K464 G468F413-A466 HydrophobicContact CE1-CB 3.57Å; F413-A466 HydrophobicContact CZ-CB 3.96Å; Q456-A466 PolarHBondContact NE2-O 2.8Å; K464-A466 PolarHBondContact O-N 3.15Å; K464-A466 VanDerWaalsContact O-N 3.16Å; A466-G468 PolarHBondContact O-N 2.96Å
467T49.1Very low60.6Low120 Ų12065.4 Ų65.474%0.73639%0.39SS*.SBendtrans-45.798.4-17644.20000112.7K412 P465K412-T467 WeakPolarHBondContact CE-O 3.45Å; K412-T467 VanDerWaalsContact NZ-C 3.34Å; K412-T467 PolarHBondContact NZ-O 2.89Å; P465-T467 PolarHBondContact O-N 2.94Å; P465-T467 VanDerWaalsContact O-N 3.07Å
468G55.9Low61.4Low41 Ų4167.8 Ų67.842%0.42339%0.393SS..SBendtrans-177.5165.8-175.400000111Q456 A466Q456-G468 PolarHBondContact NE2-O 2.86Å; A466-G468 PolarHBondContact O-N 2.96Å
469T58.7Low62.6Low30 Ų3058.9 Ų58.918%0.18435%0.354CS..  trans-90.2-21.2-177.351.70000113.5I334 I471I334-T469 HydrophobicContact CB-CG2 3.81Å; I334-T469 HydrophobicContact CD1-CG2 3.57Å; I334-T469 HydrophobicContact CG1-CG2 3.29Å; I334-T469 HydrophobicContact CG2-CG2 3.65Å; T469-I471 HydrophobicContact CG2-CD1 4.43Å; T469-I471 PolarHBondContact O-N 2.75Å; T469-I471 WeakPolarHBondContact OG1-CB 3.32Å; T469-I471 PolarHBondContact OG1-N 3.19Å; T469-I471 VanDerWaalsContact OG1-N 3.09Å
470G63.6Low64.5Low17 Ų1754.8 Ų54.818%0.17533%0.332CS..SBendtrans69.315.2-164.400000112.8Y454Y454-G470 PolarHBondContact N-O 3.3Å
471I64.3Low66.5Low4 Ų455.2 Ų55.22%0.02132%0.321CS..  trans-100.2-41.7178.7-58170.4000110.5D337 I338 Y454 T469 L473 A474 V475D337-I471 HydrophobicContact CB-CB 4.34Å; D337-I471 HydrophobicContact CB-CG2 3.94Å; I338-I471 HydrophobicContact CG1-CD1 4.14Å; Y454-I471 HydrophobicContact CD1-CD1 4.45Å; Y454-I471 HydrophobicContact CD1-CG1 4.17Å; Y454-I471 HydrophobicContact CE1-CD1 3.82Å; Y454-I471 HydrophobicContact CE1-CG1 3.93Å; T469-I471 HydrophobicContact CG2-CD1 4.43Å; T469-I471 PolarHBondContact O-N 2.75Å; T469-I471 WeakPolarHBondContact OG1-CB 3.32Å; T469-I471 PolarHBondContact OG1-N 3.19Å; T469-I471 VanDerWaalsContact OG1-N 3.09Å; I471-L473 PolarHBondContact O-N 3.18Å; I471-A474 WeakPolarHBondContact O-CB 3.46Å; I471-A474 PolarHBondContact O-N 3.47Å; I471-A474 VanDerWaalsContact O-N 3.07Å; I471-V475 HydrophobicContact CG2-CG2 3.54Å; I471-V475 PolarHBondContact O-N 2.85Å
472G73.9Confident68.5Low11 Ų1149.8 Ų49.811%0.11330%0.298CS..Hα-helixtrans-50.5-51.9-171.500000114.3N405 A474 V475 S476N405-G472 PolarHBondContact ND2-O 2.93Å; N405-G472 VanDerWaalsContact ND2-O 3.13Å; G472-A474 PolarHBondContact O-N 3.5Å; G472-V475 PolarHBondContact O-N 2.79Å; G472-S476 WeakPolarHBondContact O-CB 3.35Å; G472-S476 PolarHBondContact O-N 2.88Å; G472-S476 PolarHBondContact O-OG 3.38Å; G472-S476 VanDerWaalsContact O-OG 3.1Å
473L83.2Confident71Confident21 Ų2146.7 Ų46.711%0.1126%0.264CS..Hα-helixtrans-66.8-35.9-178.1-170.365.1000112.7N405 L406 I450 F451 I471 S476 R477 F499N405-L473 PolarHBondContact ND2-N 2.9Å; L406-L473 HydrophobicContact CD2-CD1 3.72Å; I450-L473 HydrophobicContact CB-CD2 4.06Å; I450-L473 HydrophobicContact CD1-CD2 3.77Å; I450-L473 HydrophobicContact CG1-CD2 3.67Å; F451-L473 HydrophobicContact CD1-CD1 4.35Å; F451-L473 HydrophobicContact CD1-CD2 3.83Å; F451-L473 HydrophobicContact CD1-CG 3.66Å; F451-L473 HydrophobicContact CE1-CD1 3.93Å; F451-L473 HydrophobicContact CE1-CD2 3.81Å; F451-L473 HydrophobicContact CE1-CG 3.7Å; F451-L473 HydrophobicContact CZ-CD2 4.48Å; I471-L473 PolarHBondContact O-N 3.18Å; L473-S476 PolarHBondContact O-N 2.95Å; L473-R477 WeakPolarHBondContact O-CB 3.47Å; L473-R477 PolarHBondContact O-N 3.04Å; L473-F499 HydrophobicContact CD1-CD1 4.28Å; L473-F499 HydrophobicContact CD1-CE1 4.03Å; L473-F499 HydrophobicContact CD2-CE1 3.89Å; L473-F499 HydrophobicContact CD2-CZ 4.49Å
474A78.3Confident73.5Confident15 Ų1547.6 Ų47.612%0.12427%0.274CS..Hα-helixtrans-65.2-41.6174.700000111.4F451 M453 I471 G472 R478F451-A474 VanDerWaalsContact O-CB 3.28Å; F451-A474 WeakPolarHBondContact O-CB 3.24Å; M453-A474 HydrophobicContact CG-CB 3.83Å; I471-A474 WeakPolarHBondContact O-CB 3.46Å; I471-A474 PolarHBondContact O-N 3.47Å; I471-A474 VanDerWaalsContact O-N 3.07Å; G472-A474 PolarHBondContact O-N 3.5Å; A474-R478 WeakPolarHBondContact O-CB 3.43Å; A474-R478 PolarHBondContact O-N 2.66Å; A474-R478 VanDerWaalsContact O-N 3.08Å
475V80.9Confident76.1Confident10 Ų1039 Ų396%0.06124%0.241CC..Hα-helixtrans-65.1-49174.7171.80000110.5M344 I471 G472 R477 R478 L479M344-V475 HydrophobicContact SD-CG1 4.27Å; I471-V475 HydrophobicContact CG2-CG2 3.54Å; I471-V475 PolarHBondContact O-N 2.85Å; G472-V475 PolarHBondContact O-N 2.79Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 PolarHBondContact O-N 3.46Å; V475-R478 PolarHBondContact O-N 2.97Å; V475-R478 VanDerWaalsContact O-N 3.13Å; V475-L479 HydrophobicContact CG1-CD1 3.97Å; V475-L479 HydrophobicContact CG1-CG 4.29Å; V475-L479 WeakPolarHBondContact O-CG 3.37Å; V475-L479 PolarHBondContact O-N 3.04Å
476S87.9Confident78.5Confident3 Ų336.1 Ų36.12%0.02122%0.22CC..Hα-helixtrans-55.6-46.7177.6-680000112.1N405 G472 L473 R478 L479 A480 I487N405-S476 PolarHBondContact ND2-OG 3.39Å; G472-S476 WeakPolarHBondContact O-CB 3.35Å; G472-S476 PolarHBondContact O-N 2.88Å; G472-S476 PolarHBondContact O-OG 3.38Å; G472-S476 VanDerWaalsContact O-OG 3.1Å; L473-S476 PolarHBondContact O-N 2.95Å; S476-R478 VanDerWaalsContact C-N 3.34Å; S476-R478 PolarHBondContact O-N 3.3Å; S476-L479 PolarHBondContact O-N 3.48Å; S476-A480 PolarHBondContact O-N 2.81Å; S476-I487 VanDerWaalsContact C-CD1 3.46Å
477R90Very high80.8Confident61 Ų6134.4 Ų34.423%0.2321%0.206CC..Hα-helixtrans-64.6-39.1178.3-172.8171-177.8179.38.1112.1F451 L473 V475 A480 K481 D486 I487F451-R477 HydrophobicContact CD1-CB 3.9Å; F451-R477 HydrophobicContact CD1-CG 4.16Å; F451-R477 HydrophobicContact CE1-CB 4.23Å; F451-R477 HydrophobicContact CE1-CG 4.39Å; L473-R477 WeakPolarHBondContact O-CB 3.47Å; L473-R477 PolarHBondContact O-N 3.04Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 PolarHBondContact O-N 3.46Å; R477-A480 PolarHBondContact O-N 3.06Å; R477-K481 WeakPolarHBondContact O-CG 3.33Å; R477-K481 PolarHBondContact O-N 3.44Å; R477-D486 WeakPolarHBondContact CG-OD1 3.2Å; R477-D486 IonicContact CZ-OD1 3.7Å; R477-D486 IonicContact CZ-OD2 2.69Å; R477-D486 IonicContact NE-OD1 2.81Å; R477-D486 PolarHBondContact NE-OD1 3.14Å; R477-D486 IonicContact NE-OD2 3.18Å; R477-D486 PolarHBondContact NE-OD2 3.43Å; R477-D486 IonicContact NH2-OD1 2.86Å; R477-D486 IonicContact NH2-OD2 3.73Å; R477-D486 PolarHBondContact NH2-OD2 3.42Å; R477-I487 HydrophobicContact CB-CB 4.25Å; R477-I487 HydrophobicContact CB-CD1 4.38Å; R477-I487 HydrophobicContact CB-CG1 4.48Å; R477-I487 HydrophobicContact CG-CB 4.18Å; R477-I487 PolarHBondContact NE-O 2.79Å
478R84.2Confident83Confident101 Ų10132 Ų3238%0.38119%0.191SC..Hα-helixtrans-69.1-36177.6-165.3-179175.4-170.7-3.7112M344 A474 V475 S476 N482M344-R478 HydrophobicContact CE-CB 3.68Å; M344-R478 VanDerWaalsContact CE-CD 3.45Å; M344-R478 HydrophobicContact CE-CG 3.38Å; M344-R478 PolarHBondContact O-NH2 2.85Å; M344-R478 HydrophobicContact SD-CG 4.47Å; A474-R478 WeakPolarHBondContact O-CB 3.43Å; A474-R478 PolarHBondContact O-N 2.66Å; A474-R478 VanDerWaalsContact O-N 3.08Å; V475-R478 PolarHBondContact O-N 2.97Å; V475-R478 VanDerWaalsContact O-N 3.13Å; S476-R478 VanDerWaalsContact C-N 3.34Å; S476-R478 PolarHBondContact O-N 3.3Å; R478-N482 PolarHBondContact O-N 3.4Å; R478-N482 VanDerWaalsContact O-N 3.1Å
479L88.1Confident84.8Confident4 Ų431 Ų312%0.02118%0.177CC..Hα-helixtrans-64.2-47.2171.8-71.9173.4000110.9M344 V349 R398 I402 V475 S476 K481 N482 M483M344-L479 HydrophobicContact CE-CD2 3.9Å; M344-L479 HydrophobicContact CE-CG 4.16Å; M344-L479 HydrophobicContact SD-CD2 4.4Å; V349-L479 HydrophobicContact CG1-CD2 4.47Å; R398-L479 HydrophobicContact CG-CD2 4.49Å; I402-L479 HydrophobicContact CD1-CB 3.77Å; I402-L479 HydrophobicContact CG1-CB 4.02Å; I402-L479 HydrophobicContact CG1-CD1 4.3Å; V475-L479 HydrophobicContact CG1-CD1 3.97Å; V475-L479 HydrophobicContact CG1-CG 4.29Å; V475-L479 WeakPolarHBondContact O-CG 3.37Å; V475-L479 PolarHBondContact O-N 3.04Å; S476-L479 PolarHBondContact O-N 3.48Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.33Å; L479-N482 WeakPolarHBondContact O-CB 3.33Å; L479-N482 PolarHBondContact O-N 3.4Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.24Å; L479-M483 PolarHBondContact O-N 3.25Å
480A92.1Very high86.5Confident0 Ų033.9 Ų33.90%020%0.195CC..Hα-helixtrans-56-43.3175.700000112.4I402 S476 R477 N482 M483 G484 G485 I487 L501I402-A480 HydrophobicContact CD1-CB 4.32Å; S476-A480 PolarHBondContact O-N 2.81Å; R477-A480 PolarHBondContact O-N 3.06Å; A480-N482 PolarHBondContact O-N 2.89Å; A480-M483 CarbonylContact O-C 3.55Å; A480-M483 WeakPolarHBondContact O-CA 3.44Å; A480-M483 PolarHBondContact O-N 3.36Å; A480-M483 VanDerWaalsContact O-N 3.08Å; A480-G484 PolarHBondContact O-N 3.26Å; A480-G485 CarbonylContact O-C 3.47Å; A480-G485 PolarHBondContact O-N 3.22Å; A480-I487 HydrophobicContact CB-CD1 4.28Å; A480-I487 HydrophobicContact CB-CG1 3.77Å; A480-L501 HydrophobicContact CB-CD1 3.46Å; A480-L501 VanDerWaalsContact CB-CD1 3.46Å
481K91.7Very high88Confident113 Ų11333.9 Ų33.949%0.49119%0.192SC..Hα-helixtrans-61.5-39.4174-74.5-174.2179.1-172.10113.9R477 L479 M483 G484 G485 D486R477-K481 WeakPolarHBondContact O-CG 3.33Å; R477-K481 PolarHBondContact O-N 3.44Å; L479-K481 VanDerWaalsContact C-N 3.3Å; L479-K481 PolarHBondContact O-N 3.33Å; K481-M483 VanDerWaalsContact C-N 3.26Å; K481-M483 PolarHBondContact O-N 3.08Å; K481-G484 PolarHBondContact O-N 3.5Å; K481-G485 VanDerWaalsContact CA-O 3.24Å; K481-G485 WeakPolarHBondContact CA-O 3.46Å; K481-D486 VanDerWaalsContact CE-CG 3.5Å; K481-D486 WeakPolarHBondContact CE-OD1 3.24Å
482N87.9Confident89.3Confident64 Ų6438.7 Ų38.734%0.34222%0.215SC..Hα-helixtrans-67.8-32.1174.7-70.3-14.5000111.3L351 R478 L479 A480 G484L351-N482 HydrophobicContact CD1-CB 4.43Å; L351-N482 WeakPolarHBondContact CD1-O 3.36Å; R478-N482 PolarHBondContact O-N 3.4Å; R478-N482 VanDerWaalsContact O-N 3.1Å; L479-N482 WeakPolarHBondContact O-CB 3.33Å; L479-N482 PolarHBondContact O-N 3.4Å; A480-N482 PolarHBondContact O-N 2.89Å; N482-G484 PolarHBondContact O-N 3.08Å
483M92.2Very high89.9Confident7 Ų744 Ų443%0.03424%0.236CC..THydrogen-bonded Turntrans-80.613.7175.6-62.1174.576.700113.4L351 T394 R398 L399 I402 L479 A480 K481 I503 H504L351-M483 HydrophobicContact CD1-CB 4.24Å; L351-M483 HydrophobicContact CD1-CG 3.74Å; L351-M483 HydrophobicContact CD2-CG 3.72Å; L351-M483 HydrophobicContact CG-CG 4.41Å; T394-M483 WeakPolarHBondContact OG1-CE 3.41Å; R398-M483 HydrophobicContact CB-SD 4.04Å; L399-M483 HydrophobicContact CB-CE 4.07Å; I402-M483 HydrophobicContact CD1-SD 3.8Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.24Å; L479-M483 PolarHBondContact O-N 3.25Å; A480-M483 CarbonylContact O-C 3.55Å; A480-M483 WeakPolarHBondContact O-CA 3.44Å; A480-M483 PolarHBondContact O-N 3.36Å; A480-M483 VanDerWaalsContact O-N 3.08Å; K481-M483 VanDerWaalsContact C-N 3.26Å; K481-M483 PolarHBondContact O-N 3.08Å; M483-I503 HydrophobicContact CB-CB 4.21Å; M483-I503 HydrophobicContact CB-CG2 3.9Å; M483-I503 HydrophobicContact CE-CD1 3.97Å; M483-I503 HydrophobicContact CE-CG2 4.24Å; M483-I503 HydrophobicContact SD-CG2 4.27Å; M483-H504 PolarHBondContact O-N 3Å
484G90Very high90Very high49 Ų4946 Ų4651%0.50526%0.262SS..THydrogen-bonded Turntrans82.210.4174.500000115.9A480 K481 N482A480-G484 PolarHBondContact O-N 3.26Å; K481-G484 PolarHBondContact O-N 3.5Å; N482-G484 PolarHBondContact O-N 3.08Å
485G93.1Very high90.6Very high16 Ų1651.7 Ų51.717%0.16528%0.284CS..  trans-132.1-145.6175.200000113.9A480 K481 T502A480-G485 CarbonylContact O-C 3.47Å; A480-G485 PolarHBondContact O-N 3.22Å; K481-G485 VanDerWaalsContact CA-O 3.24Å; K481-G485 WeakPolarHBondContact CA-O 3.46Å; G485-T502 CarbonylContact C-O 3.56Å; G485-T502 VanDerWaalsContact CA-O 3.23Å; G485-T502 WeakPolarHBondContact CA-O 3.39Å; G485-T502 WeakPolarHBondContact CA-OG1 3.41Å
486D95.3Very high91.1Very high35 Ų3551.5 Ų51.519%0.18728%0.284CS..EExtended strand (participates in β ladder)trans-156.3172.1177.8-158.47.4000110.8R477 K481 T502R477-D486 WeakPolarHBondContact CG-OD1 3.2Å; R477-D486 IonicContact CZ-OD1 3.7Å; R477-D486 IonicContact CZ-OD2 2.69Å; R477-D486 IonicContact NE-OD1 2.81Å; R477-D486 PolarHBondContact NE-OD1 3.14Å; R477-D486 IonicContact NE-OD2 3.18Å; R477-D486 PolarHBondContact NE-OD2 3.43Å; R477-D486 IonicContact NH2-OD1 2.86Å; R477-D486 IonicContact NH2-OD2 3.73Å; R477-D486 PolarHBondContact NH2-OD2 3.42Å; K481-D486 VanDerWaalsContact CE-CG 3.5Å; K481-D486 WeakPolarHBondContact CE-OD1 3.24Å; D486-T502 PolarHBondContact N-O 2.65Å; D486-T502 PolarHBondContact N-OG1 3.41Å; D486-T502 PolarHBondContact O-N 3.27Å; D486-T502 PolarHBondContact O-OG1 3.12Å
487I96.2Very high91.4Very high0 Ų051.6 Ų51.60%029%0.285CS..EExtended strand (participates in β ladder)trans-114.8123.8164.5-57178.4000108.4I402 L406 F451 S476 R477 A480 F499 T500 L501I402-I487 HydrophobicContact CG2-CD1 3.7Å; L406-I487 HydrophobicContact CD1-CD1 4.42Å; L406-I487 HydrophobicContact CD2-CD1 4.47Å; L406-I487 HydrophobicContact CD2-CG2 4.43Å; F451-I487 HydrophobicContact CE1-CB 4.13Å; F451-I487 HydrophobicContact CE1-CG2 3.88Å; F451-I487 HydrophobicContact CZ-CG2 4.11Å; F451-I487 WeakPolarHBondContact CZ-O 3.49Å; S476-I487 VanDerWaalsContact C-CD1 3.46Å; R477-I487 HydrophobicContact CB-CB 4.25Å; R477-I487 HydrophobicContact CB-CD1 4.38Å; R477-I487 HydrophobicContact CB-CG1 4.48Å; R477-I487 HydrophobicContact CG-CB 4.18Å; R477-I487 PolarHBondContact NE-O 2.79Å; A480-I487 HydrophobicContact CB-CD1 4.28Å; A480-I487 HydrophobicContact CB-CG1 3.77Å; I487-F499 HydrophobicContact CG2-CD1 4.23Å; I487-T500 CarbonylContact C-O 3.56Å; I487-T500 WeakPolarHBondContact CA-O 3.44Å; I487-L501 HydrophobicContact CD1-CD1 4.18Å; I487-L501 HydrophobicContact CG1-CB 4.39Å; I487-L501 HydrophobicContact CG1-CD1 3.66Å
488T94.8Very high91.8Very high70 Ų7050 Ų5043%0.42928%0.282SS..EExtended strand (participates in β ladder)trans-116.2165.1172.161.90000110.2F499 T500T488-F499 WeakPolarHBondContact O-CA 3.13Å; T488-T500 PolarHBondContact N-O 2.71Å; T488-T500 PolarHBondContact O-N 2.82Å
489V95Very high92.4Very high21 Ų2146.1 Ų46.113%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-139.7138.7-17862.70000109.9I442 L447 I450 F451 T498 F499I442-V489 HydrophobicContact CD1-CG2 4.36Å; L447-V489 HydrophobicContact CB-CG1 4.37Å; L447-V489 HydrophobicContact CD2-CG1 3.95Å; L447-V489 HydrophobicContact CD2-CG2 4.26Å; I450-V489 HydrophobicContact CD1-CB 4.34Å; I450-V489 HydrophobicContact CD1-CG1 3.84Å; I450-V489 HydrophobicContact CD1-CG2 4.29Å; F451-V489 HydrophobicContact CE2-CG1 3.82Å; F451-V489 HydrophobicContact CZ-CB 4.36Å; F451-V489 HydrophobicContact CZ-CG1 4.15Å; V489-T498 WeakPolarHBondContact CA-O 3.33Å; V489-F499 HydrophobicContact CB-CD1 3.91Å; V489-F499 HydrophobicContact CB-CE1 3.84Å; V489-F499 HydrophobicContact CB-CZ 4.42Å; V489-F499 HydrophobicContact CG2-CD1 3.93Å; V489-F499 HydrophobicContact CG2-CD2 4.31Å; V489-F499 HydrophobicContact CG2-CE1 3.64Å; V489-F499 HydrophobicContact CG2-CE2 4.05Å; V489-F499 HydrophobicContact CG2-CG 4.26Å; V489-F499 HydrophobicContact CG2-CZ 3.71Å
490T94Very high92.8Very high89 Ų8947.1 Ų47.155%0.54627%0.274SS..EExtended strand (participates in β ladder)trans-123.2139.8163.256.90000107.7S497 T498T490-S497 CarbonylContact O-C 3.58Å; T490-S497 WeakPolarHBondContact O-CA 2.94Å; T490-T498 PolarHBondContact N-O 3.31Å; T490-T498 PolarHBondContact O-N 2.81Å
491S95.2Very high93.1Very high18 Ų1847.1 Ų47.113%0.12627%0.274CS..EExtended strand (participates in β ladder)trans-156.4149.2-178-171.60000111.2G441 I442 G496 S497G441-S491 VanDerWaalsContact CA-OG 3.3Å; G441-S491 WeakPolarHBondContact CA-OG 3.34Å; I442-S491 PolarHBondContact N-OG 3.24Å; S491-G496 PolarHBondContact OG-O 3.48Å; S491-S497 WeakPolarHBondContact OG-CB 3.36Å; S491-S497 PolarHBondContact OG-OG 2.77Å
492E90.8Very high93.3Very high105 Ų10543.1 Ų43.149%0.49126%0.259SS..EExtended strand (participates in β ladder)trans-128.3127.3170.5-170.5-178.2159.400109G494 K495 G496E492-G494 PolarHBondContact O-N 3.48Å; E492-K495 HydrophobicContact CB-CB 4.25Å; E492-K495 HydrophobicContact CB-CD 4.45Å; E492-K495 VanDerWaalsContact CD-CE 3.42Å; E492-K495 HydrophobicContact CG-CD 4.27Å; E492-K495 HydrophobicContact CG-CG 4.44Å; E492-K495 PolarHBondContact O-N 3.34Å; E492-K495 WeakPolarHBondContact OE1-CE 3.32Å; E492-K495 IonicContact OE1-NZ 2.76Å; E492-K495 PolarHBondContact OE1-NZ 2.83Å; E492-K495 WeakPolarHBondContact OE2-CD 3.26Å; E492-K495 WeakPolarHBondContact OE2-CE 3.34Å; E492-K495 IonicContact OE2-NZ 3.8Å; E492-K495 PolarHBondContact OE2-NZ 3.43Å; E492-G496 PolarHBondContact N-O 3.39Å; E492-G496 PolarHBondContact O-N 3.05Å
493Q87.7Confident93.7Very high122 Ų12240 Ų4057%0.5724%0.242SC*.THydrogen-bonded Turntrans-59.5126-177.5-169.2174.455.700110.9K495Q493-K495 VanDerWaalsContact C-N 3.32Å
494G85.3Confident93.8Very high62 Ų6243.7 Ų43.764%0.63926%0.259SS*.THydrogen-bonded Turntrans83.6-4.9-17700000115.5I440 E492I440-G494 PolarHBondContact O-N 2.91Å; E492-G494 PolarHBondContact O-N 3.48Å
495K89.8Confident93.9Very high135 Ų13541.4 Ų41.459%0.58724%0.235SC*.THydrogen-bonded Turntrans-112.1-18.5175.6-60.4-168-169.8158.30114E492 Q493E492-K495 HydrophobicContact CB-CB 4.25Å; E492-K495 HydrophobicContact CB-CD 4.45Å; E492-K495 VanDerWaalsContact CD-CE 3.42Å; E492-K495 HydrophobicContact CG-CD 4.27Å; E492-K495 HydrophobicContact CG-CG 4.44Å; E492-K495 PolarHBondContact O-N 3.34Å; E492-K495 WeakPolarHBondContact OE1-CE 3.32Å; E492-K495 IonicContact OE1-NZ 2.76Å; E492-K495 PolarHBondContact OE1-NZ 2.83Å; E492-K495 WeakPolarHBondContact OE2-CD 3.26Å; E492-K495 WeakPolarHBondContact OE2-CE 3.34Å; E492-K495 IonicContact OE2-NZ 3.8Å; E492-K495 PolarHBondContact OE2-NZ 3.43Å; Q493-K495 VanDerWaalsContact C-N 3.32Å
496G91.6Very high93.8Very high6 Ų642.1 Ų42.16%0.06224%0.237CC..EExtended strand (participates in β ladder)trans113.2-164.317800000113.4D437 G439 G441 S491 E492D437-G496 CarbonylContact O-C 3.52Å; D437-G496 WeakPolarHBondContact O-CA 3.21Å; G439-G496 WeakPolarHBondContact O-CA 3.45Å; G439-G496 PolarHBondContact O-N 3.49Å; G441-G496 WeakPolarHBondContact CA-O 3.44Å; S491-G496 PolarHBondContact OG-O 3.48Å; E492-G496 PolarHBondContact N-O 3.39Å; E492-G496 PolarHBondContact O-N 3.05Å
497S95.1Very high93.3Very high6 Ų642.4 Ų42.44%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-142.8149.3-173.5-22.50000111.3E436 D437 T490 S491E436-S497 CarbonylContact C-O 3.37Å; E436-S497 WeakPolarHBondContact CA-O 3.38Å; D437-S497 PolarHBondContact N-O 2.94Å; D437-S497 PolarHBondContact O-N 3.33Å; D437-S497 VanDerWaalsContact O-N 3.09Å; D437-S497 WeakPolarHBondContact OD1-CA 3.43Å; D437-S497 WeakPolarHBondContact OD1-CB 3.41Å; D437-S497 PolarHBondContact OD1-N 2.93Å; D437-S497 VanDerWaalsContact OD1-O 3.13Å; D437-S497 PolarHBondContact OD1-OG 3.09Å; D437-S497 VanDerWaalsContact OD1-OG 3.05Å; T490-S497 CarbonylContact O-C 3.58Å; T490-S497 WeakPolarHBondContact O-CA 2.94Å; S491-S497 WeakPolarHBondContact OG-CB 3.36Å; S491-S497 PolarHBondContact OG-OG 2.77Å
498T96.9Very high92.3Very high27 Ų2744.7 Ų44.717%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-121116.8172.4-540000108.7E434 V435 E436 V489 T490E434-T498 HydrophobicContact CB-CG2 4.18Å; V435-T498 WeakPolarHBondContact O-CA 3.23Å; E436-T498 HydrophobicContact CB-CG2 4.39Å; V489-T498 WeakPolarHBondContact CA-O 3.33Å; T490-T498 PolarHBondContact N-O 3.31Å; T490-T498 PolarHBondContact O-N 2.81Å
499F97Very high90.6Very high19 Ų1945.4 Ų45.48%0.08327%0.269CS..EExtended strand (participates in β ladder)trans-98120.9172.6-72.7-93.5000109.6L406 E434 V435 I442 I450 L473 I487 T488 V489L406-F499 HydrophobicContact CD1-CB 4.39Å; L406-F499 HydrophobicContact CD2-CB 4.14Å; L406-F499 HydrophobicContact CD2-CD1 4.13Å; L406-F499 HydrophobicContact CD2-CG 4.18Å; E434-F499 CarbonylContact C-O 3.47Å; E434-F499 WeakPolarHBondContact CA-O 3.24Å; V435-F499 PolarHBondContact N-O 3.26Å; V435-F499 PolarHBondContact O-N 3.03Å; I442-F499 HydrophobicContact CD1-CE2 4.43Å; I442-F499 HydrophobicContact CD1-CZ 3.94Å; I450-F499 HydrophobicContact CD1-CE1 3.79Å; I450-F499 HydrophobicContact CD1-CZ 3.95Å; L473-F499 HydrophobicContact CD1-CD1 4.28Å; L473-F499 HydrophobicContact CD1-CE1 4.03Å; L473-F499 HydrophobicContact CD2-CE1 3.89Å; L473-F499 HydrophobicContact CD2-CZ 4.49Å; I487-F499 HydrophobicContact CG2-CD1 4.23Å; T488-F499 WeakPolarHBondContact O-CA 3.13Å; V489-F499 HydrophobicContact CB-CD1 3.91Å; V489-F499 HydrophobicContact CB-CE1 3.84Å; V489-F499 HydrophobicContact CB-CZ 4.42Å; V489-F499 HydrophobicContact CG2-CD1 3.93Å; V489-F499 HydrophobicContact CG2-CD2 4.31Å; V489-F499 HydrophobicContact CG2-CE1 3.64Å; V489-F499 HydrophobicContact CG2-CE2 4.05Å; V489-F499 HydrophobicContact CG2-CG 4.26Å; V489-F499 HydrophobicContact CG2-CZ 3.71Å
500T97.3Very high88.4Confident25 Ų2550.4 Ų50.415%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-103.8112178-530000109F433 E434 I487 T488 T502F433-T500 CarbonylContact O-C 3.55Å; F433-T500 WeakPolarHBondContact O-CA 3.44Å; E434-T500 HydrophobicContact CG-CG2 4.07Å; I487-T500 CarbonylContact C-O 3.56Å; I487-T500 WeakPolarHBondContact CA-O 3.44Å; T488-T500 PolarHBondContact N-O 2.71Å; T488-T500 PolarHBondContact O-N 2.82Å; T500-T502 HydrophobicContact CG2-CG2 4.34Å
501L97.4Very high85.7Confident0 Ų054.5 Ų54.50%030%0.304CS..EExtended strand (participates in β ladder)trans-93.4132.9169167.468.7000109.1L399 I402 L403 L406 H432 F433 A480 I487 I503L399-L501 HydrophobicContact CD1-CD2 3.85Å; I402-L501 HydrophobicContact CB-CD2 4.37Å; I402-L501 HydrophobicContact CD1-CD1 4.46Å; I402-L501 HydrophobicContact CG2-CD1 3.91Å; I402-L501 HydrophobicContact CG2-CD2 3.64Å; I402-L501 HydrophobicContact CG2-CG 4.32Å; L403-L501 HydrophobicContact CD2-CD2 3.67Å; L403-L501 HydrophobicContact CG-CD2 4.12Å; L406-L501 HydrophobicContact CD1-CB 4.18Å; H432-L501 WeakPolarHBondContact CA-O 3.27Å; F433-L501 HydrophobicContact CB-CB 4.21Å; F433-L501 HydrophobicContact CB-CD2 4.43Å; F433-L501 HydrophobicContact CD2-CD2 4.17Å; F433-L501 PolarHBondContact N-O 3.05Å; F433-L501 PolarHBondContact O-N 3.03Å; A480-L501 HydrophobicContact CB-CD1 3.46Å; A480-L501 VanDerWaalsContact CB-CD1 3.46Å; I487-L501 HydrophobicContact CD1-CD1 4.18Å; I487-L501 HydrophobicContact CG1-CB 4.39Å; I487-L501 HydrophobicContact CG1-CD1 3.66Å; L501-I503 HydrophobicContact CD1-CG2 3.89Å; L501-I503 HydrophobicContact CG-CG2 4.27Å
502T96.9Very high83.1Confident29 Ų2957.3 Ų57.318%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-120.5141.9166.866.50000109.4L431 H432 G485 D486 T500L431-T502 WeakPolarHBondContact O-CA 3.4Å; H432-T502 VanDerWaalsContact CE1-CG2 3.49Å; H432-T502 WeakPolarHBondContact CE1-CG2 3.25Å; H432-T502 VanDerWaalsContact ND1-CG2 3.27Å; H432-T502 WeakPolarHBondContact ND1-CG2 3.46Å; G485-T502 CarbonylContact C-O 3.56Å; G485-T502 VanDerWaalsContact CA-O 3.23Å; G485-T502 WeakPolarHBondContact CA-O 3.39Å; G485-T502 WeakPolarHBondContact CA-OG1 3.41Å; D486-T502 PolarHBondContact N-O 2.65Å; D486-T502 PolarHBondContact N-OG1 3.41Å; D486-T502 PolarHBondContact O-N 3.27Å; D486-T502 PolarHBondContact O-OG1 3.12Å; T500-T502 HydrophobicContact CG2-CG2 4.34Å
503I95.4Very high80.5Confident0 Ų058.1 Ų58.10%033%0.327CS..EExtended strand (participates in β ladder)trans-141.7151.6171.360.5161.1000109.7L399 M430 L431 M483 L501 A505L399-I503 HydrophobicContact CD1-CD1 3.69Å; L399-I503 HydrophobicContact CD2-CD1 3.74Å; L399-I503 HydrophobicContact CG-CD1 4.22Å; M430-I503 WeakPolarHBondContact CA-O 3.4Å; L431-I503 HydrophobicContact CB-CD1 4.34Å; L431-I503 HydrophobicContact CB-CG1 3.82Å; L431-I503 HydrophobicContact CD1-CD1 4.31Å; L431-I503 PolarHBondContact N-O 2.92Å; L431-I503 PolarHBondContact O-N 3.27Å; M483-I503 HydrophobicContact CB-CB 4.21Å; M483-I503 HydrophobicContact CB-CG2 3.9Å; M483-I503 HydrophobicContact CE-CD1 3.97Å; M483-I503 HydrophobicContact CE-CG2 4.24Å; M483-I503 HydrophobicContact SD-CG2 4.27Å; L501-I503 HydrophobicContact CD1-CG2 3.89Å; L501-I503 HydrophobicContact CG-CG2 4.27Å; I503-A505 HydrophobicContact CD1-CB 4.01Å; I503-A505 HydrophobicContact CG1-CB 4.34Å
504H94Very high77.7Confident84 Ų8458.5 Ų58.539%0.38933%0.333SS..EExtended strand (participates in β ladder)trans-86.1117.3169.2-179.3-93.3000108.7D429 M430 M483 P506D429-H504 CarbonylContact O-C 3.53Å; D429-H504 WeakPolarHBondContact O-CA 3.29Å; M430-H504 HydrophobicContact SD-CB 3.76Å; M483-H504 PolarHBondContact O-N 3Å; H504-P506 VanDerWaalsContact CE1-CG 3.4Å; H504-P506 WeakPolarHBondContact CE1-CG 3.34Å
505A92.8Very high75.2Confident0 Ų059.4 Ų59.40%034%0.335CS..  trans-145.885-17500000109.3V392 Y425 D429 L431 I503 S507V392-A505 HydrophobicContact CB-CB 4.13Å; V392-A505 HydrophobicContact CG2-CB 4.42Å; Y425-A505 WeakPolarHBondContact CE2-O 3.22Å; Y425-A505 PolarHBondContact OH-O 2.96Å; D429-A505 CarbonylContact O-C 3.57Å; D429-A505 PolarHBondContact O-N 2.69Å; L431-A505 HydrophobicContact CB-CB 4.41Å; L431-A505 HydrophobicContact CD1-CB 3.64Å; L431-A505 HydrophobicContact CG-CB 4.08Å; I503-A505 HydrophobicContact CD1-CB 4.01Å; I503-A505 HydrophobicContact CG1-CB 4.34Å; A505-S507 PolarHBondContact O-N 3.05Å
506P90.7Very high72.5Confident31 Ų3160.4 Ų60.420%0.20134%0.339CS..  trans-55.4129.5179.7-25.335.3000111.6V392 I393 D429 H504 V508V392-P506 CarbonylContact C-O 3.54Å; V392-P506 WeakPolarHBondContact CA-O 3.22Å; I393-P506 PolarHBondContact N-O 3.47Å; I393-P506 WeakPolarHBondContact O-CD 3.25Å; D429-P506 HydrophobicContact CB-CB 4.2Å; D429-P506 HydrophobicContact CB-CG 4.19Å; H504-P506 VanDerWaalsContact CE1-CG 3.4Å; H504-P506 WeakPolarHBondContact CE1-CG 3.34Å; P506-V508 PolarHBondContact O-N 3.44Å
507S85Confident69.6Low42 Ų4266.6 Ų66.629%0.29437%0.371SS..BIsolated β-bridgetrans-59.9133.7166.3-172.90000108P389 Q391 Y425 A505 A509P389-S507 VanDerWaalsContact CB-OG 3.29Å; P389-S507 WeakPolarHBondContact CB-OG 3.33Å; Q391-S507 WeakPolarHBondContact O-CA 3.2Å; Y425-S507 WeakPolarHBondContact OH-CB 3.43Å; Y425-S507 PolarHBondContact OH-N 3.26Å; A505-S507 PolarHBondContact O-N 3.05Å; S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.22Å
508V75.1Confident66.7Low48 Ų4875.1 Ų75.129%0.29141%0.41SS..  trans-69.3104.8160.4-174.50000104.2P355 Q391 I393 P506 E510P355-V508 HydrophobicContact CB-CG2 4.45Å; Q391-V508 HydrophobicContact CB-CB 4.16Å; Q391-V508 HydrophobicContact CB-CG2 4.14Å; Q391-V508 PolarHBondContact O-N 3.34Å; Q391-V508 VanDerWaalsContact O-N 3.07Å; I393-V508 HydrophobicContact CD1-CG2 4.04Å; I393-V508 HydrophobicContact CG1-CG2 3.62Å; P506-V508 PolarHBondContact O-N 3.44Å; V508-E510 PolarHBondContact O-N 2.96Å
509A60Low63.9Low84 Ų8480.1 Ų80.169%0.69444%0.436SS*.  trans-62.8102.7160.300000103.5S507 E511S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.22Å; A509-E511 PolarHBondContact O-N 2.98Å
510E48.7Very low61Low126 Ų12686.3 Ų86.359%0.58947%0.47SS*.  trans-56.4104.1156.2-73.5-177.8164.200103.5V508 V512V508-E510 PolarHBondContact O-N 2.96Å; E510-V512 HydrophobicContact CB-CB 4.39Å; E510-V512 HydrophobicContact CB-CG2 3.47Å; E510-V512 VanDerWaalsContact CB-CG2 3.47Å; E510-V512 HydrophobicContact CG-CG2 4.32Å; E510-V512 PolarHBondContact O-N 3.27Å; E510-V512 VanDerWaalsContact OE2-CG2 3.26Å; E510-V512 WeakPolarHBondContact OE2-CG2 3.34Å
511E37.9Very low58.3Low176 Ų17692.7 Ų92.782%0.82250%0.5SS*.  -51.274.6122.6-69.4176.3-178.100104.4A509 D513A509-E511 PolarHBondContact O-N 2.98Å; E511-D513 PolarHBondContact O-N 3.38Å
512V40Very low56.1Low76 Ų7697.7 Ų97.746%0.46153%0.532SS..  trans-59.192.5139.5-176.9000098.3E510 D514 F516E510-V512 HydrophobicContact CB-CB 4.39Å; E510-V512 HydrophobicContact CB-CG2 3.47Å; E510-V512 VanDerWaalsContact CB-CG2 3.47Å; E510-V512 HydrophobicContact CG-CG2 4.32Å; E510-V512 PolarHBondContact O-N 3.27Å; E510-V512 VanDerWaalsContact OE2-CG2 3.26Å; E510-V512 WeakPolarHBondContact OE2-CG2 3.34Å; V512-D514 PolarHBondContact O-N 3.1Å; V512-F516 HydrophobicContact CG1-CD2 4.34Å; V512-F516 HydrophobicContact CG1-CE2 3.82Å
513D35Very low54.1Low122 Ų12298.3 Ų98.365%0.65253%0.534SS*.  trans-36.6130.7164-122.9-28.7000103.7E511 A515E511-D513 PolarHBondContact O-N 3.38Å; D513-A515 HydrophobicContact CB-CB 4.11Å; D513-A515 PolarHBondContact O-N 2.94Å
514D30Very low52.6Low130 Ų130100.7 Ų100.770%0.69555%0.55SS*.SBendtrans-59.930.7168.7-72.5-48.3000110.8V512 F516 D517V512-D514 PolarHBondContact O-N 3.1Å; D514-F516 PolarHBondContact O-N 2.93Å; D514-D517 WeakPolarHBondContact O-CB 3.33Å; D514-D517 PolarHBondContact O-N 2.85Å
515A31.7Very low51.7Low81 Ų81100.3 Ų100.367%0.66956%0.562SS**THydrogen-bonded Turntrans-63.820.1157.300000113D513D513-A515 HydrophobicContact CB-CB 4.11Å; D513-A515 PolarHBondContact O-N 2.94Å
516F33.6Very low51.2Low156 Ų156100.5 Ų100.568%0.68456%0.563SS**THydrogen-bonded Turntrans-72.5-3.7143.8-72.1-73000112V512 D514 E518V512-F516 HydrophobicContact CG1-CD2 4.34Å; V512-F516 HydrophobicContact CG1-CE2 3.82Å; D514-F516 PolarHBondContact O-N 2.93Å; F516-E518 VanDerWaalsContact C-N 3.33Å; F516-E518 PolarHBondContact O-N 3.34Å
517D31.8Very low51.1Low136 Ų136102.4 Ų102.473%0.72757%0.571SS**SBendtrans-75.683165.1-74.9-23.9000110.1D514D514-D517 WeakPolarHBondContact O-CB 3.33Å; D514-D517 PolarHBondContact O-N 2.85Å
518E34.1Very low51.4Low185 Ų185100.5 Ų100.586%0.86456%0.557SS**SBend173.1-8.4119-92.8-177.2175.900114.6F516F516-E518 VanDerWaalsContact C-N 3.33Å; F516-E518 PolarHBondContact O-N 3.34Å
519D38.1Very low52.3Low133 Ų13398.3 Ų98.371%0.71154%0.544SS*.  trans-11763.3171.2-76.4-34.5000111.7M521D519-M521 PolarHBondContact O-N 3.07Å
520D36.5Very low53.7Low149 Ų14994.3 Ų94.380%0.79751%0.511SS*.  trans-73.247.9170.6-150.318.7000110.9P522D520-P522 VanDerWaalsContact O-CD 3.29Å; D520-P522 WeakPolarHBondContact O-CD 3.18Å
521M39.8Very low55.8Low159 Ų15988.3 Ų88.378%0.78348%0.483SS*.  trans-81.5110.5157.6-166.8171.9-78.600105.8D519 L523D519-M521 PolarHBondContact O-N 3.07Å; M521-L523 PolarHBondContact O-N 3.39Å
522P50.5Low58Low104 Ų10480 Ų8068%0.67544%0.444SS*.PPolyproline II helixtrans-53.4123.517620.9-31000107.5D520D520-P522 VanDerWaalsContact O-CD 3.29Å; D520-P522 WeakPolarHBondContact O-CD 3.18Å
523L56.3Low59.8Low42 Ų4279.1 Ų79.122%0.2244%0.437CS..PPolyproline II helixtrans-47.8133.4170.7-74160.2000107.2M521 A525 L548 T636 I639 K640M521-L523 PolarHBondContact O-N 3.39Å; L523-A525 PolarHBondContact O-N 3.49Å; L523-L548 HydrophobicContact CD1-CD2 3.95Å; L523-T636 HydrophobicContact CD1-CG2 3.95Å; L523-T636 HydrophobicContact CD2-CG2 4.28Å; L523-I639 HydrophobicContact CD2-CB 4.16Å; L523-I639 HydrophobicContact CD2-CG2 3.7Å; L523-K640 HydrophobicContact CD2-CG 4.07Å
524P63.3Low61.5Low50 Ų5076.7 Ų76.733%0.32542%0.423SS..PPolyproline II helixtrans-54.7136.4-178.220.8-31000109.1L526 N550 I639 W643P524-L526 HydrophobicContact CB-CD2 4.13Å; P524-L526 HydrophobicContact CB-CG 4.49Å; P524-L526 HydrophobicContact CG-CD2 4.09Å; P524-L526 HydrophobicContact CG-CG 4.33Å; P524-L526 WeakPolarHBondContact O-CG 3.4Å; P524-L526 PolarHBondContact O-N 3.45Å; P524-N550 PolarHBondContact O-OD1 2.8Å; P524-I639 HydrophobicContact CG-CG2 4.33Å; P524-W643 HydrophobicContact CG-CB 4.07Å; P524-W643 HydrophobicContact CG-CG 4.08Å
525A74.3Confident63.2Low77 Ų7777 Ų7764%0.63642%0.421SS*.  trans-71.594.9173.800000108.4L523 G549L523-A525 PolarHBondContact O-N 3.49Å; A525-G549 WeakPolarHBondContact CB-O 3.09Å
526L83.5Confident64.2Low4 Ų475.5 Ų75.52%0.02140%0.401CS..  trans-86.9149.2-177.3-58.5171.3000110.9P524 V528 N550 S551 D571 I639 W643P524-L526 HydrophobicContact CB-CD2 4.13Å; P524-L526 HydrophobicContact CB-CG 4.49Å; P524-L526 HydrophobicContact CG-CD2 4.09Å; P524-L526 HydrophobicContact CG-CG 4.33Å; P524-L526 WeakPolarHBondContact O-CG 3.4Å; P524-L526 PolarHBondContact O-N 3.45Å; L526-V528 HydrophobicContact CB-CG2 4.07Å; L526-N550 VanDerWaalsContact CB-OD1 3.3Å; L526-N550 WeakPolarHBondContact CB-OD1 3.48Å; L526-N550 PolarHBondContact N-OD1 2.94Å; L526-N550 CarbonylContact O-C 3.59Å; L526-N550 WeakPolarHBondContact O-CA 3.46Å; L526-N550 WeakPolarHBondContact O-CB 3.37Å; L526-S551 PolarHBondContact O-N 3.18Å; L526-D571 HydrophobicContact CB-CB 4.08Å; L526-D571 HydrophobicContact CD2-CB 3.64Å; L526-D571 HydrophobicContact CG-CB 4.4Å; L526-I639 HydrophobicContact CD1-CD1 4.4Å; L526-I639 HydrophobicContact CD1-CG1 4.14Å; L526-I639 HydrophobicContact CD1-CG2 3.95Å; L526-W643 HydrophobicContact CD1-CE3 4.17Å; L526-W643 HydrophobicContact CD1-CH2 4.33Å; L526-W643 HydrophobicContact CD1-CZ3 4.01Å; L526-W643 HydrophobicContact CD2-CD2 4.17Å; L526-W643 HydrophobicContact CD2-CE3 4.44Å; L526-W643 HydrophobicContact CD2-CH2 4.17Å; L526-W643 HydrophobicContact CD2-CZ2 3.83Å; L526-W643 HydrophobicContact CD2-CZ3 4.45Å
527N87.8Confident65.6Low71 Ų7170.5 Ų70.538%0.3838%0.381SS..EExtended strand (participates in β ladder)trans-90.4109.9163.9-65.1-22.2000109.5S551 E569 Y570 D571 L572N527-S551 WeakPolarHBondContact CA-OG 3.39Å; N527-S551 PolarHBondContact OD1-OG 2.98Å; N527-E569 PolarHBondContact ND2-O 3.37Å; N527-Y570 HydrophobicContact CB-CD1 4.47Å; N527-Y570 CarbonylContact O-C 3.57Å; N527-Y570 WeakPolarHBondContact O-CA 3.48Å; N527-D571 PolarHBondContact N-OD2 2.93Å; N527-D571 PolarHBondContact O-N 3.24Å; N527-L572 PolarHBondContact O-N 3.44Å
528V90.9Very high67.5Low1 Ų164.8 Ų64.81%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-106.5128.2-172.6-173.30000110.6L526 L545 N550 S551 V552 D553 L572 L574L526-V528 HydrophobicContact CB-CG2 4.07Å; V528-L545 HydrophobicContact CG1-CD1 4.29Å; V528-L545 HydrophobicContact CG1-CD2 4.33Å; V528-L545 HydrophobicContact CG2-CD2 4.22Å; V528-N550 HydrophobicContact CG2-CB 4.01Å; V528-S551 PolarHBondContact N-O 3.08Å; V528-V552 WeakPolarHBondContact O-CA 3.35Å; V528-D553 PolarHBondContact O-N 3.37Å; V528-L572 WeakPolarHBondContact CA-O 3.35Å; V528-L572 HydrophobicContact CG1-CB 4.39Å; V528-L572 HydrophobicContact CG1-CD2 4.08Å; V528-L572 HydrophobicContact CG1-CG 4.23Å; V528-L572 HydrophobicContact CG2-CB 4.22Å; V528-L572 HydrophobicContact CG2-CD2 4.12Å; V528-L574 HydrophobicContact CG1-CD1 4.07Å; V528-L574 HydrophobicContact CG1-CG 3.97Å
529L93.8Very high68.8Low2 Ų260.1 Ų60.11%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-94.2110.8167179.964.1000109.3V531 D553 A555 M564 F565 Y570 L572 V573 L574L529-V531 HydrophobicContact CG-CG2 4.24Å; L529-D553 HydrophobicContact CD1-CB 4.15Å; L529-A555 HydrophobicContact CD1-CB 4.4Å; L529-M564 HydrophobicContact CD1-CE 4.19Å; L529-F565 HydrophobicContact CD2-CB 4.2Å; L529-F565 HydrophobicContact CD2-CD2 4.17Å; L529-Y570 HydrophobicContact CB-CD1 3.8Å; L529-Y570 HydrophobicContact CB-CD2 4.07Å; L529-Y570 HydrophobicContact CB-CE1 4.04Å; L529-Y570 HydrophobicContact CB-CE2 4.28Å; L529-Y570 HydrophobicContact CB-CG 3.82Å; L529-Y570 HydrophobicContact CD1-CE1 4.41Å; L529-Y570 HydrophobicContact CD1-CE2 4.38Å; L529-Y570 HydrophobicContact CD2-CD2 4.17Å; L529-Y570 HydrophobicContact CD2-CE2 4.09Å; L529-Y570 HydrophobicContact CG-CE2 4.49Å; L529-L572 PolarHBondContact N-O 2.74Å; L529-V573 HydrophobicContact CB-CG1 4.24Å; L529-V573 HydrophobicContact CB-CG2 4.23Å; L529-V573 HydrophobicContact CD2-CG1 4.19Å; L529-V573 HydrophobicContact CG-CG1 4.34Å; L529-V573 CarbonylContact O-C 3.5Å; L529-V573 WeakPolarHBondContact O-CA 3.5Å; L529-L574 PolarHBondContact O-N 2.82Å
530L90.7Very high69.9Low0 Ų056.2 Ų56.20%031%0.312CS..EExtended strand (participates in β ladder)trans-95.6122.9175.3176.366.1000110.3E532 A541 V552 D553 V554 A555 L574 L606L530-E532 HydrophobicContact CG-CB 4.38Å; L530-A541 HydrophobicContact CD1-CB 4.24Å; L530-A541 HydrophobicContact CD2-CB 3.58Å; L530-V552 HydrophobicContact CB-CG1 3.8Å; L530-V552 HydrophobicContact CD2-CG1 4.4Å; L530-D553 PolarHBondContact N-O 2.81Å; L530-V554 CarbonylContact O-C 3.55Å; L530-V554 WeakPolarHBondContact O-CA 3.28Å; L530-A555 PolarHBondContact O-N 2.78Å; L530-L574 HydrophobicContact CD1-CB 3.89Å; L530-L574 HydrophobicContact CD1-CD1 4.28Å; L530-L606 HydrophobicContact CD1-CD1 3.66Å
531V92.6Very high71.5Confident0 Ų049.3 Ų49.30%028%0.276CS..EExtended strand (participates in β ladder)trans-113.1109.3177.4-167.70000109.9L529 A555 A561 L574 L575 D576 L579 I587L529-V531 HydrophobicContact CG-CG2 4.24Å; V531-A555 VanDerWaalsContact CA-O 3.29Å; V531-A555 WeakPolarHBondContact CA-O 3.42Å; V531-A555 HydrophobicContact CG1-CB 4.4Å; V531-A555 WeakPolarHBondContact CG1-O 3.46Å; V531-A555 HydrophobicContact CG2-CB 4.29Å; V531-A561 HydrophobicContact CB-CB 4.34Å; V531-A561 HydrophobicContact CG1-CB 3.75Å; V531-A561 HydrophobicContact CG2-CB 3.57Å; V531-L574 PolarHBondContact N-O 3.23Å; V531-L575 HydrophobicContact CB-CD2 3.98Å; V531-L575 HydrophobicContact CG2-CD2 3.59Å; V531-D576 VanDerWaalsContact O-CB 3.24Å; V531-D576 WeakPolarHBondContact O-CB 3.48Å; V531-D576 PolarHBondContact O-N 2.85Å; V531-L579 HydrophobicContact CG1-CD1 3.48Å; V531-L579 VanDerWaalsContact CG1-CD1 3.48Å; V531-L579 HydrophobicContact CG1-CD2 4.02Å; V531-L579 HydrophobicContact CG1-CG 4.4Å; V531-I587 HydrophobicContact CG1-CD1 4.07Å
532E83.1Confident72.9Confident2 Ų247.1 Ų47.11%0.00926%0.259CS..  trans-157131.2-171.5178.373-140.400110L530 N537 V538 A555 M556 K628L530-E532 HydrophobicContact CG-CB 4.38Å; E532-N537 HydrophobicContact CG-CB 3.46Å; E532-N537 VanDerWaalsContact CG-CB 3.46Å; E532-N537 VanDerWaalsContact OE1-CB 3.31Å; E532-N537 WeakPolarHBondContact OE1-CB 3.46Å; E532-N537 PolarHBondContact OE1-ND2 3.01Å; E532-V538 HydrophobicContact CB-CG2 3.72Å; E532-V538 HydrophobicContact CG-CG2 3.82Å; E532-A555 PolarHBondContact N-O 3.2Å; E532-A555 VanDerWaalsContact N-O 3.12Å; E532-M556 WeakPolarHBondContact O-CA 3.13Å; E532-K628 IonicContact OE1-NZ 2.7Å; E532-K628 PolarHBondContact OE1-NZ 3.07Å; E532-K628 WeakPolarHBondContact OE2-CE 3.47Å; E532-K628 IonicContact OE2-NZ 2.74Å; E532-K628 PolarHBondContact OE2-NZ 3.43Å
533D79.2Confident73.5Confident57 Ų5744.8 Ų44.831%0.30525%0.245SC..SBendtrans-87-26.2-176.871.9-29.4000113.6M556 L579 P580D533-M556 VanDerWaalsContact O-CE 3.28Å; D533-M556 WeakPolarHBondContact O-CE 3.12Å; D533-L579 HydrophobicContact CB-CD2 4.12Å; D533-P580 VanDerWaalsContact CB-CD 3.47Å; D533-P580 HydrophobicContact CB-CG 4.15Å
534I69.3Low73.9Confident71 Ų7143.6 Ų43.636%0.36424%0.24SC..  trans-86.9118.1179.5-63169.7000110.7L536 N537 V538I534-L536 VanDerWaalsContact C-N 3.29Å; I534-L536 HydrophobicContact CG2-CB 4.25Å; I534-L536 PolarHBondContact O-N 3.31Å; I534-N537 HydrophobicContact CB-CB 4.23Å; I534-N537 HydrophobicContact CG2-CB 4.41Å; I534-N537 WeakPolarHBondContact O-CB 3.3Å; I534-N537 PolarHBondContact O-N 2.89Å; I534-N537 VanDerWaalsContact O-N 3.1Å; I534-V538 PolarHBondContact O-N 2.92Å
535E66Low74.5Confident138 Ų13841.2 Ų41.265%0.64522%0.224SC*.Hα-helixtrans-59.1-33.8-177.2-167.2169.5-163.800113.5V538 I539 M556E535-V538 WeakPolarHBondContact O-CB 3.13Å; E535-V538 PolarHBondContact O-N 2.76Å; E535-I539 HydrophobicContact CG-CD1 4.31Å; E535-I539 VanDerWaalsContact O-CG1 3.26Å; E535-I539 WeakPolarHBondContact O-CG1 3.35Å; E535-I539 PolarHBondContact O-N 2.97Å; E535-M556 HydrophobicContact CB-CE 4.32Å
536L53Low74.6Confident48 Ų4841.5 Ų41.525%0.25121%0.212SC..Hα-helixtrans-67-45.1174.7-178.963.7000112P384 I534 V538 I539 V540P384-L536 HydrophobicContact CG-CD1 4.13Å; I534-L536 VanDerWaalsContact C-N 3.29Å; I534-L536 HydrophobicContact CG2-CB 4.25Å; I534-L536 PolarHBondContact O-N 3.31Å; L536-V538 PolarHBondContact O-N 2.85Å; L536-I539 PolarHBondContact O-N 3.41Å; L536-I539 VanDerWaalsContact O-N 3.11Å; L536-V540 HydrophobicContact CD1-CG2 4.2Å; L536-V540 HydrophobicContact CG-CG2 4.41Å; L536-V540 WeakPolarHBondContact O-CG2 3.38Å; L536-V540 PolarHBondContact O-N 3.01Å
537N63.5Low73.7Confident51 Ų5149.7 Ų49.727%0.27325%0.247SC..Hα-helixtrans-60.7-39.1176.8-71.5-12.6000110.3E532 I534 A541E532-N537 HydrophobicContact CG-CB 3.46Å; E532-N537 VanDerWaalsContact CG-CB 3.46Å; E532-N537 VanDerWaalsContact OE1-CB 3.31Å; E532-N537 WeakPolarHBondContact OE1-CB 3.46Å; E532-N537 PolarHBondContact OE1-ND2 3.01Å; I534-N537 HydrophobicContact CB-CB 4.23Å; I534-N537 HydrophobicContact CG2-CB 4.41Å; I534-N537 WeakPolarHBondContact O-CB 3.3Å; I534-N537 PolarHBondContact O-N 2.89Å; I534-N537 VanDerWaalsContact O-N 3.1Å; N537-A541 WeakPolarHBondContact O-CB 3.44Å; N537-A541 PolarHBondContact O-N 2.81Å
538V70.3Confident72.8Confident16 Ų1648 Ų4810%0.09724%0.238CC..Hα-helixtrans-58.1-52.4171.1169.90000111.1E532 I534 E535 L536 V540 A541 R542 V554E532-V538 HydrophobicContact CB-CG2 3.72Å; E532-V538 HydrophobicContact CG-CG2 3.82Å; I534-V538 PolarHBondContact O-N 2.92Å; E535-V538 WeakPolarHBondContact O-CB 3.13Å; E535-V538 PolarHBondContact O-N 2.76Å; L536-V538 PolarHBondContact O-N 2.85Å; V538-V540 VanDerWaalsContact C-N 3.35Å; V538-V540 PolarHBondContact O-N 2.84Å; V538-A541 PolarHBondContact O-N 2.97Å; V538-R542 WeakPolarHBondContact O-CA 3.48Å; V538-R542 WeakPolarHBondContact O-CB 3.25Å; V538-R542 PolarHBondContact O-N 2.86Å; V538-V554 HydrophobicContact CB-CG1 4.32Å; V538-V554 HydrophobicContact CG1-CB 4.25Å; V538-V554 HydrophobicContact CG1-CG1 3.6Å; V538-V554 HydrophobicContact CG1-CG2 3.7Å; V538-V554 HydrophobicContact CG2-CG1 3.67Å
539I63.4Low71.9Confident87 Ų8750.3 Ų50.345%0.44626%0.262SS..Hα-helixtrans-60.3-46.1-177.4-70.6163.4000110.8E535 L536 S543E535-I539 HydrophobicContact CG-CD1 4.31Å; E535-I539 VanDerWaalsContact O-CG1 3.26Å; E535-I539 WeakPolarHBondContact O-CG1 3.35Å; E535-I539 PolarHBondContact O-N 2.97Å; L536-I539 PolarHBondContact O-N 3.41Å; L536-I539 VanDerWaalsContact O-N 3.11Å; I539-S543 VanDerWaalsContact O-CB 3.24Å; I539-S543 WeakPolarHBondContact O-CB 3.38Å; I539-S543 PolarHBondContact O-N 3.41Å
540V60.2Low71.3Confident52 Ų5250.5 Ų50.532%0.31526%0.263SS..Hα-helixtrans-64.9-53.7179.51740000110.3L536 V538 R542 S543 V544L536-V540 HydrophobicContact CD1-CG2 4.2Å; L536-V540 HydrophobicContact CG-CG2 4.41Å; L536-V540 WeakPolarHBondContact O-CG2 3.38Å; L536-V540 PolarHBondContact O-N 3.01Å; V538-V540 VanDerWaalsContact C-N 3.35Å; V538-V540 PolarHBondContact O-N 2.84Å; V540-R542 PolarHBondContact O-N 2.91Å; V540-S543 PolarHBondContact O-N 3.13Å; V540-V544 VanDerWaalsContact O-CG2 3.29Å; V540-V544 WeakPolarHBondContact O-CG2 3.29Å; V540-V544 PolarHBondContact O-N 3.04Å
541A69.1Low70.9Confident4 Ų453.2 Ų53.23%0.03328%0.282CS..Hα-helixtrans-60.5-45.8-178.700000111.8L530 N537 V538 V544 L545 L630L530-A541 HydrophobicContact CD1-CB 4.24Å; L530-A541 HydrophobicContact CD2-CB 3.58Å; N537-A541 WeakPolarHBondContact O-CB 3.44Å; N537-A541 PolarHBondContact O-N 2.81Å; V538-A541 PolarHBondContact O-N 2.97Å; A541-V544 PolarHBondContact O-N 2.94Å; A541-L545 WeakPolarHBondContact O-CB 3.5Å; A541-L545 WeakPolarHBondContact O-CD1 3.11Å; A541-L545 WeakPolarHBondContact O-CG 3.49Å; A541-L545 PolarHBondContact O-N 3.1Å; A541-L630 HydrophobicContact CB-CD1 3.49Å; A541-L630 VanDerWaalsContact CB-CD1 3.49Å
542R71.2Confident70.6Confident113 Ų11353.8 Ų53.843%0.42629%0.286SS..Hα-helixtrans-59.7-46.8175.8-178.1175.2-177.7-153-5.3111.3V538 V540 V544 L545 E546 V552V538-R542 WeakPolarHBondContact O-CA 3.48Å; V538-R542 WeakPolarHBondContact O-CB 3.25Å; V538-R542 PolarHBondContact O-N 2.86Å; V540-R542 PolarHBondContact O-N 2.91Å; R542-V544 VanDerWaalsContact C-N 3.28Å; R542-V544 PolarHBondContact O-N 2.63Å; R542-L545 PolarHBondContact O-N 2.95Å; R542-E546 HydrophobicContact CG-CG 4.06Å; R542-E546 IonicContact CZ-OE1 3Å; R542-E546 IonicContact NE-OE1 3.09Å; R542-E546 PolarHBondContact NE-OE1 3.35Å; R542-E546 IonicContact NE-OE2 2.69Å; R542-E546 IonicContact NH2-OE1 3.79Å; R542-E546 PolarHBondContact NH2-OE1 2.84Å; R542-E546 VanDerWaalsContact O-CB 3.3Å; R542-E546 WeakPolarHBondContact O-CB 3.29Å; R542-E546 WeakPolarHBondContact O-CG 3.44Å; R542-E546 PolarHBondContact O-N 2.85Å; R542-V552 HydrophobicContact CG-CB 4.2Å; R542-V552 HydrophobicContact CG-CG1 4.43Å
543S61.8Low71Confident55 Ų5557.1 Ų57.139%0.38530%0.304SS..Hα-helixtrans-61.3-37.1177.51800000112.4I539 V540 K547I539-S543 VanDerWaalsContact O-CB 3.24Å; I539-S543 WeakPolarHBondContact O-CB 3.38Å; I539-S543 PolarHBondContact O-N 3.41Å; V540-S543 PolarHBondContact O-N 3.13Å; S543-K547 VanDerWaalsContact O-CB 3.29Å; S543-K547 WeakPolarHBondContact O-CB 3.46Å; S543-K547 VanDerWaalsContact O-CG 3.28Å; S543-K547 WeakPolarHBondContact O-CG 3.48Å; S543-K547 PolarHBondContact O-N 3.48Å
544V66.1Low71.5Confident17 Ų1756.5 Ų56.510%0.10330%0.302CS..Hα-helixtrans-69.6-47.2178170.50000110.6V540 A541 R542 K547 L548 V632 L635V540-V544 VanDerWaalsContact O-CG2 3.29Å; V540-V544 WeakPolarHBondContact O-CG2 3.29Å; V540-V544 PolarHBondContact O-N 3.04Å; A541-V544 PolarHBondContact O-N 2.94Å; R542-V544 VanDerWaalsContact C-N 3.28Å; R542-V544 PolarHBondContact O-N 2.63Å; V544-K547 PolarHBondContact O-N 3.37Å; V544-L548 PolarHBondContact O-N 2.92Å; V544-V632 HydrophobicContact CG1-CG2 3.91Å; V544-L635 HydrophobicContact CG1-CD2 3.93Å
545L74.4Confident72.4Confident0 Ų053.1 Ų53.10%029%0.285CS..Hα-helixtrans-66.8-44.9-179.4-76.2158.4000112.9V528 A541 R542 K547 L548 N550 V552 L574 L635V528-L545 HydrophobicContact CG1-CD1 4.29Å; V528-L545 HydrophobicContact CG1-CD2 4.33Å; V528-L545 HydrophobicContact CG2-CD2 4.22Å; A541-L545 WeakPolarHBondContact O-CB 3.5Å; A541-L545 WeakPolarHBondContact O-CD1 3.11Å; A541-L545 WeakPolarHBondContact O-CG 3.49Å; A541-L545 PolarHBondContact O-N 3.1Å; R542-L545 PolarHBondContact O-N 2.95Å; L545-K547 VanDerWaalsContact C-N 3.32Å; L545-K547 PolarHBondContact O-N 3.36Å; L545-L548 WeakPolarHBondContact O-CB 3.16Å; L545-L548 PolarHBondContact O-N 2.85Å; L545-L548 VanDerWaalsContact O-N 3.13Å; L545-N550 WeakPolarHBondContact O-CB 3.37Å; L545-N550 PolarHBondContact O-N 2.81Å; L545-N550 PolarHBondContact O-ND2 2.78Å; L545-N550 VanDerWaalsContact O-ND2 3.14Å; L545-V552 HydrophobicContact CB-CG2 3.41Å; L545-V552 VanDerWaalsContact CB-CG2 3.41Å; L545-V552 HydrophobicContact CD1-CG1 4.27Å; L545-V552 HydrophobicContact CD1-CG2 3.96Å; L545-V552 HydrophobicContact CG-CG2 4.27Å; L545-L574 HydrophobicContact CD1-CD1 3.76Å; L545-L574 HydrophobicContact CD2-CD1 4.2Å; L545-L635 HydrophobicContact CD2-CD1 4.11Å; L545-L635 HydrophobicContact CD2-CD2 3.44Å; L545-L635 VanDerWaalsContact CD2-CD2 3.44Å; L545-L635 HydrophobicContact CD2-CG 4.22Å; L545-L635 HydrophobicContact CG-CD2 3.86Å
546E76.3Confident73.3Confident83 Ų8350.7 Ų50.739%0.38827%0.274SS..Hα-helixtrans-66-34.9177.4-72.6-178.7162.300111.5R542 L548 G549 N550 V552R542-E546 HydrophobicContact CG-CG 4.06Å; R542-E546 IonicContact CZ-OE1 3Å; R542-E546 IonicContact NE-OE1 3.09Å; R542-E546 PolarHBondContact NE-OE1 3.35Å; R542-E546 IonicContact NE-OE2 2.69Å; R542-E546 IonicContact NH2-OE1 3.79Å; R542-E546 PolarHBondContact NH2-OE1 2.84Å; R542-E546 VanDerWaalsContact O-CB 3.3Å; R542-E546 WeakPolarHBondContact O-CB 3.29Å; R542-E546 WeakPolarHBondContact O-CG 3.44Å; R542-E546 PolarHBondContact O-N 2.85Å; E546-L548 PolarHBondContact O-N 2.97Å; E546-G549 PolarHBondContact O-N 2.94Å; E546-N550 WeakPolarHBondContact CA-O 3.36Å; E546-V552 HydrophobicContact CG-CG2 4.11Å
547K64.6Low74.7Confident175 Ų17550.9 Ų50.976%0.76128%0.277SS*.Hα-helixtrans-62.4-31.1172.1-89.6-175.9174.9-174.30112.9S543 V544 L545 G549S543-K547 VanDerWaalsContact O-CB 3.29Å; S543-K547 WeakPolarHBondContact O-CB 3.46Å; S543-K547 VanDerWaalsContact O-CG 3.28Å; S543-K547 WeakPolarHBondContact O-CG 3.48Å; S543-K547 PolarHBondContact O-N 3.48Å; V544-K547 PolarHBondContact O-N 3.37Å; L545-K547 VanDerWaalsContact C-N 3.32Å; L545-K547 PolarHBondContact O-N 3.36Å; K547-G549 PolarHBondContact O-N 3.49Å
548L68.5Low75.8Confident36 Ų3648.4 Ų48.419%0.18826%0.264CS..THydrogen-bonded Turntrans-816.4174.9-70.6170.8000113.2L523 V544 L545 E546 N550 V632 L635L523-L548 HydrophobicContact CD1-CD2 3.95Å; V544-L548 PolarHBondContact O-N 2.92Å; L545-L548 WeakPolarHBondContact O-CB 3.16Å; L545-L548 PolarHBondContact O-N 2.85Å; L545-L548 VanDerWaalsContact O-N 3.13Å; E546-L548 PolarHBondContact O-N 2.97Å; L548-N550 WeakPolarHBondContact CB-ND2 3.13Å; L548-V632 HydrophobicContact CD1-CG1 4.45Å; L548-V632 HydrophobicContact CD2-CG1 4.01Å; L548-L635 HydrophobicContact CD1-CB 4.47Å; L548-L635 HydrophobicContact CD1-CD2 3.51Å; L548-L635 HydrophobicContact CD1-CG 4.25Å
549G72.7Confident76.6Confident49 Ų4954.1 Ų54.151%0.50529%0.288SS..THydrogen-bonded Turntrans86.38.217700000115A525 E546 K547A525-G549 WeakPolarHBondContact CB-O 3.09Å; E546-G549 PolarHBondContact O-N 2.94Å; K547-G549 PolarHBondContact O-N 3.49Å
550N81Confident77.8Confident7 Ų751.3 Ų51.34%0.03728%0.277CS..  trans-88.5150-179.6-55.1-74.4000111.4P524 L526 V528 L545 E546 L548P524-N550 PolarHBondContact O-OD1 2.8Å; L526-N550 VanDerWaalsContact CB-OD1 3.3Å; L526-N550 WeakPolarHBondContact CB-OD1 3.48Å; L526-N550 PolarHBondContact N-OD1 2.94Å; L526-N550 CarbonylContact O-C 3.59Å; L526-N550 WeakPolarHBondContact O-CA 3.46Å; L526-N550 WeakPolarHBondContact O-CB 3.37Å; V528-N550 HydrophobicContact CG2-CB 4.01Å; L545-N550 WeakPolarHBondContact O-CB 3.37Å; L545-N550 PolarHBondContact O-N 2.81Å; L545-N550 PolarHBondContact O-ND2 2.78Å; L545-N550 VanDerWaalsContact O-ND2 3.14Å; E546-N550 WeakPolarHBondContact CA-O 3.36Å; L548-N550 WeakPolarHBondContact CB-ND2 3.13Å
551S83.2Confident79.2Confident56 Ų5648.9 Ų48.939%0.39226%0.263SS..EExtended strand (participates in β ladder)trans-89.4141167.183.60000109.4L526 N527 V528L526-S551 PolarHBondContact O-N 3.18Å; N527-S551 WeakPolarHBondContact CA-OG 3.39Å; N527-S551 PolarHBondContact OD1-OG 2.98Å; V528-S551 PolarHBondContact N-O 3.08Å
552V85.9Confident80.2Confident13 Ų1349.8 Ų49.88%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-129.7115.5-174.5-171.80000110.9V528 L530 R542 L545 E546 V554V528-V552 WeakPolarHBondContact O-CA 3.35Å; L530-V552 HydrophobicContact CB-CG1 3.8Å; L530-V552 HydrophobicContact CD2-CG1 4.4Å; R542-V552 HydrophobicContact CG-CB 4.2Å; R542-V552 HydrophobicContact CG-CG1 4.43Å; L545-V552 HydrophobicContact CB-CG2 3.41Å; L545-V552 VanDerWaalsContact CB-CG2 3.41Å; L545-V552 HydrophobicContact CD1-CG1 4.27Å; L545-V552 HydrophobicContact CD1-CG2 3.96Å; L545-V552 HydrophobicContact CG-CG2 4.27Å; E546-V552 HydrophobicContact CG-CG2 4.11Å; V552-V554 HydrophobicContact CG1-CG2 4.32Å
553D91Very high81.1Confident72 Ų7252.1 Ų52.139%0.38528%0.283SS..EExtended strand (participates in β ladder)trans-93.9142.7164.8-80.6-16.5000109.8V528 L529 L530 M564 Y570V528-D553 PolarHBondContact O-N 3.37Å; L529-D553 HydrophobicContact CD1-CB 4.15Å; L530-D553 PolarHBondContact N-O 2.81Å; D553-M564 HydrophobicContact CB-CE 3.93Å; D553-Y570 HydrophobicContact CB-CE1 3.81Å; D553-Y570 VanDerWaalsContact OD2-CE1 3.3Å; D553-Y570 WeakPolarHBondContact OD2-CE1 3.28Å; D553-Y570 PolarHBondContact OD2-OH 3.36Å
554V89.6Confident82.3Confident43 Ų4352.4 Ų52.426%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-117.9128.9-174.3-177.40000110.8L530 V538 V552 M556L530-V554 CarbonylContact O-C 3.55Å; L530-V554 WeakPolarHBondContact O-CA 3.28Å; V538-V554 HydrophobicContact CB-CG1 4.32Å; V538-V554 HydrophobicContact CG1-CB 4.25Å; V538-V554 HydrophobicContact CG1-CG1 3.6Å; V538-V554 HydrophobicContact CG1-CG2 3.7Å; V538-V554 HydrophobicContact CG2-CG1 3.67Å; V552-V554 HydrophobicContact CG1-CG2 4.32Å; V554-M556 HydrophobicContact CG1-CG 4.31Å
555A89.4Confident83.4Confident1 Ų151.9 Ų51.91%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-116.5119.3168.600000110.8L529 L530 V531 E532 A560 A561 M564L529-A555 HydrophobicContact CD1-CB 4.4Å; L530-A555 PolarHBondContact O-N 2.78Å; V531-A555 VanDerWaalsContact CA-O 3.29Å; V531-A555 WeakPolarHBondContact CA-O 3.42Å; V531-A555 HydrophobicContact CG1-CB 4.4Å; V531-A555 WeakPolarHBondContact CG1-O 3.46Å; V531-A555 HydrophobicContact CG2-CB 4.29Å; E532-A555 PolarHBondContact N-O 3.2Å; E532-A555 VanDerWaalsContact N-O 3.12Å; A555-A560 HydrophobicContact CB-CB 4.25Å; A555-A561 HydrophobicContact CB-CB 3.76Å; A555-M564 HydrophobicContact CB-SD 3.95Å
556M83.7Confident83.9Confident86 Ų8657.1 Ų57.142%0.42430%0.298SS..SBendtrans-87.3-2.3-177.7-60.3-172.57700114.8E532 D533 E535 V554E532-M556 WeakPolarHBondContact O-CA 3.13Å; D533-M556 VanDerWaalsContact O-CE 3.28Å; D533-M556 WeakPolarHBondContact O-CE 3.12Å; E535-M556 HydrophobicContact CB-CE 4.32Å; V554-M556 HydrophobicContact CG1-CG 4.31Å
557T84Confident84.1Confident52 Ų5255.8 Ų55.832%0.31930%0.296SS..SBendtrans-143.2153.2177.260.40000109.3K559 A560 A561 P580T557-K559 VanDerWaalsContact C-N 3.3Å; T557-K559 PolarHBondContact O-N 2.81Å; T557-A560 PolarHBondContact O-N 3.12Å; T557-A560 VanDerWaalsContact OG1-CB 3.26Å; T557-A560 WeakPolarHBondContact OG1-CB 3.23Å; T557-A560 PolarHBondContact OG1-N 2.88Å; T557-A561 PolarHBondContact O-N 2.9Å; T557-P580 HydrophobicContact CG2-CG 4.4Å
558G85.5Confident84.8Confident0 Ų051 Ų510%030%0.297CS..Hα-helixtrans-63.8-33.8178.400000113.2A561 L562 D581G558-A561 WeakPolarHBondContact O-CB 3.48Å; G558-A561 PolarHBondContact O-N 2.82Å; G558-L562 WeakPolarHBondContact O-CG 3.3Å; G558-L562 PolarHBondContact O-N 2.9Å; G558-D581 PolarHBondContact N-OD1 3.42Å; G558-D581 PolarHBondContact N-OD2 2.87Å
559K88.2Confident85.6Confident135 Ų13552.9 Ų52.959%0.58731%0.305SS*.Hα-helixtrans-61.6-47.5170.8-75.5177.1-172.5175.70112.3T557 A561 L562 E563 D581 M582T557-K559 VanDerWaalsContact C-N 3.3Å; T557-K559 PolarHBondContact O-N 2.81Å; K559-A561 VanDerWaalsContact C-N 3.27Å; K559-A561 PolarHBondContact O-N 2.94Å; K559-L562 PolarHBondContact O-N 2.9Å; K559-E563 WeakPolarHBondContact O-CG 3.46Å; K559-E563 PolarHBondContact O-N 3.32Å; K559-D581 WeakPolarHBondContact CG-OD2 3.31Å; K559-D581 PolarHBondContact N-OD2 3.44Å; K559-M582 HydrophobicContact CG-CE 3.82Å
560A88.3Confident86.4Confident28 Ų2851.1 Ų51.123%0.23128%0.283CS..Hα-helixtrans-61.2-40176.500000110.9A555 T557 L562 E563 M564A555-A560 HydrophobicContact CB-CB 4.25Å; T557-A560 PolarHBondContact O-N 3.12Å; T557-A560 VanDerWaalsContact OG1-CB 3.26Å; T557-A560 WeakPolarHBondContact OG1-CB 3.23Å; T557-A560 PolarHBondContact OG1-N 2.88Å; A560-L562 PolarHBondContact O-N 2.92Å; A560-E563 PolarHBondContact O-N 2.93Å; A560-M564 WeakPolarHBondContact O-CB 3.44Å; A560-M564 VanDerWaalsContact O-CG 3.23Å; A560-M564 WeakPolarHBondContact O-CG 3.3Å; A560-M564 PolarHBondContact O-N 3.41Å
561A89.8Confident86.7Confident2 Ų253.7 Ų53.72%0.01730%0.297CS..Hα-helixtrans-60.5-45.7176.500000112.1V531 A555 T557 G558 K559 E563 M564 F565 I587V531-A561 HydrophobicContact CB-CB 4.34Å; V531-A561 HydrophobicContact CG1-CB 3.75Å; V531-A561 HydrophobicContact CG2-CB 3.57Å; A555-A561 HydrophobicContact CB-CB 3.76Å; T557-A561 PolarHBondContact O-N 2.9Å; G558-A561 WeakPolarHBondContact O-CB 3.48Å; G558-A561 PolarHBondContact O-N 2.82Å; K559-A561 VanDerWaalsContact C-N 3.27Å; K559-A561 PolarHBondContact O-N 2.94Å; A561-E563 VanDerWaalsContact C-N 3.32Å; A561-E563 PolarHBondContact O-N 2.96Å; A561-M564 PolarHBondContact O-N 3.24Å; A561-F565 VanDerWaalsContact O-CB 3.27Å; A561-F565 WeakPolarHBondContact O-CB 3.48Å; A561-F565 PolarHBondContact O-N 2.98Å; A561-I587 HydrophobicContact CB-CD1 4.3Å
562L90.1Very high87Confident22 Ų2251 Ų5112%0.11528%0.278CS..Hα-helixtrans-69.9-24.9177.9-69.6172.3000113.9G558 K559 A560 M582 I587 E590 L591G558-L562 WeakPolarHBondContact O-CG 3.3Å; G558-L562 PolarHBondContact O-N 2.9Å; K559-L562 PolarHBondContact O-N 2.9Å; A560-L562 PolarHBondContact O-N 2.92Å; L562-M582 HydrophobicContact CD1-CE 4.16Å; L562-M582 HydrophobicContact CD1-SD 3.9Å; L562-I587 HydrophobicContact CD2-CG2 4.02Å; L562-I587 HydrophobicContact CG-CG2 4.41Å; L562-E590 HydrophobicContact CD1-CB 4.36Å; L562-E590 HydrophobicContact CD1-CG 3.99Å; L562-E590 HydrophobicContact CD2-CB 4.06Å; L562-E590 HydrophobicContact CD2-CG 3.94Å; L562-L591 HydrophobicContact CD2-CD2 3.77Å; L562-L591 HydrophobicContact CD2-CG 3.93Å
563E88.3Confident87.3Confident163 Ų16350.4 Ų50.476%0.76227%0.274SS*.Hα-helixtrans-82.1-35.5174.6-75.3179.2-17800112.3K559 A560 A561K559-E563 WeakPolarHBondContact O-CG 3.46Å; K559-E563 PolarHBondContact O-N 3.32Å; A560-E563 PolarHBondContact O-N 2.93Å; A561-E563 VanDerWaalsContact C-N 3.32Å; A561-E563 PolarHBondContact O-N 2.96Å
564M87.2Confident87.3Confident61 Ų6147 Ų4730%0.326%0.256SS..Hα-helixtrans-75.9-37.1177.8-72.4176.766.700111.9L529 D553 A555 A560 A561 K566L529-M564 HydrophobicContact CD1-CE 4.19Å; D553-M564 HydrophobicContact CB-CE 3.93Å; A555-M564 HydrophobicContact CB-SD 3.95Å; A560-M564 WeakPolarHBondContact O-CB 3.44Å; A560-M564 VanDerWaalsContact O-CG 3.23Å; A560-M564 WeakPolarHBondContact O-CG 3.3Å; A560-M564 PolarHBondContact O-N 3.41Å; A561-M564 PolarHBondContact O-N 3.24Å; M564-K566 PolarHBondContact O-N 3.27Å
565F89.6Confident87.4Confident6 Ų644.9 Ų44.93%0.02624%0.244CC..  trans-62.2120.2-178-175.5-89.4000112.1L529 A561 P567 Y570 V573 L591 Y595 L600 P601L529-F565 HydrophobicContact CD2-CB 4.2Å; L529-F565 HydrophobicContact CD2-CD2 4.17Å; A561-F565 VanDerWaalsContact O-CB 3.27Å; A561-F565 WeakPolarHBondContact O-CB 3.48Å; A561-F565 PolarHBondContact O-N 2.98Å; F565-P567 HydrophobicContact CE1-CG 4.45Å; F565-Y570 HydrophobicContact CD2-CD2 4.1Å; F565-V573 HydrophobicContact CD2-CG2 4.08Å; F565-V573 HydrophobicContact CE2-CG2 3.87Å; F565-L591 HydrophobicContact CB-CD2 4.12Å; F565-L591 HydrophobicContact CD1-CD2 3.36Å; F565-L591 HydrophobicContact CD2-CD1 4.24Å; F565-L591 HydrophobicContact CD2-CD2 4.43Å; F565-L591 HydrophobicContact CE1-CD2 3.86Å; F565-L591 HydrophobicContact CE2-CD1 4.46Å; F565-L591 HydrophobicContact CG-CD1 4.27Å; F565-L591 HydrophobicContact CG-CD2 3.7Å; F565-Y595 HydrophobicContact CD1-CD2 4.28Å; F565-Y595 AromaticContact CD1-CE2 3.84Å; F565-Y595 HydrophobicContact CD1-CE2 3.84Å; F565-Y595 AromaticContact CE1-CD2 3.84Å; F565-Y595 HydrophobicContact CE1-CD2 3.84Å; F565-Y595 AromaticContact CE1-CE2 3.83Å; F565-Y595 HydrophobicContact CE1-CE2 3.83Å; F565-L600 HydrophobicContact CE1-CD2 3.8Å; F565-L600 HydrophobicContact CZ-CD2 3.6Å; F565-P601 HydrophobicContact CE2-CG 3.78Å; F565-P601 HydrophobicContact CZ-CG 4.19Å
566K84.9Confident87.3Confident110 Ų11045.4 Ų45.448%0.47825%0.246SC..  trans-126.2138.6166.3-53.3-167.5-147.384.50109.9M564 G568 E569M564-K566 PolarHBondContact O-N 3.27Å; K566-G568 PolarHBondContact O-N 3.28Å; K566-E569 HydrophobicContact CB-CB 4.27Å; K566-E569 WeakPolarHBondContact CB-OE2 3.3Å; K566-E569 WeakPolarHBondContact CD-OE2 3.41Å; K566-E569 WeakPolarHBondContact CG-OE2 3.29Å; K566-E569 IonicContact NZ-OE1 2.67Å; K566-E569 PolarHBondContact NZ-OE1 2.79Å; K566-E569 IonicContact NZ-OE2 3.92Å; K566-E569 PolarHBondContact NZ-OE2 3.27Å; K566-E569 WeakPolarHBondContact O-CB 3.4Å; K566-E569 PolarHBondContact O-N 3.09Å
567P81.1Confident87.2Confident54 Ų5442.4 Ų42.435%0.35123%0.232SC..THydrogen-bonded Turntrans-54.1132.1175.7-2634.4000112.2F565 E569 Y595 D599F565-P567 HydrophobicContact CE1-CG 4.45Å; P567-E569 VanDerWaalsContact C-N 3.3Å; P567-E569 PolarHBondContact O-N 2.88Å; P567-Y595 HydrophobicContact CG-CD1 3.28Å; P567-Y595 HydrophobicContact CG-CD2 4.4Å; P567-Y595 HydrophobicContact CG-CE1 3.24Å; P567-Y595 HydrophobicContact CG-CE2 4.38Å; P567-Y595 HydrophobicContact CG-CG 3.89Å; P567-D599 HydrophobicContact CB-CB 4.33Å
568G79.7Confident87Confident75 Ų7547.4 Ų47.477%0.77325%0.251SS*.THydrogen-bonded Turntrans77.9-0.4179.300000116.3K566K566-G568 PolarHBondContact O-N 3.28Å
569E85Confident86.8Confident76 Ų7648.2 Ų48.236%0.35526%0.255SS..THydrogen-bonded Turntrans-86.4-31.4176.1-168.1164-163.100112.1N527 K566 P567N527-E569 PolarHBondContact ND2-O 3.37Å; K566-E569 HydrophobicContact CB-CB 4.27Å; K566-E569 WeakPolarHBondContact CB-OE2 3.3Å; K566-E569 WeakPolarHBondContact CD-OE2 3.41Å; K566-E569 WeakPolarHBondContact CG-OE2 3.29Å; K566-E569 IonicContact NZ-OE1 2.67Å; K566-E569 PolarHBondContact NZ-OE1 2.79Å; K566-E569 IonicContact NZ-OE2 3.92Å; K566-E569 PolarHBondContact NZ-OE2 3.27Å; K566-E569 WeakPolarHBondContact O-CB 3.4Å; K566-E569 PolarHBondContact O-N 3.09Å; P567-E569 VanDerWaalsContact C-N 3.3Å; P567-E569 PolarHBondContact O-N 2.88Å
570Y89.7Confident86.2Confident12 Ų1246.2 Ų46.25%0.04726%0.256CS..  trans-118.6137.8-178.8-58.3-67.6000110.7N527 L529 D553 F565 P601N527-Y570 HydrophobicContact CB-CD1 4.47Å; N527-Y570 CarbonylContact O-C 3.57Å; N527-Y570 WeakPolarHBondContact O-CA 3.48Å; L529-Y570 HydrophobicContact CB-CD1 3.8Å; L529-Y570 HydrophobicContact CB-CD2 4.07Å; L529-Y570 HydrophobicContact CB-CE1 4.04Å; L529-Y570 HydrophobicContact CB-CE2 4.28Å; L529-Y570 HydrophobicContact CB-CG 3.82Å; L529-Y570 HydrophobicContact CD1-CE1 4.41Å; L529-Y570 HydrophobicContact CD1-CE2 4.38Å; L529-Y570 HydrophobicContact CD2-CD2 4.17Å; L529-Y570 HydrophobicContact CD2-CE2 4.09Å; L529-Y570 HydrophobicContact CG-CE2 4.49Å; D553-Y570 HydrophobicContact CB-CE1 3.81Å; D553-Y570 VanDerWaalsContact OD2-CE1 3.3Å; D553-Y570 WeakPolarHBondContact OD2-CE1 3.28Å; D553-Y570 PolarHBondContact OD2-OH 3.36Å; F565-Y570 HydrophobicContact CD2-CD2 4.1Å; Y570-P601 WeakPolarHBondContact O-CB 3.4Å; Y570-P601 WeakPolarHBondContact O-CG 3.16Å
571D86.2Confident85.8Confident60 Ų6047.7 Ų47.732%0.32126%0.26SS..SBendtrans-90.8-25.5175.5-54.5-62.1000111.3L526 N527 P601 P602 W643L526-D571 HydrophobicContact CB-CB 4.08Å; L526-D571 HydrophobicContact CD2-CB 3.64Å; L526-D571 HydrophobicContact CG-CB 4.4Å; N527-D571 PolarHBondContact N-OD2 2.93Å; N527-D571 PolarHBondContact O-N 3.24Å; D571-P601 WeakPolarHBondContact O-CB 3.43Å; D571-P602 WeakPolarHBondContact O-CD 3.39Å; D571-W643 HydrophobicContact CB-CH2 4.45Å; D571-W643 HydrophobicContact CB-CZ2 4.14Å; D571-W643 WeakPolarHBondContact O-CH2 3.41Å
572L89.5Confident85.5Confident0 Ų049.7 Ų49.70%027%0.27CS..EExtended strand (participates in β ladder)trans-144.5141.8-179.6174.369.9000110.4N527 V528 L529 L574 P602 V604 M638N527-L572 PolarHBondContact O-N 3.44Å; V528-L572 WeakPolarHBondContact CA-O 3.35Å; V528-L572 HydrophobicContact CG1-CB 4.39Å; V528-L572 HydrophobicContact CG1-CD2 4.08Å; V528-L572 HydrophobicContact CG1-CG 4.23Å; V528-L572 HydrophobicContact CG2-CB 4.22Å; V528-L572 HydrophobicContact CG2-CD2 4.12Å; L529-L572 PolarHBondContact N-O 2.74Å; L572-L574 HydrophobicContact CD1-CD2 4.35Å; L572-L574 HydrophobicContact CD2-CD2 4.02Å; L572-L574 HydrophobicContact CD2-CG 4.3Å; L572-L574 HydrophobicContact CG-CD2 4.17Å; L572-L574 HydrophobicContact CG-CG 4.44Å; L572-P602 HydrophobicContact CD1-CB 4.16Å; L572-V604 HydrophobicContact CD1-CG2 3.86Å; L572-M638 HydrophobicContact CD1-CE 4.13Å; L572-M638 HydrophobicContact CD1-SD 4.12Å; L572-M638 HydrophobicContact CD2-CE 3.64Å
573V92.4Very high85.2Confident0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-122.7121.1173.3-173.10000109.8L529 F565 L575 P601 P602 L603 V604L529-V573 HydrophobicContact CB-CG1 4.24Å; L529-V573 HydrophobicContact CB-CG2 4.23Å; L529-V573 HydrophobicContact CD2-CG1 4.19Å; L529-V573 HydrophobicContact CG-CG1 4.34Å; L529-V573 CarbonylContact O-C 3.5Å; L529-V573 WeakPolarHBondContact O-CA 3.5Å; F565-V573 HydrophobicContact CD2-CG2 4.08Å; F565-V573 HydrophobicContact CE2-CG2 3.87Å; V573-L575 HydrophobicContact CG1-CD1 4.49Å; V573-L575 HydrophobicContact CG1-CD2 3.56Å; V573-L575 HydrophobicContact CG1-CG 3.84Å; V573-P601 HydrophobicContact CG2-CG 3.69Å; V573-P602 PolarHBondContact N-O 2.85Å; V573-P602 VanDerWaalsContact N-O 3.08Å; V573-L603 HydrophobicContact CB-CD2 3.68Å; V573-L603 HydrophobicContact CG1-CD2 4.26Å; V573-L603 HydrophobicContact CG2-CD2 3.88Å; V573-V604 PolarHBondContact O-N 3.17Å
574L91.1Very high84.9Confident0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-100.9118.8174.5-60.5-177.7000109.2V528 L529 L530 V531 L545 L572 V604 L606 L626 L635 M638V528-L574 HydrophobicContact CG1-CD1 4.07Å; V528-L574 HydrophobicContact CG1-CG 3.97Å; L529-L574 PolarHBondContact O-N 2.82Å; L530-L574 HydrophobicContact CD1-CB 3.89Å; L530-L574 HydrophobicContact CD1-CD1 4.28Å; V531-L574 PolarHBondContact N-O 3.23Å; L545-L574 HydrophobicContact CD1-CD1 3.76Å; L545-L574 HydrophobicContact CD2-CD1 4.2Å; L572-L574 HydrophobicContact CD1-CD2 4.35Å; L572-L574 HydrophobicContact CD2-CD2 4.02Å; L572-L574 HydrophobicContact CD2-CG 4.3Å; L572-L574 HydrophobicContact CG-CD2 4.17Å; L572-L574 HydrophobicContact CG-CG 4.44Å; L574-V604 WeakPolarHBondContact CA-O 3.3Å; L574-V604 HydrophobicContact CD2-CB 3.81Å; L574-V604 HydrophobicContact CD2-CG1 4.09Å; L574-L606 HydrophobicContact CB-CD1 4Å; L574-L606 HydrophobicContact CB-CD2 4.37Å; L574-L606 HydrophobicContact CB-CG 4.15Å; L574-L606 HydrophobicContact CD2-CD2 4.43Å; L574-L626 HydrophobicContact CD2-CD1 4.45Å; L574-L635 HydrophobicContact CD1-CD1 4.32Å; L574-M638 HydrophobicContact CD2-CE 4.4Å
575L91.3Very high84.8Confident0 Ų041.4 Ų41.40%023%0.234CC..EExtended strand (participates in β ladder)trans-115.9113.9-170.9-63.7173.2000111.1V531 V573 I577 I587 L603 V604 A605 L606 M622V531-L575 HydrophobicContact CB-CD2 3.98Å; V531-L575 HydrophobicContact CG2-CD2 3.59Å; V573-L575 HydrophobicContact CG1-CD1 4.49Å; V573-L575 HydrophobicContact CG1-CD2 3.56Å; V573-L575 HydrophobicContact CG1-CG 3.84Å; L575-I577 PolarHBondContact O-N 3.21Å; L575-I587 HydrophobicContact CD1-CG2 4.47Å; L575-I587 HydrophobicContact CD2-CB 4.36Å; L575-I587 HydrophobicContact CD2-CD1 4.28Å; L575-I587 HydrophobicContact CD2-CG2 3.85Å; L575-L603 HydrophobicContact CD1-CB 4.41Å; L575-V604 PolarHBondContact N-O 3.32Å; L575-A605 CarbonylContact O-C 3.51Å; L575-A605 WeakPolarHBondContact O-CA 3.43Å; L575-L606 PolarHBondContact O-N 3.11Å; L575-M622 HydrophobicContact CB-CE 4.3Å; L575-M622 HydrophobicContact CD1-CE 3.87Å
576D87Confident84.7Confident11 Ų1144.1 Ų44.16%0.05925%0.249CC..EExtended strand (participates in β ladder)trans-62134.8162.6-167.24.3000110.7V531 Q578 L579 G584 K628V531-D576 VanDerWaalsContact O-CB 3.24Å; V531-D576 WeakPolarHBondContact O-CB 3.48Å; V531-D576 PolarHBondContact O-N 2.85Å; D576-Q578 PolarHBondContact OD1-N 2.97Å; D576-L579 HydrophobicContact CB-CD2 3.95Å; D576-L579 HydrophobicContact CB-CG 4.23Å; D576-G584 WeakPolarHBondContact O-CA 3.3Å; D576-G584 PolarHBondContact O-N 2.9Å; D576-K628 IonicContact OD1-NZ 3.83Å; D576-K628 PolarHBondContact OD1-NZ 2.89Å; D576-K628 IonicContact OD2-NZ 3.99Å; D576-K628 PolarHBondContact OD2-NZ 3.39Å
577I82.6Confident84.9Confident24 Ų2439 Ų3912%0.12323%0.226CC..SBendtrans-70.8-36.2177-61.1-58.5000111L575 T583 G584 L585 A605 L606 Y617 M622L575-I577 PolarHBondContact O-N 3.21Å; I577-T583 VanDerWaalsContact O-CA 3.28Å; I577-T583 WeakPolarHBondContact O-CA 3.33Å; I577-T583 WeakPolarHBondContact O-CB 3.32Å; I577-G584 PolarHBondContact O-N 3.46Å; I577-L585 HydrophobicContact CD1-CD2 4.35Å; I577-L585 HydrophobicContact CD1-CG 4.36Å; I577-A605 HydrophobicContact CD1-CB 3.69Å; I577-A605 HydrophobicContact CG1-CB 4.21Å; I577-L606 PolarHBondContact N-O 3.43Å; I577-Y617 HydrophobicContact CD1-CD1 3.72Å; I577-Y617 HydrophobicContact CD1-CE1 3.53Å; I577-Y617 HydrophobicContact CG1-CD1 4.4Å; I577-Y617 HydrophobicContact CG1-CE1 3.73Å; I577-M622 HydrophobicContact CD1-CE 3.9Å; I577-M622 HydrophobicContact CD1-SD 4.25Å
578Q79.1Confident85.3Confident156 Ų15636.4 Ų36.473%0.72921%0.21SC*.BIsolated β-bridgetrans-104.4100.4-179.1-66.9-170.1-5.400110.5D576D576-Q578 PolarHBondContact OD1-N 2.97Å
579L81.8Confident85.7Confident17 Ų1739 Ų399%0.08920%0.196CC..  trans-116.6157171.2-59.7159.6000109.3V531 D533 D576 D581 M582 I587V531-L579 HydrophobicContact CG1-CD1 3.48Å; V531-L579 VanDerWaalsContact CG1-CD1 3.48Å; V531-L579 HydrophobicContact CG1-CD2 4.02Å; V531-L579 HydrophobicContact CG1-CG 4.4Å; D533-L579 HydrophobicContact CB-CD2 4.12Å; D576-L579 HydrophobicContact CB-CD2 3.95Å; D576-L579 HydrophobicContact CB-CG 4.23Å; L579-D581 VanDerWaalsContact C-N 3.31Å; L579-D581 PolarHBondContact O-N 3.49Å; L579-M582 CarbonylContact C-O 3.53Å; L579-M582 VanDerWaalsContact CB-O 3.26Å; L579-M582 WeakPolarHBondContact CB-O 3.27Å; L579-M582 PolarHBondContact N-O 2.97Å; L579-M582 VanDerWaalsContact O-O 3.11Å; L579-I587 HydrophobicContact CD1-CD1 3.38Å
580P75.3Confident85.8Confident93 Ų9338.3 Ų38.360%0.60419%0.193SC*.SBendtrans-68.7-24.8-172.123.6-34.8000114.3D533 T557D533-P580 VanDerWaalsContact CB-CD 3.47Å; D533-P580 HydrophobicContact CB-CG 4.15Å; T557-P580 HydrophobicContact CG2-CG 4.4Å
581D80.3Confident85.7Confident60 Ų6037.9 Ų37.932%0.32119%0.192SC..SBendtrans-107.6-26.4-17464.1-38.8000114.8G558 K559 L579G558-D581 PolarHBondContact N-OD1 3.42Å; G558-D581 PolarHBondContact N-OD2 2.87Å; K559-D581 WeakPolarHBondContact CG-OD2 3.31Å; K559-D581 PolarHBondContact N-OD2 3.44Å; L579-D581 VanDerWaalsContact C-N 3.31Å; L579-D581 PolarHBondContact O-N 3.49Å
582M83.8Confident85.7Confident44 Ų4437.6 Ų37.622%0.21719%0.192CC..SBendtrans-160173.417662.5-172.773.600110.3K559 L562 L579 D586 I587K559-M582 HydrophobicContact CG-CE 3.82Å; L562-M582 HydrophobicContact CD1-CE 4.16Å; L562-M582 HydrophobicContact CD1-SD 3.9Å; L579-M582 CarbonylContact C-O 3.53Å; L579-M582 VanDerWaalsContact CB-O 3.26Å; L579-M582 WeakPolarHBondContact CB-O 3.27Å; L579-M582 PolarHBondContact N-O 2.97Å; L579-M582 VanDerWaalsContact O-O 3.11Å; M582-D586 HydrophobicContact CB-CB 4.17Å; M582-I587 HydrophobicContact CG-CD1 4.39Å; M582-I587 HydrophobicContact CG-CG1 3.95Å; M582-I587 HydrophobicContact SD-CD1 4.45Å; M582-I587 HydrophobicContact SD-CG1 3.61Å
583T82.9Confident85.6Confident53 Ų5345.6 Ų45.633%0.32523%0.227SC..BIsolated β-bridgetrans-90.1156.8174.167.90000111.5I577 L585 D586 I587I577-T583 VanDerWaalsContact O-CA 3.28Å; I577-T583 WeakPolarHBondContact O-CA 3.33Å; I577-T583 WeakPolarHBondContact O-CB 3.32Å; T583-L585 PolarHBondContact O-N 2.94Å; T583-D586 WeakPolarHBondContact CB-OD2 3.49Å; T583-D586 PolarHBondContact N-OD2 2.89Å; T583-D586 WeakPolarHBondContact O-CA 3.42Å; T583-D586 WeakPolarHBondContact O-CB 3.35Å; T583-D586 PolarHBondContact O-N 3.4Å; T583-D586 PolarHBondContact OG1-N 3.22Å; T583-D586 PolarHBondContact OG1-OD2 2.86Å; T583-I587 PolarHBondContact O-N 3.35Å
584G83Confident85.3Confident0 Ų051.5 Ų51.50%025%0.249CC..Hα-helixtrans-56.4-30.3171.400000113.1D576 I577 D586 I587 S588 M622D576-G584 WeakPolarHBondContact O-CA 3.3Å; D576-G584 PolarHBondContact O-N 2.9Å; I577-G584 PolarHBondContact O-N 3.46Å; G584-D586 VanDerWaalsContact C-N 3.34Å; G584-I587 PolarHBondContact O-N 2.78Å; G584-S588 PolarHBondContact O-N 2.84Å; G584-M622 WeakPolarHBondContact O-CE 3.39Å
585L84.8Confident85.2Confident19 Ų1954.5 Ų54.510%0.09926%0.261CS..Hα-helixtrans-64.9-36.8173-59170.1000112I577 T583 S588 R589 Y617 A620 M622I577-L585 HydrophobicContact CD1-CD2 4.35Å; I577-L585 HydrophobicContact CD1-CG 4.36Å; T583-L585 PolarHBondContact O-N 2.94Å; L585-S588 PolarHBondContact O-N 3.27Å; L585-R589 WeakPolarHBondContact O-CB 3.39Å; L585-R589 VanDerWaalsContact O-CG 3.28Å; L585-R589 WeakPolarHBondContact O-CG 3.46Å; L585-R589 PolarHBondContact O-N 2.87Å; L585-Y617 HydrophobicContact CD2-CD1 3.8Å; L585-Y617 HydrophobicContact CD2-CE1 4.44Å; L585-A620 HydrophobicContact CB-CB 4.22Å; L585-A620 HydrophobicContact CD2-CB 3.51Å; L585-A620 HydrophobicContact CG-CB 4.43Å; L585-M622 HydrophobicContact CD2-CE 4.03Å; L585-M622 HydrophobicContact CD2-SD 3.92Å
586D87.9Confident84.8Confident63 Ų6358 Ų5834%0.33728%0.283SS..Hα-helixtrans-69.2-38.3177.2-59.7-45.5000111.2M582 T583 G584 R589 E590M582-D586 HydrophobicContact CB-CB 4.17Å; T583-D586 WeakPolarHBondContact CB-OD2 3.49Å; T583-D586 PolarHBondContact N-OD2 2.89Å; T583-D586 WeakPolarHBondContact O-CA 3.42Å; T583-D586 WeakPolarHBondContact O-CB 3.35Å; T583-D586 PolarHBondContact O-N 3.4Å; T583-D586 PolarHBondContact OG1-N 3.22Å; T583-D586 PolarHBondContact OG1-OD2 2.86Å; G584-D586 VanDerWaalsContact C-N 3.34Å; D586-R589 PolarHBondContact O-N 3.38Å; D586-R589 IonicContact OD1-NH1 3.37Å; D586-E590 WeakPolarHBondContact O-CB 3.28Å; D586-E590 PolarHBondContact O-N 3.33Å
587I89.1Confident84.4Confident1 Ų165.9 Ų65.91%0.00531%0.312CS..Hα-helixtrans-61.9-50173.6-59.7171.6000109.9V531 A561 L562 L575 L579 M582 T583 G584 R589 E590 L591V531-I587 HydrophobicContact CG1-CD1 4.07Å; A561-I587 HydrophobicContact CB-CD1 4.3Å; L562-I587 HydrophobicContact CD2-CG2 4.02Å; L562-I587 HydrophobicContact CG-CG2 4.41Å; L575-I587 HydrophobicContact CD1-CG2 4.47Å; L575-I587 HydrophobicContact CD2-CB 4.36Å; L575-I587 HydrophobicContact CD2-CD1 4.28Å; L575-I587 HydrophobicContact CD2-CG2 3.85Å; L579-I587 HydrophobicContact CD1-CD1 3.38Å; M582-I587 HydrophobicContact CG-CD1 4.39Å; M582-I587 HydrophobicContact CG-CG1 3.95Å; M582-I587 HydrophobicContact SD-CD1 4.45Å; M582-I587 HydrophobicContact SD-CG1 3.61Å; T583-I587 PolarHBondContact O-N 3.35Å; G584-I587 PolarHBondContact O-N 2.78Å; I587-R589 VanDerWaalsContact C-N 3.34Å; I587-R589 PolarHBondContact O-N 2.9Å; I587-E590 PolarHBondContact O-N 3.47Å; I587-L591 HydrophobicContact CG2-CD1 3.98Å; I587-L591 HydrophobicContact CG2-CG 4.27Å; I587-L591 WeakPolarHBondContact O-CB 3.42Å; I587-L591 WeakPolarHBondContact O-CG 3.31Å; I587-L591 PolarHBondContact O-N 3.13Å
588S89.6Confident84.2Confident0 Ų073.5 Ų73.50%035%0.348CS..Hα-helixtrans-56.5-45.3177.3166.80000112.2G584 L585 E590 L591 T592 A620 G621G584-S588 PolarHBondContact O-N 2.84Å; L585-S588 PolarHBondContact O-N 3.27Å; S588-E590 PolarHBondContact O-N 2.89Å; S588-L591 PolarHBondContact O-N 2.94Å; S588-T592 WeakPolarHBondContact O-CB 3.35Å; S588-T592 VanDerWaalsContact O-CG2 3.31Å; S588-T592 WeakPolarHBondContact O-CG2 3.12Å; S588-T592 PolarHBondContact O-N 3.46Å; S588-T592 PolarHBondContact O-OG1 2.93Å; S588-A620 PolarHBondContact OG-O 2.93Å; S588-G621 VanDerWaalsContact OG-C 3.3Å
589R87.4Confident84.3Confident129 Ų12970.1 Ų70.149%0.48733%0.334SS..Hα-helixtrans-64.4-39.4176.4-74.7172179.7155.92.5113.1L585 D586 I587 T592 K593L585-R589 WeakPolarHBondContact O-CB 3.39Å; L585-R589 VanDerWaalsContact O-CG 3.28Å; L585-R589 WeakPolarHBondContact O-CG 3.46Å; L585-R589 PolarHBondContact O-N 2.87Å; D586-R589 PolarHBondContact O-N 3.38Å; D586-R589 IonicContact OD1-NH1 3.37Å; I587-R589 VanDerWaalsContact C-N 3.34Å; I587-R589 PolarHBondContact O-N 2.9Å; R589-T592 WeakPolarHBondContact CA-OG1 3.4Å; R589-T592 PolarHBondContact O-OG1 3.46Å; R589-T592 VanDerWaalsContact O-OG1 3.12Å; R589-K593 WeakPolarHBondContact O-CB 3.35Å; R589-K593 PolarHBondContact O-N 3.46Å; R589-K593 VanDerWaalsContact O-N 3.1Å
590E87.3Confident84.5Confident63 Ų6370.4 Ų70.429%0.29434%0.336SS..Hα-helixtrans-71.3-40179.8-174.363.9-168.800111.1L562 D586 I587 S588 K593 R594L562-E590 HydrophobicContact CD1-CB 4.36Å; L562-E590 HydrophobicContact CD1-CG 3.99Å; L562-E590 HydrophobicContact CD2-CB 4.06Å; L562-E590 HydrophobicContact CD2-CG 3.94Å; D586-E590 WeakPolarHBondContact O-CB 3.28Å; D586-E590 PolarHBondContact O-N 3.33Å; I587-E590 PolarHBondContact O-N 3.47Å; S588-E590 PolarHBondContact O-N 2.89Å; E590-K593 PolarHBondContact O-N 2.93Å; E590-R594 WeakPolarHBondContact O-CB 3.46Å; E590-R594 VanDerWaalsContact O-CG 3.32Å; E590-R594 WeakPolarHBondContact O-CG 3.34Å; E590-R594 PolarHBondContact O-N 2.83Å; E590-R594 IonicContact OE1-CZ 3.23Å; E590-R594 VanDerWaalsContact OE1-CZ 3.23Å; E590-R594 IonicContact OE1-NE 2.76Å; E590-R594 PolarHBondContact OE1-NE 2.94Å; E590-R594 IonicContact OE1-NH2 2.84Å; E590-R594 PolarHBondContact OE1-NH2 3.5Å
591L88.1Confident85.1Confident3 Ų366.6 Ų66.62%0.01631%0.311CS..Hα-helixtrans-64.6-48.7175-70.8-178.7000111.9L562 F565 I587 S588 K593 R594 Y595 L600 L603L562-L591 HydrophobicContact CD2-CD2 3.77Å; L562-L591 HydrophobicContact CD2-CG 3.93Å; F565-L591 HydrophobicContact CB-CD2 4.12Å; F565-L591 HydrophobicContact CD1-CD2 3.36Å; F565-L591 HydrophobicContact CD2-CD1 4.24Å; F565-L591 HydrophobicContact CD2-CD2 4.43Å; F565-L591 HydrophobicContact CE1-CD2 3.86Å; F565-L591 HydrophobicContact CE2-CD1 4.46Å; F565-L591 HydrophobicContact CG-CD1 4.27Å; F565-L591 HydrophobicContact CG-CD2 3.7Å; I587-L591 HydrophobicContact CG2-CD1 3.98Å; I587-L591 HydrophobicContact CG2-CG 4.27Å; I587-L591 WeakPolarHBondContact O-CB 3.42Å; I587-L591 WeakPolarHBondContact O-CG 3.31Å; I587-L591 PolarHBondContact O-N 3.13Å; S588-L591 PolarHBondContact O-N 2.94Å; L591-K593 PolarHBondContact O-N 3.28Å; L591-R594 PolarHBondContact O-N 3.29Å; L591-R594 VanDerWaalsContact O-N 3.17Å; L591-Y595 HydrophobicContact CD2-CD2 4.34Å; L591-Y595 HydrophobicContact CD2-CE2 4.17Å; L591-Y595 PolarHBondContact O-N 2.95Å; L591-L600 HydrophobicContact CB-CD2 4.06Å; L591-L603 HydrophobicContact CD1-CD2 4.11Å
592T85.1Confident85.5Confident53 Ų5364.9 Ų64.933%0.32530%0.303SS..Hα-helixtrans-64.3-20.3176.652.70000113.9S588 R589 L600 L603S588-T592 WeakPolarHBondContact O-CB 3.35Å; S588-T592 VanDerWaalsContact O-CG2 3.31Å; S588-T592 WeakPolarHBondContact O-CG2 3.12Å; S588-T592 PolarHBondContact O-N 3.46Å; S588-T592 PolarHBondContact O-OG1 2.93Å; R589-T592 WeakPolarHBondContact CA-OG1 3.4Å; R589-T592 PolarHBondContact O-OG1 3.46Å; R589-T592 VanDerWaalsContact O-OG1 3.12Å; T592-L600 HydrophobicContact CG2-CD1 3.87Å; T592-L603 HydrophobicContact CG2-CD1 4.36Å
593K87.5Confident85.8Confident168 Ų16862.9 Ų62.973%0.7329%0.294SS*.Hα-helixtrans-86.7-34.9173.1-174-178.7176.5-170.60113.2R589 E590 L591R589-K593 WeakPolarHBondContact O-CB 3.35Å; R589-K593 PolarHBondContact O-N 3.46Å; R589-K593 VanDerWaalsContact O-N 3.1Å; E590-K593 PolarHBondContact O-N 2.93Å; L591-K593 PolarHBondContact O-N 3.28Å
594R87.1Confident86.2Confident124 Ų12460.4 Ų60.447%0.46828%0.278SS..Hα-helixtrans-77.9-33-179.1-76.4-178.1-170.8-179.98.8112.9E590 L591E590-R594 WeakPolarHBondContact O-CB 3.46Å; E590-R594 VanDerWaalsContact O-CG 3.32Å; E590-R594 WeakPolarHBondContact O-CG 3.34Å; E590-R594 PolarHBondContact O-N 2.83Å; E590-R594 IonicContact OE1-CZ 3.23Å; E590-R594 VanDerWaalsContact OE1-CZ 3.23Å; E590-R594 IonicContact OE1-NE 2.76Å; E590-R594 PolarHBondContact OE1-NE 2.94Å; E590-R594 IonicContact OE1-NH2 2.84Å; E590-R594 PolarHBondContact OE1-NH2 3.5Å; L591-R594 PolarHBondContact O-N 3.29Å; L591-R594 VanDerWaalsContact O-N 3.17Å
595Y87.5Confident86.4Confident63 Ų6360.4 Ų60.425%0.24728%0.278CS..SBendtrans-127.6145.8-171.4-55.1-71.3000111.6F565 P567 L591 L600F565-Y595 HydrophobicContact CD1-CD2 4.28Å; F565-Y595 AromaticContact CD1-CE2 3.84Å; F565-Y595 HydrophobicContact CD1-CE2 3.84Å; F565-Y595 AromaticContact CE1-CD2 3.84Å; F565-Y595 HydrophobicContact CE1-CD2 3.84Å; F565-Y595 AromaticContact CE1-CE2 3.83Å; F565-Y595 HydrophobicContact CE1-CE2 3.83Å; P567-Y595 HydrophobicContact CG-CD1 3.28Å; P567-Y595 HydrophobicContact CG-CD2 4.4Å; P567-Y595 HydrophobicContact CG-CE1 3.24Å; P567-Y595 HydrophobicContact CG-CE2 4.38Å; P567-Y595 HydrophobicContact CG-CG 3.89Å; L591-Y595 HydrophobicContact CD2-CD2 4.34Å; L591-Y595 HydrophobicContact CD2-CE2 4.17Å; L591-Y595 PolarHBondContact O-N 2.95Å; Y595-L600 HydrophobicContact CD2-CD2 4.16Å; Y595-L600 HydrophobicContact CG-CD2 4.45Å
596P82.7Confident86.3Confident73 Ų7359.5 Ų59.547%0.47427%0.273SS..  trans-57.7150.4168.7-18.630.5000111.1E598 D599P596-E598 PolarHBondContact O-N 2.93Å; P596-D599 WeakPolarHBondContact CD-OD2 3.46Å; P596-D599 WeakPolarHBondContact CG-OD2 3.49Å; P596-D599 PolarHBondContact O-N 3.47Å
597R79.3Confident85.8Confident177 Ų17757.1 Ų57.167%0.66826%0.261SS*.G310 helixtrans-62.8-25.1-178.8-147.4-179.4-178.9165.61.1113.4D599 D623R597-D599 VanDerWaalsContact C-N 3.31Å; R597-D623 IonicContact NH2-OD1 3.4Å
598E78.2Confident84.6Confident185 Ų18561.3 Ų61.386%0.86430%0.296SS*.G310 helixtrans-71.2-24.8176.7-65.7163.2-162.200112.9P596P596-E598 PolarHBondContact O-N 2.93Å
599D81.8Confident82.9Confident84 Ų8465.1 Ų65.145%0.44932%0.316SS..G310 helixtrans-95.6-1.8-179.1-69-29.5000112.5P567 P596 R597P567-D599 HydrophobicContact CB-CB 4.33Å; P596-D599 WeakPolarHBondContact CD-OD2 3.46Å; P596-D599 WeakPolarHBondContact CG-OD2 3.49Å; P596-D599 PolarHBondContact O-N 3.47Å; R597-D599 VanDerWaalsContact C-N 3.31Å
600L86Confident81.4Confident24 Ų2461.6 Ų61.613%0.12631%0.309CS..PPolyproline II helixtrans-100.1129.4-177.8-72.6171.3000110.6F565 L591 T592 Y595F565-L600 HydrophobicContact CE1-CD2 3.8Å; F565-L600 HydrophobicContact CZ-CD2 3.6Å; L591-L600 HydrophobicContact CB-CD2 4.06Å; T592-L600 HydrophobicContact CG2-CD1 3.87Å; Y595-L600 HydrophobicContact CD2-CD2 4.16Å; Y595-L600 HydrophobicContact CG-CD2 4.45Å
601P87.7Confident79.5Confident13 Ų1366.5 Ų66.58%0.08434%0.336CS..PPolyproline II helixtrans-67.2162.1167.530.2-34.3000110.8F565 Y570 D571 V573 L603F565-P601 HydrophobicContact CE2-CG 3.78Å; F565-P601 HydrophobicContact CZ-CG 4.19Å; Y570-P601 WeakPolarHBondContact O-CB 3.4Å; Y570-P601 WeakPolarHBondContact O-CG 3.16Å; D571-P601 WeakPolarHBondContact O-CB 3.43Å; V573-P601 HydrophobicContact CG2-CG 3.69Å; P601-L603 PolarHBondContact O-N 3.46Å
602P88.5Confident77.8Confident24 Ų2471.7 Ų71.716%0.15636%0.359CS..PPolyproline II helixtrans-49.1125.7170-28.335.8000112D571 L572 V573 D623 F642 W643D571-P602 WeakPolarHBondContact O-CD 3.39Å; L572-P602 HydrophobicContact CD1-CB 4.16Å; V573-P602 PolarHBondContact N-O 2.85Å; V573-P602 VanDerWaalsContact N-O 3.08Å; P602-D623 WeakPolarHBondContact CA-OD2 3.46Å; P602-F642 HydrophobicContact CB-CD1 4.1Å; P602-F642 HydrophobicContact CB-CD2 4.38Å; P602-F642 HydrophobicContact CB-CE1 4.07Å; P602-F642 HydrophobicContact CB-CE2 4.36Å; P602-F642 HydrophobicContact CB-CG 4.27Å; P602-F642 HydrophobicContact CB-CZ 4.2Å; P602-F642 HydrophobicContact CG-CB 4.44Å; P602-F642 HydrophobicContact CG-CD1 3.88Å; P602-F642 HydrophobicContact CG-CE1 4.28Å; P602-F642 HydrophobicContact CG-CG 4.1Å; P602-W643 HydrophobicContact CG-CH2 3.89Å; P602-W643 HydrophobicContact CG-CZ3 4.22Å
603L90.8Very high76.6Confident2 Ų275.2 Ų75.21%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-100.9113.6177.5-59.3-178.8000108.9V573 L575 L591 T592 P601 M622 D623V573-L603 HydrophobicContact CB-CD2 3.68Å; V573-L603 HydrophobicContact CG1-CD2 4.26Å; V573-L603 HydrophobicContact CG2-CD2 3.88Å; L575-L603 HydrophobicContact CD1-CB 4.41Å; L591-L603 HydrophobicContact CD1-CD2 4.11Å; T592-L603 HydrophobicContact CG2-CD1 4.36Å; P601-L603 PolarHBondContact O-N 3.46Å; L603-M622 HydrophobicContact CB-CG 4.43Å; L603-M622 CarbonylContact O-C 3.55Å; L603-M622 WeakPolarHBondContact O-CA 3.45Å; L603-M622 WeakPolarHBondContact O-CB 3.49Å; L603-D623 PolarHBondContact N-OD2 3.38Å; L603-D623 PolarHBondContact O-N 3.26Å
604V90.6Very high75.4Confident0 Ų071.4 Ų71.40%036%0.359CS..EExtended strand (participates in β ladder)trans-116127.4-175.5178.80000110.7L572 V573 L574 L575 D624 L626 M638 F642L572-V604 HydrophobicContact CD1-CG2 3.86Å; V573-V604 PolarHBondContact O-N 3.17Å; L574-V604 WeakPolarHBondContact CA-O 3.3Å; L574-V604 HydrophobicContact CD2-CB 3.81Å; L574-V604 HydrophobicContact CD2-CG1 4.09Å; L575-V604 PolarHBondContact N-O 3.32Å; V604-D624 WeakPolarHBondContact CA-O 3.34Å; V604-D624 HydrophobicContact CG1-CB 4.33Å; V604-D624 HydrophobicContact CG2-CB 4.13Å; V604-L626 HydrophobicContact CG1-CB 4.36Å; V604-L626 HydrophobicContact CG1-CD1 3.85Å; V604-L626 HydrophobicContact CG1-CG 3.77Å; V604-M638 HydrophobicContact CG2-CG 4.4Å; V604-M638 HydrophobicContact CG2-SD 4Å; V604-F642 HydrophobicContact CG2-CE2 4.29Å
605A87.8Confident74.6Confident0 Ų070.4 Ų70.40%036%0.36CS..EExtended strand (participates in β ladder)trans-75.8136.2176.400000112.1L575 I577 Y617 M622 D624 V625 L626L575-A605 CarbonylContact O-C 3.51Å; L575-A605 WeakPolarHBondContact O-CA 3.43Å; I577-A605 HydrophobicContact CD1-CB 3.69Å; I577-A605 HydrophobicContact CG1-CB 4.21Å; A605-Y617 HydrophobicContact CB-CD1 3.93Å; A605-Y617 HydrophobicContact CB-CE1 4.4Å; A605-Y617 HydrophobicContact CB-CG 4.41Å; A605-M622 HydrophobicContact CB-CE 4.44Å; A605-M622 HydrophobicContact CB-SD 3.7Å; A605-D624 PolarHBondContact N-O 2.93Å; A605-V625 HydrophobicContact CB-CB 4.15Å; A605-V625 HydrophobicContact CB-CG2 3.85Å; A605-V625 CarbonylContact O-C 3.59Å; A605-V625 WeakPolarHBondContact O-CA 3.47Å; A605-L626 PolarHBondContact O-N 2.75Å
606L82.9Confident73.9Confident0 Ų071.8 Ų71.80%037%0.369CS..EExtended strand (participates in β ladder)trans-102.5119164.8-57-179000108.8L530 L574 L575 I577 L626 K628 L630L530-L606 HydrophobicContact CD1-CD1 3.66Å; L574-L606 HydrophobicContact CB-CD1 4Å; L574-L606 HydrophobicContact CB-CD2 4.37Å; L574-L606 HydrophobicContact CB-CG 4.15Å; L574-L606 HydrophobicContact CD2-CD2 4.43Å; L575-L606 PolarHBondContact O-N 3.11Å; I577-L606 PolarHBondContact N-O 3.43Å; L606-L626 HydrophobicContact CD2-CB 4.06Å; L606-L626 HydrophobicContact CD2-CD1 4.48Å; L606-K628 HydrophobicContact CB-CD 4.33Å; L606-K628 VanDerWaalsContact CB-CE 3.41Å; L606-K628 HydrophobicContact CB-CG 4.12Å; L606-L630 HydrophobicContact CD1-CD1 4.07Å; L606-L630 HydrophobicContact CD2-CD1 3.99Å; L606-L630 HydrophobicContact CD2-CD2 3.76Å; L606-L630 HydrophobicContact CD2-CG 4.02Å
607T76.4Confident73.6Confident14 Ų1468.7 Ų68.79%0.08635%0.347CS..EExtended strand (participates in β ladder)trans-139.4143-178.2-179.50000111.6N609 V610 V625 L626 S627 K628T607-N609 PolarHBondContact O-N 2.94Å; T607-N609 PolarHBondContact OG1-N 3.45Å; T607-N609 VanDerWaalsContact OG1-N 3.15Å; T607-N609 PolarHBondContact OG1-O 3.43Å; T607-V610 HydrophobicContact CG2-CG2 3.86Å; T607-V625 HydrophobicContact CG2-CG2 3.41Å; T607-V625 VanDerWaalsContact CG2-CG2 3.41Å; T607-L626 PolarHBondContact N-O 3.34Å; T607-S627 CarbonylContact O-C 3.59Å; T607-S627 VanDerWaalsContact O-CA 3.26Å; T607-S627 WeakPolarHBondContact O-CA 3.21Å; T607-K628 PolarHBondContact O-N 3.3Å
608A64.3Low73.6Confident89 Ų8963.2 Ų63.274%0.73633%0.331SS*.SBendtrans-69.2-15.4170.400000112.6
609N54.2Low73.5Confident79 Ų7960.2 Ų60.242%0.42232%0.321SS..  trans-136.291.7-174.8-170.213.8000112.1T607 L611T607-N609 PolarHBondContact O-N 2.94Å; T607-N609 PolarHBondContact OG1-N 3.45Å; T607-N609 VanDerWaalsContact OG1-N 3.15Å; T607-N609 PolarHBondContact OG1-O 3.43Å; N609-L611 PolarHBondContact O-N 2.91Å; N609-L611 WeakPolarHBondContact OD1-CB 3.47Å; N609-L611 PolarHBondContact OD1-N 3.3Å
610V56.2Low73.3Confident56 Ų5656.4 Ų56.434%0.33930%0.301SS..THydrogen-bonded Turntrans-74.1-15177.1-175.40000112.1T607 K612 V625T607-V610 HydrophobicContact CG2-CG2 3.86Å; V610-K612 PolarHBondContact O-N 2.98Å; V610-K612 VanDerWaalsContact O-N 3.14Å; V610-V625 HydrophobicContact CG1-CG1 3.92Å; V610-V625 HydrophobicContact CG2-CG2 4.44Å
611L47.8Very low72.9Confident165 Ų16556 Ų5686%0.86430%0.302SS*.THydrogen-bonded Turntrans-68.8-9.1179.2-67.4156.7000113.5N609N609-L611 PolarHBondContact O-N 2.91Å; N609-L611 WeakPolarHBondContact OD1-CB 3.47Å; N609-L611 PolarHBondContact OD1-N 3.3Å
612K51.7Low72.9Confident112 Ų11255.4 Ų55.449%0.48730%0.299SS..SBendtrans-66.5144.9166.5-92-166.8171-165.20110V610 K614 Y617V610-K612 PolarHBondContact O-N 2.98Å; V610-K612 VanDerWaalsContact O-N 3.14Å; K612-K614 PolarHBondContact O-N 3.48Å; K612-Y617 HydrophobicContact CB-CE2 4.33Å
613D59.6Low72.7Confident127 Ų12756.7 Ų56.768%0.67930%0.304SS*.  trans-47.7104.7-178.4-148.1-13.2000110.2Q615 E616D613-Q615 PolarHBondContact O-N 3.37Å; D613-E616 WeakPolarHBondContact O-CB 3.42Å; D613-E616 PolarHBondContact O-N 3.06Å
614K62.8Low72.4Confident89 Ų8957.1 Ų57.139%0.38731%0.307SS..Hα-helixtrans-52.4-24.6-176.1-172.4167.8177161.50111.5K612 E616 Y617 L618 D624 V625K612-K614 PolarHBondContact O-N 3.48Å; K614-E616 VanDerWaalsContact C-N 3.3Å; K614-E616 PolarHBondContact O-N 3.17Å; K614-Y617 PolarHBondContact O-N 3.18Å; K614-L618 HydrophobicContact CG-CD1 4.38Å; K614-L618 WeakPolarHBondContact O-CG 3.05Å; K614-L618 PolarHBondContact O-N 2.94Å; K614-D624 WeakPolarHBondContact CE-OD1 3.23Å; K614-D624 IonicContact NZ-OD1 2.65Å; K614-D624 PolarHBondContact NZ-OD1 3.06Å; K614-V625 HydrophobicContact CD-CG1 3.94Å; K614-V625 HydrophobicContact CG-CG1 3.89Å
615Q68.8Low72Confident102 Ų10257.6 Ų57.648%0.47731%0.31SS..Hα-helixtrans-57.2-33.2173.5-150.963.939.300114.4D613 L618 N619D613-Q615 PolarHBondContact O-N 3.37Å; Q615-L618 PolarHBondContact O-N 3.43Å; Q615-N619 VanDerWaalsContact O-CB 3.22Å; Q615-N619 WeakPolarHBondContact O-CB 3.44Å; Q615-N619 PolarHBondContact O-N 3.01Å; Q615-N619 PolarHBondContact O-ND2 3.32Å; Q615-N619 PolarHBondContact O-OD1 2.98Å
616E73.3Confident71.6Confident92 Ų9258.3 Ų58.343%0.4331%0.313SS..Hα-helixtrans-64.2-42.2179.5-170.7175.4-166.500111.3D613 K614 A620D613-E616 WeakPolarHBondContact O-CB 3.42Å; D613-E616 PolarHBondContact O-N 3.06Å; K614-E616 VanDerWaalsContact C-N 3.3Å; K614-E616 PolarHBondContact O-N 3.17Å; E616-A620 PolarHBondContact O-N 3.44Å
617Y77.5Confident70.9Confident8 Ų860.9 Ų60.93%0.03133%0.331CS..Hα-helixtrans-68.9-46.4177.3-54.1-75.1000111.3I577 L585 A605 K612 K614 N619 A620 G621 M622 V625I577-Y617 HydrophobicContact CD1-CD1 3.72Å; I577-Y617 HydrophobicContact CD1-CE1 3.53Å; I577-Y617 HydrophobicContact CG1-CD1 4.4Å; I577-Y617 HydrophobicContact CG1-CE1 3.73Å; L585-Y617 HydrophobicContact CD2-CD1 3.8Å; L585-Y617 HydrophobicContact CD2-CE1 4.44Å; A605-Y617 HydrophobicContact CB-CD1 3.93Å; A605-Y617 HydrophobicContact CB-CE1 4.4Å; A605-Y617 HydrophobicContact CB-CG 4.41Å; K612-Y617 HydrophobicContact CB-CE2 4.33Å; K614-Y617 PolarHBondContact O-N 3.18Å; Y617-N619 VanDerWaalsContact C-N 3.31Å; Y617-N619 PolarHBondContact O-N 3.43Å; Y617-A620 WeakPolarHBondContact O-CB 3.45Å; Y617-A620 PolarHBondContact O-N 3.16Å; Y617-G621 PolarHBondContact O-N 2.95Å; Y617-M622 HydrophobicContact CD1-SD 4.07Å; Y617-M622 WeakPolarHBondContact O-CB 3.45Å; Y617-M622 PolarHBondContact O-N 3.48Å; Y617-V625 HydrophobicContact CD2-CB 4.49Å; Y617-V625 HydrophobicContact CD2-CG2 4.35Å; Y617-V625 HydrophobicContact CE2-CG2 4.31Å
618L78Confident70.4Confident63 Ų6362.1 Ų62.133%0.3334%0.335SS..Hα-helixtrans-60.5-40.7177.9-66.3172.1000111.9K614 Q615 A620 G621 M622K614-L618 HydrophobicContact CG-CD1 4.38Å; K614-L618 WeakPolarHBondContact O-CG 3.05Å; K614-L618 PolarHBondContact O-N 2.94Å; Q615-L618 PolarHBondContact O-N 3.43Å; L618-A620 VanDerWaalsContact C-N 3.26Å; L618-A620 PolarHBondContact O-N 3.32Å; L618-G621 PolarHBondContact O-N 3.42Å; L618-G621 VanDerWaalsContact O-N 3.16Å; L618-M622 WeakPolarHBondContact CA-O 3.43Å; L618-M622 WeakPolarHBondContact CD2-O 3.43Å
619N77Confident70Confident122 Ų12260 Ų6065%0.65231%0.314SS*.Hα-helixtrans-69.1-22.7177.1-70.6-16.1000113.1Q615 Y617Q615-N619 VanDerWaalsContact O-CB 3.22Å; Q615-N619 WeakPolarHBondContact O-CB 3.44Å; Q615-N619 PolarHBondContact O-N 3.01Å; Q615-N619 PolarHBondContact O-ND2 3.32Å; Q615-N619 PolarHBondContact O-OD1 2.98Å; Y617-N619 VanDerWaalsContact C-N 3.31Å; Y617-N619 PolarHBondContact O-N 3.43Å
620A77Confident70.5Confident4 Ų457.2 Ų57.23%0.03330%0.299CS..Hα-helixtrans-79-9.5174.700000113.1L585 S588 E616 Y617 L618L585-A620 HydrophobicContact CB-CB 4.22Å; L585-A620 HydrophobicContact CD2-CB 3.51Å; L585-A620 HydrophobicContact CG-CB 4.43Å; S588-A620 PolarHBondContact OG-O 2.93Å; E616-A620 PolarHBondContact O-N 3.44Å; Y617-A620 WeakPolarHBondContact O-CB 3.45Å; Y617-A620 PolarHBondContact O-N 3.16Å; L618-A620 VanDerWaalsContact C-N 3.26Å; L618-A620 PolarHBondContact O-N 3.32Å
621G78.7Confident70.8Confident14 Ų1457 Ų5714%0.14430%0.3CS..THydrogen-bonded Turntrans102.314-178.900000114.1S588 Y617 L618S588-G621 VanDerWaalsContact OG-C 3.3Å; Y617-G621 PolarHBondContact O-N 2.95Å; L618-G621 PolarHBondContact O-N 3.42Å; L618-G621 VanDerWaalsContact O-N 3.16Å
622M86.2Confident71.5Confident2 Ų252 Ų521%0.0128%0.276CS..  trans-86.4156172.3-62.3168.9167.100111L575 I577 G584 L585 L603 A605 Y617 L618L575-M622 HydrophobicContact CB-CE 4.3Å; L575-M622 HydrophobicContact CD1-CE 3.87Å; I577-M622 HydrophobicContact CD1-CE 3.9Å; I577-M622 HydrophobicContact CD1-SD 4.25Å; G584-M622 WeakPolarHBondContact O-CE 3.39Å; L585-M622 HydrophobicContact CD2-CE 4.03Å; L585-M622 HydrophobicContact CD2-SD 3.92Å; L603-M622 HydrophobicContact CB-CG 4.43Å; L603-M622 CarbonylContact O-C 3.55Å; L603-M622 WeakPolarHBondContact O-CA 3.45Å; L603-M622 WeakPolarHBondContact O-CB 3.49Å; A605-M622 HydrophobicContact CB-CE 4.44Å; A605-M622 HydrophobicContact CB-SD 3.7Å; Y617-M622 HydrophobicContact CD1-SD 4.07Å; Y617-M622 WeakPolarHBondContact O-CB 3.45Å; Y617-M622 PolarHBondContact O-N 3.48Å; L618-M622 WeakPolarHBondContact CA-O 3.43Å; L618-M622 WeakPolarHBondContact CD2-O 3.43Å
623D84.8Confident71.9Confident50 Ų5051.2 Ų51.227%0.26728%0.282SS..SBendtrans-103.5-26.3-175.7-55.6-69.1000112.5R597 P602 L603 F642R597-D623 IonicContact NH2-OD1 3.4Å; P602-D623 WeakPolarHBondContact CA-OD2 3.46Å; L603-D623 PolarHBondContact N-OD2 3.38Å; L603-D623 PolarHBondContact O-N 3.26Å; D623-F642 HydrophobicContact CB-CE1 3.85Å; D623-F642 HydrophobicContact CB-CZ 3.68Å
624D85.3Confident72.2Confident12 Ų1246.6 Ų46.66%0.06426%0.262CS..EExtended strand (participates in β ladder)trans-155177.9172.2-138.5-26.4000113.8V604 A605 K614 K641 F642V604-D624 WeakPolarHBondContact CA-O 3.34Å; V604-D624 HydrophobicContact CG1-CB 4.33Å; V604-D624 HydrophobicContact CG2-CB 4.13Å; A605-D624 PolarHBondContact N-O 2.93Å; K614-D624 WeakPolarHBondContact CE-OD1 3.23Å; K614-D624 IonicContact NZ-OD1 2.65Å; K614-D624 PolarHBondContact NZ-OD1 3.06Å; D624-K641 IonicContact OD2-NZ 3.08Å; D624-K641 PolarHBondContact OD2-NZ 3.47Å; D624-F642 HydrophobicContact CB-CE2 4.07Å; D624-F642 HydrophobicContact CB-CZ 4.08Å
625V82.3Confident72.6Confident10 Ų1042.4 Ų42.46%0.06124%0.244CC..EExtended strand (participates in β ladder)trans-137.1136.1176.364.70000110.8A605 T607 V610 K614 Y617A605-V625 HydrophobicContact CB-CB 4.15Å; A605-V625 HydrophobicContact CB-CG2 3.85Å; A605-V625 CarbonylContact O-C 3.59Å; A605-V625 WeakPolarHBondContact O-CA 3.47Å; T607-V625 HydrophobicContact CG2-CG2 3.41Å; T607-V625 VanDerWaalsContact CG2-CG2 3.41Å; V610-V625 HydrophobicContact CG1-CG1 3.92Å; V610-V625 HydrophobicContact CG2-CG2 4.44Å; K614-V625 HydrophobicContact CD-CG1 3.94Å; K614-V625 HydrophobicContact CG-CG1 3.89Å; Y617-V625 HydrophobicContact CD2-CB 4.49Å; Y617-V625 HydrophobicContact CD2-CG2 4.35Å; Y617-V625 HydrophobicContact CE2-CG2 4.31Å
626L78Confident72.6Confident14 Ų1438.9 Ų38.97%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-119.4140.8174.8-68.6173.8000110.4L574 V604 A605 L606 T607 L630 A634 L635 M638L574-L626 HydrophobicContact CD2-CD1 4.45Å; V604-L626 HydrophobicContact CG1-CB 4.36Å; V604-L626 HydrophobicContact CG1-CD1 3.85Å; V604-L626 HydrophobicContact CG1-CG 3.77Å; A605-L626 PolarHBondContact O-N 2.75Å; L606-L626 HydrophobicContact CD2-CB 4.06Å; L606-L626 HydrophobicContact CD2-CD1 4.48Å; T607-L626 PolarHBondContact N-O 3.34Å; L626-L630 HydrophobicContact CB-CD2 4.34Å; L626-L630 HydrophobicContact CD1-CD2 3.83Å; L626-A634 HydrophobicContact CD2-CB 4.12Å; L626-L635 HydrophobicContact CD1-CD1 3.86Å; L626-M638 HydrophobicContact CD1-CE 4.05Å; L626-M638 HydrophobicContact CD1-CG 4.4Å; L626-M638 HydrophobicContact CD2-CB 4.2Å
627S70.1Confident72.3Confident54 Ų5437.3 Ų37.338%0.37823%0.232SC..EExtended strand (participates in β ladder)trans-73.5143171.648.20000111T607 P629T607-S627 CarbonylContact O-C 3.59Å; T607-S627 VanDerWaalsContact O-CA 3.26Å; T607-S627 WeakPolarHBondContact O-CA 3.21Å; S627-P629 CarbonylContact O-C 3.53Å
628K65.8Low72.3Confident41 Ų4137.2 Ų37.218%0.17823%0.232CC..SBendtrans-89.4141.4160.9-65.8-179.3177.4-176.80109.7E532 D576 L606 T607E532-K628 IonicContact OE1-NZ 2.7Å; E532-K628 PolarHBondContact OE1-NZ 3.07Å; E532-K628 WeakPolarHBondContact OE2-CE 3.47Å; E532-K628 IonicContact OE2-NZ 2.74Å; E532-K628 PolarHBondContact OE2-NZ 3.43Å; D576-K628 IonicContact OD1-NZ 3.83Å; D576-K628 PolarHBondContact OD1-NZ 2.89Å; D576-K628 IonicContact OD2-NZ 3.99Å; D576-K628 PolarHBondContact OD2-NZ 3.39Å; L606-K628 HydrophobicContact CB-CD 4.33Å; L606-K628 VanDerWaalsContact CB-CE 3.41Å; L606-K628 HydrophobicContact CB-CG 4.12Å; T607-K628 PolarHBondContact O-N 3.3Å
629P55.5Low72.3Confident43 Ų4334.2 Ų34.228%0.27922%0.216SC..SBendcis-70.8148-2.130-34.1000112.3T359 S627 S631T359-P629 HydrophobicContact CG2-CB 3.73Å; T359-P629 HydrophobicContact CG2-CG 3.76Å; S627-P629 CarbonylContact O-C 3.53Å; P629-S631 PolarHBondContact O-N 3.38Å
630L63.7Low72Confident21 Ų2132.7 Ų32.711%0.1120%0.204CC..PPolyproline II helixtrans-64.5122176.9-85.2158.6000109.9A541 L606 L626 L635A541-L630 HydrophobicContact CB-CD1 3.49Å; A541-L630 VanDerWaalsContact CB-CD1 3.49Å; L606-L630 HydrophobicContact CD1-CD1 4.07Å; L606-L630 HydrophobicContact CD2-CD1 3.99Å; L606-L630 HydrophobicContact CD2-CD2 3.76Å; L606-L630 HydrophobicContact CD2-CG 4.02Å; L626-L630 HydrophobicContact CB-CD2 4.34Å; L626-L630 HydrophobicContact CD1-CD2 3.83Å; L630-L635 HydrophobicContact CD2-CD1 3.94Å
631S63.4Low72Confident53 Ų5338.5 Ų38.537%0.37123%0.229SC..PPolyproline II helixtrans-103.1146.9173.173.10000111P629 A634 L635P629-S631 PolarHBondContact O-N 3.38Å; S631-A634 PolarHBondContact O-N 3.44Å; S631-A634 VanDerWaalsContact OG-CB 3.3Å; S631-A634 WeakPolarHBondContact OG-CB 3.33Å; S631-A634 PolarHBondContact OG-N 2.79Å; S631-L635 WeakPolarHBondContact O-CB 3.41Å; S631-L635 PolarHBondContact O-N 3.38Å; S631-L635 VanDerWaalsContact O-N 3.09Å
632V62.6Low71.9Confident59 Ų5940.9 Ų40.936%0.35824%0.235SC..Hα-helixtrans-54.6-46.5176.4176.90000111.5V544 L548 A634 L635 T636V544-V632 HydrophobicContact CG1-CG2 3.91Å; L548-V632 HydrophobicContact CD1-CG1 4.45Å; L548-V632 HydrophobicContact CD2-CG1 4.01Å; V632-A634 PolarHBondContact O-N 3.28Å; V632-L635 PolarHBondContact O-N 2.96Å; V632-T636 WeakPolarHBondContact O-CB 3.48Å; V632-T636 PolarHBondContact O-N 2.97Å; V632-T636 PolarHBondContact O-OG1 2.98Å
633P59.7Low71.2Confident95 Ų9545.2 Ų45.262%0.61725%0.251SS*.Hα-helixtrans-63.8-42.2-178.7-23.135.2000113.4L635 T636 A637P633-L635 VanDerWaalsContact C-N 3.34Å; P633-L635 PolarHBondContact O-N 3.02Å; P633-T636 PolarHBondContact O-N 3.46Å; P633-A637 VanDerWaalsContact O-CB 3.28Å; P633-A637 WeakPolarHBondContact O-CB 3.41Å; P633-A637 PolarHBondContact O-N 3.43Å
634A66.5Low69.8Low31 Ų3147.8 Ų47.826%0.25627%0.265SS..Hα-helixtrans-66.1-39.5-179.800000111.5L626 S631 V632 M638L626-A634 HydrophobicContact CD2-CB 4.12Å; S631-A634 PolarHBondContact O-N 3.44Å; S631-A634 VanDerWaalsContact OG-CB 3.3Å; S631-A634 WeakPolarHBondContact OG-CB 3.33Å; S631-A634 PolarHBondContact OG-N 2.79Å; V632-A634 PolarHBondContact O-N 3.28Å; A634-M638 WeakPolarHBondContact O-CB 3.41Å; A634-M638 PolarHBondContact O-N 2.89Å; A634-M638 VanDerWaalsContact O-N 3.09Å
635L70.3Confident67.4Low0 Ų053.6 Ų53.60%030%0.301CS..Hα-helixtrans-68.9-44.8177.5-165.770.9000111.4V544 L545 L548 L574 L626 L630 S631 V632 P633 M638 I639V544-L635 HydrophobicContact CG1-CD2 3.93Å; L545-L635 HydrophobicContact CD2-CD1 4.11Å; L545-L635 HydrophobicContact CD2-CD2 3.44Å; L545-L635 VanDerWaalsContact CD2-CD2 3.44Å; L545-L635 HydrophobicContact CD2-CG 4.22Å; L545-L635 HydrophobicContact CG-CD2 3.86Å; L548-L635 HydrophobicContact CD1-CB 4.47Å; L548-L635 HydrophobicContact CD1-CD2 3.51Å; L548-L635 HydrophobicContact CD1-CG 4.25Å; L574-L635 HydrophobicContact CD1-CD1 4.32Å; L626-L635 HydrophobicContact CD1-CD1 3.86Å; L630-L635 HydrophobicContact CD2-CD1 3.94Å; S631-L635 WeakPolarHBondContact O-CB 3.41Å; S631-L635 PolarHBondContact O-N 3.38Å; S631-L635 VanDerWaalsContact O-N 3.09Å; V632-L635 PolarHBondContact O-N 2.96Å; P633-L635 VanDerWaalsContact C-N 3.34Å; P633-L635 PolarHBondContact O-N 3.02Å; L635-M638 HydrophobicContact CD1-CE 3.81Å; L635-M638 PolarHBondContact O-N 2.97Å; L635-I639 HydrophobicContact CG-CD1 4.25Å; L635-I639 VanDerWaalsContact O-CG1 3.32Å; L635-I639 WeakPolarHBondContact O-CG1 3.16Å; L635-I639 PolarHBondContact O-N 3.44Å
636T68.2Low65Low28 Ų2860.9 Ų60.917%0.17233%0.334CS..Hα-helixtrans-60.9-46.2175.5-65.20000111.9L523 V632 P633 M638 I639 K640L523-T636 HydrophobicContact CD1-CG2 3.95Å; L523-T636 HydrophobicContact CD2-CG2 4.28Å; V632-T636 WeakPolarHBondContact O-CB 3.48Å; V632-T636 PolarHBondContact O-N 2.97Å; V632-T636 PolarHBondContact O-OG1 2.98Å; P633-T636 PolarHBondContact O-N 3.46Å; T636-M638 VanDerWaalsContact C-N 3.29Å; T636-M638 PolarHBondContact O-N 3.32Å; T636-I639 PolarHBondContact O-N 3.11Å; T636-K640 HydrophobicContact CG2-CD 4.48Å; T636-K640 WeakPolarHBondContact O-CB 3.37Å; T636-K640 WeakPolarHBondContact O-CG 3.41Å; T636-K640 PolarHBondContact O-N 3.39Å
637A68.2Low62.5Low60 Ų6067.5 Ų67.550%0.49637%0.37SS..Hα-helixtrans-62-38.6177.600000112P633 K641P633-A637 VanDerWaalsContact O-CB 3.28Å; P633-A637 WeakPolarHBondContact O-CB 3.41Å; P633-A637 PolarHBondContact O-N 3.43Å; A637-K641 WeakPolarHBondContact O-CB 3.47Å; A637-K641 PolarHBondContact O-N 2.85Å
638M77.8Confident60.5Low5 Ų571.7 Ų71.73%0.02539%0.388CS..Hα-helixtrans-67-45.9175.6179.9-77.1-64.200111.5L572 L574 V604 L626 A634 L635 T636 K640 K641 F642L572-M638 HydrophobicContact CD1-CE 4.13Å; L572-M638 HydrophobicContact CD1-SD 4.12Å; L572-M638 HydrophobicContact CD2-CE 3.64Å; L574-M638 HydrophobicContact CD2-CE 4.4Å; V604-M638 HydrophobicContact CG2-CG 4.4Å; V604-M638 HydrophobicContact CG2-SD 4Å; L626-M638 HydrophobicContact CD1-CE 4.05Å; L626-M638 HydrophobicContact CD1-CG 4.4Å; L626-M638 HydrophobicContact CD2-CB 4.2Å; A634-M638 WeakPolarHBondContact O-CB 3.41Å; A634-M638 PolarHBondContact O-N 2.89Å; A634-M638 VanDerWaalsContact O-N 3.09Å; L635-M638 HydrophobicContact CD1-CE 3.81Å; L635-M638 PolarHBondContact O-N 2.97Å; T636-M638 VanDerWaalsContact C-N 3.29Å; T636-M638 PolarHBondContact O-N 3.32Å; M638-K640 PolarHBondContact O-N 3.46Å; M638-K641 WeakPolarHBondContact O-CB 3.34Å; M638-K641 PolarHBondContact O-N 3.24Å; M638-F642 HydrophobicContact CG-CD2 4.12Å; M638-F642 HydrophobicContact CG-CE2 3.93Å; M638-F642 VanDerWaalsContact O-CD2 3.25Å; M638-F642 WeakPolarHBondContact O-CD2 3.38Å; M638-F642 PolarHBondContact O-N 2.99Å; M638-F642 HydrophobicContact SD-CD2 3.6Å; M638-F642 VanDerWaalsContact SD-CD2 3.6Å; M638-F642 HydrophobicContact SD-CE2 3.79Å
639I76.3Confident58.5Low0 Ų077.8 Ų77.80%042%0.417CS..Hα-helixtrans-61.3-45.3177.1-67.2166000110.6L523 P524 L526 L635 T636 K641 F642 W643L523-I639 HydrophobicContact CD2-CB 4.16Å; L523-I639 HydrophobicContact CD2-CG2 3.7Å; P524-I639 HydrophobicContact CG-CG2 4.33Å; L526-I639 HydrophobicContact CD1-CD1 4.4Å; L526-I639 HydrophobicContact CD1-CG1 4.14Å; L526-I639 HydrophobicContact CD1-CG2 3.95Å; L635-I639 HydrophobicContact CG-CD1 4.25Å; L635-I639 VanDerWaalsContact O-CG1 3.32Å; L635-I639 WeakPolarHBondContact O-CG1 3.16Å; L635-I639 PolarHBondContact O-N 3.44Å; T636-I639 PolarHBondContact O-N 3.11Å; I639-K641 VanDerWaalsContact C-N 3.34Å; I639-K641 PolarHBondContact O-N 3.47Å; I639-F642 PolarHBondContact O-N 2.85Å; I639-W643 PolarHBondContact O-N 3.1Å
640K72.5Confident57Low90 Ų9083.4 Ų83.439%0.39144%0.44SS..Hα-helixtrans-57.7-46.2174-75-170.5174.8-166.20111.1L523 T636 M638 F642 W643 D644L523-K640 HydrophobicContact CD2-CG 4.07Å; T636-K640 HydrophobicContact CG2-CD 4.48Å; T636-K640 WeakPolarHBondContact O-CB 3.37Å; T636-K640 WeakPolarHBondContact O-CG 3.41Å; T636-K640 PolarHBondContact O-N 3.39Å; M638-K640 PolarHBondContact O-N 3.46Å; K640-F642 PolarHBondContact O-N 3.34Å; K640-F642 VanDerWaalsContact O-N 3.12Å; K640-W643 PolarHBondContact O-N 3.03Å; K640-D644 HydrophobicContact CB-CB 4.5Å; K640-D644 WeakPolarHBondContact O-CA 3.4Å; K640-D644 WeakPolarHBondContact O-CB 3.37Å; K640-D644 PolarHBondContact O-N 2.95Å
641K75.9Confident55.2Low127 Ų12788.2 Ų88.255%0.55248%0.476SS*.Hα-helixtrans-55.9-33.7178.7179.3-176.9166.4-167.10113.8D624 A637 M638 I639D624-K641 IonicContact OD2-NZ 3.08Å; D624-K641 PolarHBondContact OD2-NZ 3.47Å; A637-K641 WeakPolarHBondContact O-CB 3.47Å; A637-K641 PolarHBondContact O-N 2.85Å; M638-K641 WeakPolarHBondContact O-CB 3.34Å; M638-K641 PolarHBondContact O-N 3.24Å; I639-K641 VanDerWaalsContact C-N 3.34Å; I639-K641 PolarHBondContact O-N 3.47Å
642F76.8Confident53.3Low64 Ų6491.7 Ų91.728%0.28149%0.494SS..Hα-helixtrans-92.9-22.8-178.9-73.1-71.4000114.5P602 V604 D623 D624 M638 I639 K640P602-F642 HydrophobicContact CB-CD1 4.1Å; P602-F642 HydrophobicContact CB-CD2 4.38Å; P602-F642 HydrophobicContact CB-CE1 4.07Å; P602-F642 HydrophobicContact CB-CE2 4.36Å; P602-F642 HydrophobicContact CB-CG 4.27Å; P602-F642 HydrophobicContact CB-CZ 4.2Å; P602-F642 HydrophobicContact CG-CB 4.44Å; P602-F642 HydrophobicContact CG-CD1 3.88Å; P602-F642 HydrophobicContact CG-CE1 4.28Å; P602-F642 HydrophobicContact CG-CG 4.1Å; V604-F642 HydrophobicContact CG2-CE2 4.29Å; D623-F642 HydrophobicContact CB-CE1 3.85Å; D623-F642 HydrophobicContact CB-CZ 3.68Å; D624-F642 HydrophobicContact CB-CE2 4.07Å; D624-F642 HydrophobicContact CB-CZ 4.08Å; M638-F642 HydrophobicContact CG-CD2 4.12Å; M638-F642 HydrophobicContact CG-CE2 3.93Å; M638-F642 VanDerWaalsContact O-CD2 3.25Å; M638-F642 WeakPolarHBondContact O-CD2 3.38Å; M638-F642 PolarHBondContact O-N 2.99Å; M638-F642 HydrophobicContact SD-CD2 3.6Å; M638-F642 VanDerWaalsContact SD-CD2 3.6Å; M638-F642 HydrophobicContact SD-CE2 3.79Å; I639-F642 PolarHBondContact O-N 2.85Å; K640-F642 PolarHBondContact O-N 3.34Å; K640-F642 VanDerWaalsContact O-N 3.12Å
643W70.9Confident51.7Low92 Ų9294.4 Ų94.435%0.34851%0.511SS..Hα-helixtrans-122.3-1.9-175.9-84.8-88.9000116P524 L526 D571 P602 I639 K640 T645P524-W643 HydrophobicContact CG-CB 4.07Å; P524-W643 HydrophobicContact CG-CG 4.08Å; L526-W643 HydrophobicContact CD1-CE3 4.17Å; L526-W643 HydrophobicContact CD1-CH2 4.33Å; L526-W643 HydrophobicContact CD1-CZ3 4.01Å; L526-W643 HydrophobicContact CD2-CD2 4.17Å; L526-W643 HydrophobicContact CD2-CE3 4.44Å; L526-W643 HydrophobicContact CD2-CH2 4.17Å; L526-W643 HydrophobicContact CD2-CZ2 3.83Å; L526-W643 HydrophobicContact CD2-CZ3 4.45Å; D571-W643 HydrophobicContact CB-CH2 4.45Å; D571-W643 HydrophobicContact CB-CZ2 4.14Å; D571-W643 WeakPolarHBondContact O-CH2 3.41Å; P602-W643 HydrophobicContact CG-CH2 3.89Å; P602-W643 HydrophobicContact CG-CZ3 4.22Å; I639-W643 PolarHBondContact O-N 3.1Å; K640-W643 PolarHBondContact O-N 3.03Å; W643-T645 PolarHBondContact O-N 2.86Å; W643-T645 VanDerWaalsContact O-N 3.12Å
644D56.2Low50.3Low105 Ų10594 Ų9456%0.56151%0.507SS*.  trans-78.698.8176.7-164.23.8000110.3K640 Q646K640-D644 HydrophobicContact CB-CB 4.5Å; K640-D644 WeakPolarHBondContact O-CA 3.4Å; K640-D644 WeakPolarHBondContact O-CB 3.37Å; K640-D644 PolarHBondContact O-N 2.95Å; D644-Q646 PolarHBondContact O-N 3.44Å
645T35.2Very low48.6Very low133 Ų13398.9 Ų98.982%0.81653%0.534SS*.  trans-87.383.2169.148.20000109.4W643W643-T645 PolarHBondContact O-N 2.86Å; W643-T645 VanDerWaalsContact O-N 3.12Å
646Q30.9Very low47Very low163 Ų163107.5 Ų107.576%0.76257%0.574SS**  trans-115.996.8153.1-78.2-157-12.700109.8D644 D648D644-Q646 PolarHBondContact O-N 3.44Å; Q646-D648 PolarHBondContact O-N 3.4Å
647D27.1Very low45.5Very low153 Ų153113 Ų11382%0.81860%0.597SS**  trans-56.3116.6134.5-78.5-42.1000106.7
648D27.6Very low44.3Very low143 Ų143113.9 Ų113.977%0.76559%0.594SS**  trans176.3109.4132.4-86-25.9000110.5Q646Q646-D648 PolarHBondContact O-N 3.4Å
649E24.4Very low43Very low168 Ų168117.4 Ų117.479%0.78562%0.619SS**  trans28.7125131.4-62.5-173.516400120.1
650E23.9Very low41.8Very low161 Ų161125 Ų12575%0.75265%0.652SS**  trans67.391.2139.8-64.6-173.6164.900118.2
651S25.6Very low41Very low123 Ų123121.8 Ų121.886%0.8664%0.641SS**  trans-128.469.6137.9-87.10000110.8V653S651-V653 PolarHBondContact O-N 3.24Å
652T23.4Very low40.4Very low125 Ų125121.2 Ų121.277%0.76764%0.64SS**  trans-69.794.6157.243.40000109.4
653V28.2Very low40.2Very low116 Ų116121.2 Ų121.270%0.70365%0.652SS**  trans-135.6107.9165-174.90000110.6S651S651-V653 PolarHBondContact O-N 3.24Å
654T30.6Very low40.7Very low88 Ų88118 Ų11854%0.5464%0.642SS.*  trans75.672.7155.360.20000119.4
655T31.7Very low42.1Very low132 Ų132113 Ų11381%0.8162%0.615SS**SBendtrans-84.7-2.7172.6-31.60000114.6
656E34.9Very low44.5Very low181 Ų181108.3 Ų108.385%0.84659%0.585SS**SBendtrans-94.6-14.3-175.2-76.5-171.9160.400116
657E38.6Very low47Very low143 Ų143101.5 Ų101.567%0.66855%0.554SS**SBendtrans-98.9-17.8174.3-81.7-175.3161.600114.6S659 S661E657-S659 VanDerWaalsContact C-N 3.32Å; E657-S659 PolarHBondContact O-N 3.39Å; E657-S661 PolarHBondContact O-OG 2.95Å
658N42.3Very low49.4Very low80 Ų8097.7 Ų97.743%0.42854%0.537SS..Hα-helixtrans-66.5-32.4179-102.715.9000112.8K660 S661 E662N658-K660 VanDerWaalsContact C-N 3.3Å; N658-K660 PolarHBondContact O-N 2.95Å; N658-S661 PolarHBondContact O-N 2.98Å; N658-E662 PolarHBondContact O-N 3.42Å; N658-E662 VanDerWaalsContact O-N 3.14Å
659S49.6Very low51.8Low79 Ų7993.1 Ų93.155%0.55251%0.512SS*.Hα-helixtrans-65.5-31-177.464.20000113.5E657E657-S659 VanDerWaalsContact C-N 3.32Å; E657-S659 PolarHBondContact O-N 3.39Å
660K51.6Low54.5Low158 Ų15885.2 Ų85.269%0.68748%0.475SS*.Hα-helixtrans-77.5-34.2175.5-72.1-172.2177.4-176.70112.4N658 L664N658-K660 VanDerWaalsContact C-N 3.3Å; N658-K660 PolarHBondContact O-N 2.95Å; K660-L664 PolarHBondContact O-N 3.42Å
661S55.7Low57.3Low23 Ų2382.7 Ų82.716%0.16146%0.463CS..Hα-helixtrans-71.2-38-178.2-57.40000112E657 N658 A663 L664 L665E657-S661 PolarHBondContact O-OG 2.95Å; N658-S661 PolarHBondContact O-N 2.98Å; S661-A663 VanDerWaalsContact C-N 3.28Å; S661-A663 PolarHBondContact O-N 3.29Å; S661-L664 PolarHBondContact O-N 3.26Å; S661-L665 WeakPolarHBondContact O-CB 3.25Å; S661-L665 PolarHBondContact O-N 3.45Å
662E62.6Low59.4Low115 Ų11582.5 Ų82.554%0.53745%0.449SS..Hα-helixtrans-63.4-31178.5-79.2176.3-174.200113.7N658 I667 R729N658-E662 PolarHBondContact O-N 3.42Å; N658-E662 VanDerWaalsContact O-N 3.14Å; E662-I667 HydrophobicContact CB-CD1 4.46Å; E662-I667 HydrophobicContact CG-CD1 3.67Å; E662-R729 PolarHBondContact O-NH1 3.34Å
663A72.7Confident61.5Low64 Ų6480.5 Ų80.553%0.52943%0.428SS..Hα-helixtrans-76.5-39.5178.100000112.3S661S661-A663 VanDerWaalsContact C-N 3.28Å; S661-A663 PolarHBondContact O-N 3.29Å
664L81.5Confident63.6Low24 Ų2476.8 Ų76.813%0.12640%0.404CS..Hα-helixtrans-84-34.3-174.5-67.7166.9000113K660 S661 R729 H730 V767K660-L664 PolarHBondContact O-N 3.42Å; S661-L664 PolarHBondContact O-N 3.26Å; L664-R729 PolarHBondContact O-N 2.81Å; L664-H730 HydrophobicContact CD2-CB 3.82Å; L664-H730 PolarHBondContact O-N 2.96Å; L664-H730 VanDerWaalsContact O-N 3.16Å; L664-V767 HydrophobicContact CD1-CB 4.5Å; L664-V767 HydrophobicContact CD1-CG1 4.18Å; L664-V767 HydrophobicContact CD1-CG2 4.13Å
665L85.9Confident65.4Low0 Ų080.6 Ų80.60%042%0.415CS..BIsolated β-bridgetrans-115.3148.4-169.9-54.8-176.8000112.4S661 I667 L670 L728 R729 V767 L768 W771S661-L665 WeakPolarHBondContact O-CB 3.25Å; S661-L665 PolarHBondContact O-N 3.45Å; L665-I667 VanDerWaalsContact C-N 3.35Å; L665-I667 HydrophobicContact CB-CG1 4.38Å; L665-I667 PolarHBondContact O-N 3.2Å; L665-I667 VanDerWaalsContact O-N 3.16Å; L665-L670 HydrophobicContact CB-CD1 3.87Å; L665-L670 HydrophobicContact CD1-CD1 4.28Å; L665-L670 HydrophobicContact CG-CD1 4.49Å; L665-L728 HydrophobicContact CD2-CD2 3.83Å; L665-R729 PolarHBondContact O-NH1 3.13Å; L665-V767 HydrophobicContact CD1-CG1 4.09Å; L665-V767 HydrophobicContact CG-CG1 4.27Å; L665-L768 HydrophobicContact CD1-CD1 4.17Å; L665-L768 HydrophobicContact CD2-CB 3.83Å; L665-L768 HydrophobicContact CD2-CD1 4.15Å; L665-L768 HydrophobicContact CD2-CG 4.46Å; L665-W771 HydrophobicContact CD1-CB 3.74Å; L665-W771 HydrophobicContact CD1-CG 3.88Å
666D85.5Confident66.8Low35 Ų3581.2 Ų81.219%0.18741%0.413CS..  trans-83.778.5167.4-158.1-41.4000110.7P668 M669 L670 G727 R729D666-P668 WeakPolarHBondContact OD1-CD 3.44Å; D666-M669 HydrophobicContact CB-CB 3.96Å; D666-M669 PolarHBondContact O-N 3.42Å; D666-M669 WeakPolarHBondContact OD1-CB 3.49Å; D666-M669 PolarHBondContact OD1-N 2.93Å; D666-L670 WeakPolarHBondContact O-CB 3.44Å; D666-L670 VanDerWaalsContact O-CG 3.27Å; D666-L670 WeakPolarHBondContact O-CG 3.49Å; D666-L670 PolarHBondContact O-N 3.42Å; D666-G727 PolarHBondContact N-O 3.1Å; D666-R729 HydrophobicContact CB-CB 4.43Å; D666-R729 IonicContact OD1-CZ 2.65Å; D666-R729 IonicContact OD1-NH2 2.68Å; D666-R729 PolarHBondContact OD1-NH2 3.02Å; D666-R729 IonicContact OD2-CZ 3.72Å; D666-R729 IonicContact OD2-NE 3.92Å; D666-R729 IonicContact OD2-NH2 2.69Å; D666-R729 PolarHBondContact OD2-NH2 3.19Å
667I83.5Confident68.2Low21 Ų2176.2 Ų76.211%0.10840%0.395CS..Hα-helixtrans-55.1-48.8-176.6-59.2-169.5000112.5E662 L665 M669 L670 E671 W771E662-I667 HydrophobicContact CB-CD1 4.46Å; E662-I667 HydrophobicContact CG-CD1 3.67Å; L665-I667 VanDerWaalsContact C-N 3.35Å; L665-I667 HydrophobicContact CB-CG1 4.38Å; L665-I667 PolarHBondContact O-N 3.2Å; L665-I667 VanDerWaalsContact O-N 3.16Å; I667-M669 VanDerWaalsContact C-N 3.33Å; I667-M669 PolarHBondContact O-N 3.24Å; I667-L670 PolarHBondContact O-N 2.9Å; I667-L670 VanDerWaalsContact O-N 3.15Å; I667-E671 HydrophobicContact CG2-CG 3.98Å; I667-E671 WeakPolarHBondContact CG2-OE1 3.25Å; I667-E671 WeakPolarHBondContact O-CB 3.5Å; I667-E671 WeakPolarHBondContact O-CG 3.35Å; I667-E671 PolarHBondContact O-N 2.93Å; I667-W771 HydrophobicContact CG2-CZ2 4.35Å
668P78.3Confident69.8Low72 Ų7270.4 Ų70.447%0.46837%0.373SS..Hα-helixtrans-58.8-41.8178.8-24.733.9000113.4D666 Q672D666-P668 WeakPolarHBondContact OD1-CD 3.44Å; P668-Q672 VanDerWaalsContact O-CG 3.3Å; P668-Q672 WeakPolarHBondContact O-CG 3.39Å; P668-Q672 PolarHBondContact O-N 2.88Å
669M78.4Confident71.5Confident48 Ų4869 Ų6924%0.23637%0.368CS..Hα-helixtrans-66.2-44.1176.4-169.4-142.58600111D666 I667 Q672 Y673D666-M669 HydrophobicContact CB-CB 3.96Å; D666-M669 PolarHBondContact O-N 3.42Å; D666-M669 WeakPolarHBondContact OD1-CB 3.49Å; D666-M669 PolarHBondContact OD1-N 2.93Å; I667-M669 VanDerWaalsContact C-N 3.33Å; I667-M669 PolarHBondContact O-N 3.24Å; M669-Q672 PolarHBondContact O-N 2.94Å; M669-Y673 HydrophobicContact CE-CD2 4.2Å; M669-Y673 VanDerWaalsContact O-CB 3.25Å; M669-Y673 WeakPolarHBondContact O-CB 3.41Å; M669-Y673 PolarHBondContact O-N 3.01Å
670L81.2Confident72.6Confident1 Ų172.8 Ų72.81%0.00538%0.375CS..Hα-helixtrans-67.4-38.2-178.2-72.9168.4000112.6L665 D666 I667 Y673 L674 I682 L768 W771L665-L670 HydrophobicContact CB-CD1 3.87Å; L665-L670 HydrophobicContact CD1-CD1 4.28Å; L665-L670 HydrophobicContact CG-CD1 4.49Å; D666-L670 WeakPolarHBondContact O-CB 3.44Å; D666-L670 VanDerWaalsContact O-CG 3.27Å; D666-L670 WeakPolarHBondContact O-CG 3.49Å; D666-L670 PolarHBondContact O-N 3.42Å; I667-L670 PolarHBondContact O-N 2.9Å; I667-L670 VanDerWaalsContact O-N 3.15Å; L670-Y673 PolarHBondContact O-N 3.04Å; L670-L674 WeakPolarHBondContact O-CB 3.28Å; L670-L674 PolarHBondContact O-N 3.46Å; L670-I682 HydrophobicContact CD2-CG2 4.29Å; L670-L768 HydrophobicContact CD1-CD1 3.52Å; L670-L768 HydrophobicContact CD2-CD1 3.8Å; L670-L768 HydrophobicContact CG-CD1 4.32Å; L670-W771 HydrophobicContact CB-CE3 4.39Å; L670-W771 HydrophobicContact CB-CH2 3.62Å; L670-W771 HydrophobicContact CB-CZ2 4.3Å; L670-W771 HydrophobicContact CB-CZ3 3.67Å; L670-W771 HydrophobicContact CD1-CE3 4.33Å; L670-W771 HydrophobicContact CD1-CZ3 4.41Å; L670-W771 HydrophobicContact CG-CZ3 4.49Å
671E81.1Confident73.6Confident108 Ų10869 Ų6951%0.50536%0.362SS..Hα-helixtrans-62.8-49.2174.4-74.3175.3165.200110.7I667 Y673 L674 E675 W771I667-E671 HydrophobicContact CG2-CG 3.98Å; I667-E671 WeakPolarHBondContact CG2-OE1 3.25Å; I667-E671 WeakPolarHBondContact O-CB 3.5Å; I667-E671 WeakPolarHBondContact O-CG 3.35Å; I667-E671 PolarHBondContact O-N 2.93Å; E671-Y673 VanDerWaalsContact C-N 3.31Å; E671-Y673 PolarHBondContact O-N 3.14Å; E671-L674 PolarHBondContact O-N 3.4Å; E671-E675 WeakPolarHBondContact O-CB 3.4Å; E671-E675 PolarHBondContact O-N 2.86Å; E671-W771 HydrophobicContact CG-CH2 4.12Å; E671-W771 HydrophobicContact CG-CZ2 3.94Å
672Q71.1Confident74.6Confident120 Ų12068.3 Ų68.356%0.56136%0.356SS*.Hα-helixtrans-60.6-41.1174.6-71.8175.23.400112.1P668 M669 E675 L676P668-Q672 VanDerWaalsContact O-CG 3.3Å; P668-Q672 WeakPolarHBondContact O-CG 3.39Å; P668-Q672 PolarHBondContact O-N 2.88Å; M669-Q672 PolarHBondContact O-N 2.94Å; Q672-E675 PolarHBondContact O-N 3.45Å; Q672-L676 VanDerWaalsContact O-CB 3.31Å; Q672-L676 WeakPolarHBondContact O-CB 3.47Å; Q672-L676 WeakPolarHBondContact O-CD1 3.29Å; Q672-L676 VanDerWaalsContact O-CG 3.26Å; Q672-L676 WeakPolarHBondContact O-CG 3.42Å; Q672-L676 PolarHBondContact O-N 3.35Å
673Y67.3Low75.4Confident83 Ų8366 Ų6633%0.32535%0.35SS..Hα-helixtrans-67.8-38.1-180-149.7-76.5000111.8M669 L670 E671 V677 L681 I682M669-Y673 HydrophobicContact CE-CD2 4.2Å; M669-Y673 VanDerWaalsContact O-CB 3.25Å; M669-Y673 WeakPolarHBondContact O-CB 3.41Å; M669-Y673 PolarHBondContact O-N 3.01Å; L670-Y673 PolarHBondContact O-N 3.04Å; E671-Y673 VanDerWaalsContact C-N 3.31Å; E671-Y673 PolarHBondContact O-N 3.14Å; Y673-V677 HydrophobicContact CD1-CB 4.32Å; Y673-V677 HydrophobicContact CD1-CG2 4.22Å; Y673-V677 HydrophobicContact CE1-CB 4.21Å; Y673-V677 HydrophobicContact CE1-CG2 4.13Å; Y673-V677 PolarHBondContact O-N 3.35Å; Y673-L681 HydrophobicContact CE1-CB 4.48Å; Y673-L681 HydrophobicContact CE1-CD2 4.04Å; Y673-I682 HydrophobicContact CD1-CD1 4.11Å; Y673-I682 HydrophobicContact CD1-CG1 3.55Å; Y673-I682 HydrophobicContact CE1-CG1 4.14Å; Y673-I682 HydrophobicContact CG-CG1 4.38Å
674L72.5Confident75.7Confident38 Ų3867.1 Ų67.120%0.19935%0.347CS..Hα-helixtrans-66.7-42.9176.8-171.573.5000110.8L670 E671 G678 P679 I682 W771 A775L670-L674 WeakPolarHBondContact O-CB 3.28Å; L670-L674 PolarHBondContact O-N 3.46Å; E671-L674 PolarHBondContact O-N 3.4Å; L674-G678 WeakPolarHBondContact O-CA 3.43Å; L674-G678 PolarHBondContact O-N 3.43Å; L674-P679 HydrophobicContact CD1-CB 3.66Å; L674-P679 HydrophobicContact CD1-CG 4.38Å; L674-I682 HydrophobicContact CB-CD1 4.07Å; L674-I682 HydrophobicContact CD1-CD1 3.97Å; L674-W771 HydrophobicContact CD2-CH2 4.47Å; L674-A775 HydrophobicContact CD2-CB 3.62Å
675E67.9Low75.5Confident168 Ų16867.4 Ų67.479%0.78536%0.356SS*.Hα-helixtrans-65.2-43177.6-170.3176.6-168.500111.9E671 Q672E671-E675 WeakPolarHBondContact O-CB 3.4Å; E671-E675 PolarHBondContact O-N 2.86Å; Q672-E675 PolarHBondContact O-N 3.45Å
676L61.3Low75.5Confident144 Ų14467.5 Ų67.575%0.75436%0.356SS*.Hα-helixtrans-79.7-36.6-175.7-73.4165000114.3Q672Q672-L676 VanDerWaalsContact O-CB 3.31Å; Q672-L676 WeakPolarHBondContact O-CB 3.47Å; Q672-L676 WeakPolarHBondContact O-CD1 3.29Å; Q672-L676 VanDerWaalsContact O-CG 3.26Å; Q672-L676 WeakPolarHBondContact O-CG 3.42Å; Q672-L676 PolarHBondContact O-N 3.35Å
677V64.8Low75.4Confident77 Ų7768.4 Ų68.447%0.46737%0.369SS..Hα-helixtrans-129.3-8.1-165.6-153.50000113.4Y673 L681Y673-V677 HydrophobicContact CD1-CB 4.32Å; Y673-V677 HydrophobicContact CD1-CG2 4.22Å; Y673-V677 HydrophobicContact CE1-CB 4.21Å; Y673-V677 HydrophobicContact CE1-CG2 4.13Å; Y673-V677 PolarHBondContact O-N 3.35Å; V677-L681 HydrophobicContact CB-CD2 4.31Å; V677-L681 HydrophobicContact CG1-CB 3.95Å; V677-L681 HydrophobicContact CG1-CD2 3.39Å; V677-L681 HydrophobicContact CG1-CG 4.19Å
678G71.4Confident75.3Confident21 Ų2171.9 Ų71.922%0.21639%0.391CS..  trans77.2167-179.900000114.5L674 K680L674-G678 WeakPolarHBondContact O-CA 3.43Å; L674-G678 PolarHBondContact O-N 3.43Å; G678-K680 VanDerWaalsContact C-N 3.3Å; G678-K680 PolarHBondContact O-N 3.09Å
679P77Confident75.7Confident50 Ų5069 Ų6933%0.32537%0.371SS..Hα-helixtrans-67.2-28.4-171.425.7-36.8000114L674 L681 I682 T683 V772 T776L674-P679 HydrophobicContact CD1-CB 3.66Å; L674-P679 HydrophobicContact CD1-CG 4.38Å; P679-L681 VanDerWaalsContact C-N 3.34Å; P679-L681 PolarHBondContact O-N 2.99Å; P679-I682 PolarHBondContact O-N 3.05Å; P679-T683 PolarHBondContact O-N 3.02Å; P679-T683 PolarHBondContact O-OG1 3.32Å; P679-V772 HydrophobicContact CB-CG1 3.98Å; P679-T776 HydrophobicContact CB-CG2 3.21Å; P679-T776 HydrophobicContact CG-CG2 3.43Å; P679-T776 VanDerWaalsContact CG-CG2 3.43Å
680K72.6Confident76.3Confident158 Ų15870 Ų7069%0.68738%0.375SS*.Hα-helixtrans-64.7-39.9-172.8-165.4173.6-178.2-179.50111.6G678 T683 D684G678-K680 VanDerWaalsContact C-N 3.3Å; G678-K680 PolarHBondContact O-N 3.09Å; K680-T683 PolarHBondContact O-N 3.38Å; K680-D684 PolarHBondContact O-N 3.32Å
681L72.6Confident76.6Confident80 Ų8078.4 Ų78.442%0.41941%0.411SS..Hα-helixtrans-70.5-36.8-180-153.180.2000112.1Y673 V677 P679 T683 D684 G685Y673-L681 HydrophobicContact CE1-CB 4.48Å; Y673-L681 HydrophobicContact CE1-CD2 4.04Å; V677-L681 HydrophobicContact CB-CD2 4.31Å; V677-L681 HydrophobicContact CG1-CB 3.95Å; V677-L681 HydrophobicContact CG1-CD2 3.39Å; V677-L681 HydrophobicContact CG1-CG 4.19Å; P679-L681 VanDerWaalsContact C-N 3.34Å; P679-L681 PolarHBondContact O-N 2.99Å; L681-T683 VanDerWaalsContact C-N 3.3Å; L681-T683 PolarHBondContact O-N 2.87Å; L681-D684 PolarHBondContact O-N 3.39Å; L681-G685 PolarHBondContact O-N 3.42Å
682I78.1Confident76.8Confident8 Ų877.5 Ų77.54%0.04141%0.408CS..Hα-helixtrans-60.6-45.3172.5-57.3175.9000109.4L670 Y673 L674 P679 G685 L686 V772L670-I682 HydrophobicContact CD2-CG2 4.29Å; Y673-I682 HydrophobicContact CD1-CD1 4.11Å; Y673-I682 HydrophobicContact CD1-CG1 3.55Å; Y673-I682 HydrophobicContact CE1-CG1 4.14Å; Y673-I682 HydrophobicContact CG-CG1 4.38Å; L674-I682 HydrophobicContact CB-CD1 4.07Å; L674-I682 HydrophobicContact CD1-CD1 3.97Å; P679-I682 PolarHBondContact O-N 3.05Å; I682-G685 PolarHBondContact O-N 3.23Å; I682-L686 VanDerWaalsContact O-CB 3.27Å; I682-L686 WeakPolarHBondContact O-CB 3.5Å; I682-L686 PolarHBondContact O-N 3.33Å; I682-V772 HydrophobicContact CB-CG2 4.46Å; I682-V772 HydrophobicContact CG2-CG2 3.73Å
683T79.3Confident77.7Confident67 Ų6771.8 Ų71.841%0.41138%0.381SS..Hα-helixtrans-64.9-42.1179.9-44.10000112P679 K680 L681 L686 A687P679-T683 PolarHBondContact O-N 3.02Å; P679-T683 PolarHBondContact O-OG1 3.32Å; K680-T683 PolarHBondContact O-N 3.38Å; L681-T683 VanDerWaalsContact C-N 3.3Å; L681-T683 PolarHBondContact O-N 2.87Å; T683-L686 PolarHBondContact O-N 3.5Å; T683-A687 WeakPolarHBondContact O-CB 3.48Å; T683-A687 PolarHBondContact O-N 3.46Å
684D77.8Confident78.8Confident87 Ų8771 Ų7147%0.46539%0.386SS..Hα-helixtrans-66.5-43.2176.9-72.9-19.6000111.6K680 L681 L686 A687 V688K680-D684 PolarHBondContact O-N 3.32Å; L681-D684 PolarHBondContact O-N 3.39Å; D684-L686 VanDerWaalsContact C-N 3.32Å; D684-L686 PolarHBondContact O-N 3Å; D684-A687 PolarHBondContact O-N 2.89Å; D684-V688 WeakPolarHBondContact O-CG2 3.46Å; D684-V688 PolarHBondContact O-N 3.36Å
685G77.8Confident79.6Confident30 Ų3071.1 Ų71.131%0.30940%0.397SS..Hα-helixtrans-60.1-42.9174.200000112L681 I682 V688 F689L681-G685 PolarHBondContact O-N 3.42Å; I682-G685 PolarHBondContact O-N 3.23Å; G685-V688 PolarHBondContact O-N 3.07Å; G685-F689 WeakPolarHBondContact O-CB 3.41Å; G685-F689 PolarHBondContact O-N 3.05Å
686L85.2Confident80.7Confident2 Ų265.4 Ų65.41%0.0137%0.369CS..Hα-helixtrans-65.1-39.5176.4-16958.3000112.4I682 T683 D684 V688 F689 E690 L728 V765 L768 K769I682-L686 VanDerWaalsContact O-CB 3.27Å; I682-L686 WeakPolarHBondContact O-CB 3.5Å; I682-L686 PolarHBondContact O-N 3.33Å; T683-L686 PolarHBondContact O-N 3.5Å; D684-L686 VanDerWaalsContact C-N 3.32Å; D684-L686 PolarHBondContact O-N 3Å; L686-V688 PolarHBondContact O-N 3.01Å; L686-F689 WeakPolarHBondContact O-CB 3.43Å; L686-F689 PolarHBondContact O-N 3.18Å; L686-E690 WeakPolarHBondContact O-CB 3.36Å; L686-E690 PolarHBondContact O-N 3.32Å; L686-L728 HydrophobicContact CD1-CD1 4.27Å; L686-V765 HydrophobicContact CD1-CB 4.37Å; L686-V765 HydrophobicContact CD1-CG1 4.01Å; L686-V765 HydrophobicContact CD1-CG2 3.99Å; L686-V765 HydrophobicContact CD2-CG1 4.28Å; L686-V765 HydrophobicContact CG-CG1 4.07Å; L686-L768 HydrophobicContact CD1-CD2 3.75Å; L686-L768 HydrophobicContact CD2-CB 4.15Å; L686-L768 HydrophobicContact CD2-CD2 3.92Å; L686-L768 HydrophobicContact CD2-CG 3.9Å; L686-L768 HydrophobicContact CG-CD2 4.38Å; L686-K769 HydrophobicContact CD2-CG 3.57Å
687A83.9Confident82.1Confident54 Ų5459 Ų5945%0.44634%0.336SS..Hα-helixtrans-64.9-37.7175.800000112.5T683 D684 K691T683-A687 WeakPolarHBondContact O-CB 3.48Å; T683-A687 PolarHBondContact O-N 3.46Å; D684-A687 PolarHBondContact O-N 2.89Å; A687-K691 WeakPolarHBondContact O-CB 3.41Å; A687-K691 PolarHBondContact O-N 2.95Å
688V81.2Confident83.3Confident94 Ų9458.8 Ų58.857%0.5734%0.337SS*.Hα-helixtrans-67-44.4173.2174.60000110.6D684 G685 L686 K691 M692D684-V688 WeakPolarHBondContact O-CG2 3.46Å; D684-V688 PolarHBondContact O-N 3.36Å; G685-V688 PolarHBondContact O-N 3.07Å; L686-V688 PolarHBondContact O-N 3.01Å; V688-K691 PolarHBondContact O-N 3.03Å; V688-M692 HydrophobicContact CG1-CG 4.39Å; V688-M692 VanDerWaalsContact O-CG 3.31Å; V688-M692 WeakPolarHBondContact O-CG 3.41Å; V688-M692 PolarHBondContact O-N 3.13Å; V688-M692 VanDerWaalsContact O-N 3.1Å
689F87.8Confident84.2Confident10 Ų1060.5 Ų60.54%0.04434%0.344CS..Hα-helixtrans-57.9-50.1176.4-178.2-91.2000111.5G685 L686 K691 M692 M693 A722 A723 V726 L728 L731 V765G685-F689 WeakPolarHBondContact O-CB 3.41Å; G685-F689 PolarHBondContact O-N 3.05Å; L686-F689 WeakPolarHBondContact O-CB 3.43Å; L686-F689 PolarHBondContact O-N 3.18Å; F689-K691 PolarHBondContact O-N 3.28Å; F689-M692 PolarHBondContact O-N 3.41Å; F689-M693 HydrophobicContact CE1-CB 4.34Å; F689-M693 HydrophobicContact CE1-CG 4.26Å; F689-M693 HydrophobicContact CE1-SD 4.24Å; F689-M693 HydrophobicContact CE2-SD 4.33Å; F689-M693 HydrophobicContact CZ-CG 4.37Å; F689-M693 HydrophobicContact CZ-SD 3.75Å; F689-M693 WeakPolarHBondContact O-CB 3.39Å; F689-M693 PolarHBondContact O-N 2.97Å; F689-A722 HydrophobicContact CD2-CB 3.9Å; F689-A722 HydrophobicContact CE2-CB 3.81Å; F689-A723 HydrophobicContact CE2-CB 4.14Å; F689-A723 HydrophobicContact CZ-CB 4.29Å; F689-V726 HydrophobicContact CB-CG1 4.34Å; F689-V726 HydrophobicContact CD2-CG2 4.1Å; F689-V726 HydrophobicContact CG-CG2 4.18Å; F689-L728 HydrophobicContact CD1-CD1 3.99Å; F689-L728 HydrophobicContact CE1-CD1 3.64Å; F689-L728 HydrophobicContact CZ-CD1 4.1Å; F689-L731 HydrophobicContact CE1-CD1 3.86Å; F689-L731 HydrophobicContact CZ-CD1 3.76Å; F689-V765 HydrophobicContact CD1-CG2 4.09Å; F689-V765 HydrophobicContact CE1-CG2 4.17Å
690E90.8Very high84.9Confident70 Ų7058.2 Ų58.233%0.32733%0.328SS..Hα-helixtrans-58.2-35.3178.5179.2169.6-168.300112.4L686 P694 W761 K769L686-E690 WeakPolarHBondContact O-CB 3.36Å; L686-E690 PolarHBondContact O-N 3.32Å; E690-P694 VanDerWaalsContact O-CD 3.28Å; E690-P694 WeakPolarHBondContact O-CD 3.33Å; E690-W761 HydrophobicContact CB-CZ3 4.47Å; E690-W761 HydrophobicContact CG-CH2 4.38Å; E690-W761 HydrophobicContact CG-CZ3 4.06Å; E690-K769 IonicContact OE1-NZ 2.78Å; E690-K769 PolarHBondContact OE1-NZ 3.09Å; E690-K769 WeakPolarHBondContact OE2-CE 3.47Å; E690-K769 IonicContact OE2-NZ 3.77Å; E690-K769 PolarHBondContact OE2-NZ 3.42Å
691K87.1Confident85.8Confident177 Ų17753.6 Ų53.677%0.7731%0.309SS*.Hα-helixtrans-72.7-33.3176.5-171.4178.3179.3-178.40113.2A687 V688 F689A687-K691 WeakPolarHBondContact O-CB 3.41Å; A687-K691 PolarHBondContact O-N 2.95Å; V688-K691 PolarHBondContact O-N 3.03Å; F689-K691 PolarHBondContact O-N 3.28Å
692M84.6Confident86.6Confident89 Ų8953.3 Ų53.344%0.43831%0.314SS..Hα-helixtrans-86.2-33.1-176-68.4-63.5-64.900112.8V688 F689 G695 Y696V688-M692 HydrophobicContact CG1-CG 4.39Å; V688-M692 VanDerWaalsContact O-CG 3.31Å; V688-M692 WeakPolarHBondContact O-CG 3.41Å; V688-M692 PolarHBondContact O-N 3.13Å; V688-M692 VanDerWaalsContact O-N 3.1Å; F689-M692 PolarHBondContact O-N 3.41Å; M692-G695 PolarHBondContact O-N 3.34Å; M692-Y696 HydrophobicContact CB-CD2 4.41Å; M692-Y696 HydrophobicContact CB-CE2 3.92Å; M692-Y696 HydrophobicContact CE-CE1 4.33Å; M692-Y696 PolarHBondContact O-N 3.46Å
693M90.6Very high87.2Confident0 Ų054.3 Ų54.30%032%0.319CS..Hα-helixtrans-55.4-42.2-171.7-164.261.1-162.600114.5F689 G695 Y696 V697 I719 M757 W761F689-M693 HydrophobicContact CE1-CB 4.34Å; F689-M693 HydrophobicContact CE1-CG 4.26Å; F689-M693 HydrophobicContact CE1-SD 4.24Å; F689-M693 HydrophobicContact CE2-SD 4.33Å; F689-M693 HydrophobicContact CZ-CG 4.37Å; F689-M693 HydrophobicContact CZ-SD 3.75Å; F689-M693 WeakPolarHBondContact O-CB 3.39Å; F689-M693 PolarHBondContact O-N 2.97Å; M693-G695 PolarHBondContact O-N 3.08Å; M693-Y696 PolarHBondContact O-N 3.21Å; M693-Y696 VanDerWaalsContact O-N 3.09Å; M693-Y696 HydrophobicContact SD-CD2 4.15Å; M693-V697 HydrophobicContact CE-CG2 3.72Å; M693-V697 HydrophobicContact CG-CG2 4.35Å; M693-V697 WeakPolarHBondContact O-CG2 3.43Å; M693-V697 PolarHBondContact O-N 3.49Å; M693-I719 HydrophobicContact CE-CD1 4.23Å; M693-I719 HydrophobicContact CE-CG1 4.37Å; M693-I719 HydrophobicContact CE-CG2 3.84Å; M693-I719 HydrophobicContact SD-CG2 4.25Å; M693-M757 HydrophobicContact CE-CG 3.65Å; M693-M757 HydrophobicContact CE-SD 3.57Å; M693-M757 VanDerWaalsContact CE-SD 3.57Å; M693-W761 HydrophobicContact CB-CD2 4.25Å; M693-W761 HydrophobicContact CB-CE3 4.01Å; M693-W761 HydrophobicContact CB-CH2 4.41Å; M693-W761 HydrophobicContact CB-CZ3 4.1Å; M693-W761 HydrophobicContact CG-CB 4.35Å; M693-W761 HydrophobicContact CG-CD2 3.73Å; M693-W761 HydrophobicContact CG-CE3 3.87Å; M693-W761 HydrophobicContact CG-CG 3.96Å; M693-W761 HydrophobicContact CG-CZ3 4.45Å
694P90.6Very high87.6Confident66 Ų6653.7 Ų53.743%0.42931%0.313SS..Hα-helixtrans-58.2-33.5176-25.735.1000113.8E690 S698 W761E690-P694 VanDerWaalsContact O-CD 3.28Å; E690-P694 WeakPolarHBondContact O-CD 3.33Å; P694-S698 WeakPolarHBondContact O-CB 3.43Å; P694-S698 PolarHBondContact O-N 3.46Å; P694-S698 VanDerWaalsContact O-N 3.09Å; P694-W761 HydrophobicContact CG-CH2 4.17Å; P694-W761 HydrophobicContact CG-CZ2 4.08Å
695G89Confident88Confident41 Ų4155.4 Ų55.442%0.42333%0.327SS..Hα-helixtrans-68.8-44.3175.500000111.9M692 M693 S698 V699M692-G695 PolarHBondContact O-N 3.34Å; M693-G695 PolarHBondContact O-N 3.08Å; G695-S698 PolarHBondContact O-N 3.06Å; G695-V699 WeakPolarHBondContact O-CG2 3.36Å; G695-V699 PolarHBondContact O-N 3.02Å; G695-V699 VanDerWaalsContact O-N 3.09Å
696Y90.8Very high88.3Confident49 Ų4957.3 Ų57.319%0.19234%0.34CS..Hα-helixtrans-62.2-44.9176.6-63.9-34.3000112.4M692 M693 S698 V699 L700 E715 K718 I719 A722M692-Y696 HydrophobicContact CB-CD2 4.41Å; M692-Y696 HydrophobicContact CB-CE2 3.92Å; M692-Y696 HydrophobicContact CE-CE1 4.33Å; M692-Y696 PolarHBondContact O-N 3.46Å; M693-Y696 PolarHBondContact O-N 3.21Å; M693-Y696 VanDerWaalsContact O-N 3.09Å; M693-Y696 HydrophobicContact SD-CD2 4.15Å; Y696-S698 PolarHBondContact O-N 3.42Å; Y696-V699 PolarHBondContact O-N 3.16Å; Y696-L700 PolarHBondContact O-N 3.11Å; Y696-E715 WeakPolarHBondContact CD1-OE1 3.42Å; Y696-K718 HydrophobicContact CE1-CD 4.48Å; Y696-I719 HydrophobicContact CD2-CG1 4.02Å; Y696-I719 HydrophobicContact CG-CG1 3.96Å; Y696-A722 HydrophobicContact CE2-CB 4.29Å
697V91.4Very high88.3Confident10 Ų1065.3 Ų65.36%0.06138%0.377CS..Hα-helixtrans-61-44.2176.1176.80000111.1M693 V699 L700 E701 K758M693-V697 HydrophobicContact CE-CG2 3.72Å; M693-V697 HydrophobicContact CG-CG2 4.35Å; M693-V697 WeakPolarHBondContact O-CG2 3.43Å; M693-V697 PolarHBondContact O-N 3.49Å; V697-V699 VanDerWaalsContact C-N 3.31Å; V697-V699 PolarHBondContact O-N 3.41Å; V697-L700 WeakPolarHBondContact O-CB 3.47Å; V697-L700 PolarHBondContact O-N 2.94Å; V697-E701 HydrophobicContact CG1-CG 4.4Å; V697-E701 PolarHBondContact O-N 3.45Å; V697-K758 HydrophobicContact CG1-CB 3.86Å; V697-K758 HydrophobicContact CG1-CD 3.99Å; V697-K758 HydrophobicContact CG1-CG 3.89Å
698S90.3Very high88.5Confident71 Ų7166.2 Ų66.250%0.49737%0.374SS..Hα-helixtrans-62.3-36.9178.7177.80000112.8P694 G695 Y696 S702P694-S698 WeakPolarHBondContact O-CB 3.43Å; P694-S698 PolarHBondContact O-N 3.46Å; P694-S698 VanDerWaalsContact O-N 3.09Å; G695-S698 PolarHBondContact O-N 3.06Å; Y696-S698 PolarHBondContact O-N 3.42Å; S698-S702 WeakPolarHBondContact O-CB 3.35Å; S698-S702 PolarHBondContact O-N 3.41Å
699V90.6Very high88.8Confident58 Ų5866.4 Ų66.435%0.35237%0.368SS..Hα-helixtrans-69.8-41.8175.6174.60000110.7G695 Y696 V697 S702 N703 E715G695-V699 WeakPolarHBondContact O-CG2 3.36Å; G695-V699 PolarHBondContact O-N 3.02Å; G695-V699 VanDerWaalsContact O-N 3.09Å; Y696-V699 PolarHBondContact O-N 3.16Å; V697-V699 VanDerWaalsContact C-N 3.31Å; V697-V699 PolarHBondContact O-N 3.41Å; V699-S702 PolarHBondContact O-N 3.01Å; V699-N703 WeakPolarHBondContact O-CB 3.44Å; V699-N703 PolarHBondContact O-N 3.33Å; V699-N703 PolarHBondContact O-ND2 2.93Å; V699-E715 HydrophobicContact CB-CG 4.03Å; V699-E715 HydrophobicContact CG1-CB 4.35Å; V699-E715 HydrophobicContact CG1-CG 3.74Å
700L89.9Confident88.7Confident1 Ų172.8 Ų72.81%0.00540%0.395CS..Hα-helixtrans-58.6-48.7173.7-84.6177.7000112.1Y696 V697 S702 N703 L704 I712 E715 I719 I738 I754 M757Y696-L700 PolarHBondContact O-N 3.11Å; V697-L700 WeakPolarHBondContact O-CB 3.47Å; V697-L700 PolarHBondContact O-N 2.94Å; L700-S702 VanDerWaalsContact C-N 3.33Å; L700-S702 PolarHBondContact O-N 3.49Å; L700-N703 PolarHBondContact O-N 3.49Å; L700-L704 WeakPolarHBondContact O-CB 3.28Å; L700-L704 PolarHBondContact O-N 2.96Å; L700-I712 HydrophobicContact CD2-CG2 4.21Å; L700-E715 HydrophobicContact CD2-CB 3.89Å; L700-E715 HydrophobicContact CD2-CG 4.33Å; L700-E715 HydrophobicContact CG-CB 4.17Å; L700-E715 HydrophobicContact CG-CG 4.04Å; L700-I719 HydrophobicContact CD1-CD1 3.24Å; L700-I719 HydrophobicContact CG-CD1 3.95Å; L700-I738 HydrophobicContact CD1-CD1 4.36Å; L700-I738 HydrophobicContact CD2-CG2 4Å; L700-I754 HydrophobicContact CB-CD1 4.47Å; L700-I754 HydrophobicContact CB-CG2 4.22Å; L700-I754 HydrophobicContact CD1-CG1 4.33Å; L700-I754 HydrophobicContact CD2-CD1 4.23Å; L700-I754 HydrophobicContact CD2-CG1 4.49Å; L700-M757 HydrophobicContact CD1-SD 4.06Å
701E91.8Very high88.5Confident62 Ų6269.8 Ų69.829%0.2938%0.384SS..Hα-helixtrans-61.3-41.4178-73.8-177.1125.500112V697 L704 T705 K758V697-E701 HydrophobicContact CG1-CG 4.4Å; V697-E701 PolarHBondContact O-N 3.45Å; E701-L704 PolarHBondContact O-N 3.15Å; E701-T705 WeakPolarHBondContact O-CB 2.73Å; E701-T705 PolarHBondContact O-N 3.23Å; E701-T705 PolarHBondContact O-OG1 3.3Å; E701-K758 WeakPolarHBondContact OE1-CD 3.33Å; E701-K758 VanDerWaalsContact OE1-CE 3.23Å; E701-K758 WeakPolarHBondContact OE1-CE 3.47Å; E701-K758 IonicContact OE1-NZ 2.81Å; E701-K758 PolarHBondContact OE1-NZ 2.88Å
702S90.3Very high88.6Confident73 Ų7361.6 Ų61.651%0.5135%0.348SS..Hα-helixtrans-62.1-45.3175.8-178.40000111.4S698 V699 L700 T705 A706S698-S702 WeakPolarHBondContact O-CB 3.35Å; S698-S702 PolarHBondContact O-N 3.41Å; V699-S702 PolarHBondContact O-N 3.01Å; L700-S702 VanDerWaalsContact C-N 3.33Å; L700-S702 PolarHBondContact O-N 3.49Å; S702-T705 PolarHBondContact O-N 2.95Å; S702-A706 WeakPolarHBondContact O-CB 3.33Å; S702-A706 PolarHBondContact O-N 3.05Å
703N89.6Confident88.8Confident29 Ų2959.2 Ų59.216%0.15534%0.338CS..Hα-helixtrans-69.9-35.9179.9-67.7-19.4000111.8V699 L700 A706 Q707 D708 G711 I712V699-N703 WeakPolarHBondContact O-CB 3.44Å; V699-N703 PolarHBondContact O-N 3.33Å; V699-N703 PolarHBondContact O-ND2 2.93Å; L700-N703 PolarHBondContact O-N 3.49Å; N703-A706 CarbonylContact O-C 3.42Å; N703-A706 PolarHBondContact O-N 3.39Å; N703-Q707 PolarHBondContact O-N 3.49Å; N703-D708 PolarHBondContact O-N 2.97Å; N703-G711 WeakPolarHBondContact ND2-CA 3.41Å; N703-G711 PolarHBondContact ND2-O 3.32Å; N703-G711 VanDerWaalsContact ND2-O 3.15Å; N703-I712 HydrophobicContact CB-CG1 3.79Å
704L88Confident88.6Confident54 Ų5463.9 Ų63.928%0.28336%0.36SS..Hα-helixtrans-62.5-46172.8-174.166.4000111.1L700 E701 A706 Q707 I712 V750 I754L700-L704 WeakPolarHBondContact O-CB 3.28Å; L700-L704 PolarHBondContact O-N 2.96Å; E701-L704 PolarHBondContact O-N 3.15Å; L704-A706 VanDerWaalsContact C-N 3.3Å; L704-A706 PolarHBondContact O-N 3.48Å; L704-Q707 PolarHBondContact O-N 2.98Å; L704-Q707 VanDerWaalsContact O-N 3.1Å; L704-I712 HydrophobicContact CD1-CD1 4.18Å; L704-V750 HydrophobicContact CD1-CG1 4.26Å; L704-I754 HydrophobicContact CB-CD1 4.23Å; L704-I754 HydrophobicContact CD1-CD1 4.14Å; L704-I754 HydrophobicContact CD2-CD1 4.08Å; L704-I754 HydrophobicContact CD2-CG2 4.45Å; L704-I754 HydrophobicContact CG-CD1 4.38Å
705T86.6Confident88.6Confident123 Ų12361.2 Ų61.276%0.75534%0.342SS*.Hα-helixtrans-62.8-38176.3-54.50000111.8E701 S702 Q707E701-T705 WeakPolarHBondContact O-CB 2.73Å; E701-T705 PolarHBondContact O-N 3.23Å; E701-T705 PolarHBondContact O-OG1 3.3Å; S702-T705 PolarHBondContact O-N 2.95Å; T705-Q707 VanDerWaalsContact C-N 3.26Å; T705-Q707 PolarHBondContact O-N 3.31Å
706A85.2Confident88.6Confident70 Ų7059.3 Ų59.358%0.57932%0.322SS*.THydrogen-bonded Turntrans-78.4-4.8177.100000114S702 N703 L704 D708S702-A706 WeakPolarHBondContact O-CB 3.33Å; S702-A706 PolarHBondContact O-N 3.05Å; N703-A706 CarbonylContact O-C 3.42Å; N703-A706 PolarHBondContact O-N 3.39Å; L704-A706 VanDerWaalsContact C-N 3.3Å; L704-A706 PolarHBondContact O-N 3.48Å; A706-D708 HydrophobicContact CB-CB 4.45Å; A706-D708 PolarHBondContact O-N 3.43Å
707Q84.6Confident88.2Confident170 Ų17062.5 Ų62.579%0.79434%0.339SS*.THydrogen-bonded Turntrans52.728.9-170.2-60.4-175.7-28.600113.4N703 L704 T705 K709N703-Q707 PolarHBondContact O-N 3.49Å; L704-Q707 PolarHBondContact O-N 2.98Å; L704-Q707 VanDerWaalsContact O-N 3.1Å; T705-Q707 VanDerWaalsContact C-N 3.26Å; T705-Q707 PolarHBondContact O-N 3.31Å; Q707-K709 PolarHBondContact O-N 3.1Å; Q707-K709 VanDerWaalsContact O-N 3.08Å
708D88.6Confident87.9Confident73 Ų7367 Ų6739%0.3936%0.357SS..  trans-8287.5178.5-176.61.8000110.4N703 A706 K710 G711 I712N703-D708 PolarHBondContact O-N 2.97Å; A706-D708 HydrophobicContact CB-CB 4.45Å; A706-D708 PolarHBondContact O-N 3.43Å; D708-K710 PolarHBondContact O-N 3.45Å; D708-K710 PolarHBondContact OD1-N 3.12Å; D708-K710 VanDerWaalsContact OD1-N 3.08Å; D708-G711 PolarHBondContact O-N 3.23Å; D708-G711 VanDerWaalsContact O-N 3.16Å; D708-G711 PolarHBondContact OD1-N 3.02Å; D708-I712 WeakPolarHBondContact O-CG1 3.31Å; D708-I712 PolarHBondContact O-N 3.47Å
709K87.2Confident87.8Confident99 Ų9963.6 Ų63.643%0.4333%0.333SS..Hα-helixtrans-53.7-38.1177.9-65.5-175.8179.9174.50112.6Q707 I712 V713 W746 E747Q707-K709 PolarHBondContact O-N 3.1Å; Q707-K709 VanDerWaalsContact O-N 3.08Å; K709-I712 PolarHBondContact O-N 3.27Å; K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.29Å; K709-V713 PolarHBondContact O-N 2.95Å; K709-V713 VanDerWaalsContact O-N 3.09Å; K709-W746 HydrophobicContact CD-CZ3 4.47Å; K709-W746 HydrophobicContact CG-CZ3 4.2Å; K709-E747 IonicContact NZ-OE1 2.86Å; K709-E747 PolarHBondContact NZ-OE1 3.33Å; K709-E747 IonicContact NZ-OE2 2.73Å; K709-E747 PolarHBondContact NZ-OE2 3.31Å
710K85.9Confident87.6Confident143 Ų14363.6 Ų63.662%0.62233%0.329SS*.Hα-helixtrans-69.9-44.5-178.4-168.3-173.7-179-143.70110.4D708 I712 V713 E714D708-K710 PolarHBondContact O-N 3.45Å; D708-K710 PolarHBondContact OD1-N 3.12Å; D708-K710 VanDerWaalsContact OD1-N 3.08Å; K710-I712 VanDerWaalsContact C-N 3.34Å; K710-I712 PolarHBondContact O-N 3.15Å; K710-V713 PolarHBondContact O-N 3.06Å; K710-E714 WeakPolarHBondContact CE-OE1 3.44Å; K710-E714 IonicContact NZ-OE1 2.57Å; K710-E714 PolarHBondContact NZ-OE1 3.28Å; K710-E714 WeakPolarHBondContact O-CG 3.47Å; K710-E714 PolarHBondContact O-N 3.47Å
711G85Confident86.9Confident8 Ų865.8 Ų65.88%0.08235%0.351CS..Hα-helixtrans-60.7-39.9174.900000113.1N703 D708 E715N703-G711 WeakPolarHBondContact ND2-CA 3.41Å; N703-G711 PolarHBondContact ND2-O 3.32Å; N703-G711 VanDerWaalsContact ND2-O 3.15Å; D708-G711 PolarHBondContact O-N 3.23Å; D708-G711 VanDerWaalsContact O-N 3.16Å; D708-G711 PolarHBondContact OD1-N 3.02Å; G711-E715 WeakPolarHBondContact O-CB 3.25Å; G711-E715 PolarHBondContact O-N 3.05Å
712I89.9Confident86.4Confident4 Ų463.8 Ų63.82%0.02135%0.345CS..Hα-helixtrans-62.5-46.8175.8-64.4166.3000110.8L700 N703 L704 D708 K709 K710 E715 G716 I738 W746 V750 I754L700-I712 HydrophobicContact CD2-CG2 4.21Å; N703-I712 HydrophobicContact CB-CG1 3.79Å; L704-I712 HydrophobicContact CD1-CD1 4.18Å; D708-I712 WeakPolarHBondContact O-CG1 3.31Å; D708-I712 PolarHBondContact O-N 3.47Å; K709-I712 PolarHBondContact O-N 3.27Å; K710-I712 VanDerWaalsContact C-N 3.34Å; K710-I712 PolarHBondContact O-N 3.15Å; I712-E715 PolarHBondContact O-N 3.1Å; I712-G716 PolarHBondContact O-N 3.27Å; I712-I738 HydrophobicContact CG2-CG2 3.59Å; I712-W746 HydrophobicContact CB-CH2 4.35Å; I712-W746 HydrophobicContact CD1-CH2 4.37Å; I712-W746 HydrophobicContact CG2-CH2 3.99Å; I712-W746 HydrophobicContact CG2-CZ2 3.86Å; I712-V750 HydrophobicContact CG2-CG2 3.89Å; I712-I754 HydrophobicContact CG2-CD1 4.32Å
713V89.3Confident86.2Confident39 Ų3960.3 Ų60.324%0.23632%0.321CS..Hα-helixtrans-65.1-44.8-179.4170.10000111.8K709 K710 E715 G716 H717 Q739 P741 W746K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.29Å; K709-V713 PolarHBondContact O-N 2.95Å; K709-V713 VanDerWaalsContact O-N 3.09Å; K710-V713 PolarHBondContact O-N 3.06Å; V713-E715 VanDerWaalsContact C-N 3.33Å; V713-E715 PolarHBondContact O-N 3.43Å; V713-G716 PolarHBondContact O-N 2.87Å; V713-H717 PolarHBondContact O-N 3.31Å; V713-Q739 HydrophobicContact CG1-CB 4.37Å; V713-P741 HydrophobicContact CG2-CB 4.41Å; V713-P741 HydrophobicContact CG2-CG 4.15Å; V713-W746 HydrophobicContact CG2-CZ2 4.31Å
714E87.2Confident85.6Confident99 Ų9959.7 Ų59.746%0.46332%0.322SS..Hα-helixtrans-62.6-39.6178.2-74.9-179.8-172.900111.9K710 K718K710-E714 WeakPolarHBondContact CE-OE1 3.44Å; K710-E714 IonicContact NZ-OE1 2.57Å; K710-E714 PolarHBondContact NZ-OE1 3.28Å; K710-E714 WeakPolarHBondContact O-CG 3.47Å; K710-E714 PolarHBondContact O-N 3.47Å; E714-K718 PolarHBondContact O-N 3.49Å
715E90.4Very high85.1Confident10 Ų1060.8 Ų60.85%0.04733%0.334CS..Hα-helixtrans-75.4-38.7179.1-154.664.7-165.500112.3Y696 V699 L700 G711 I712 V713 H717 K718 I719Y696-E715 WeakPolarHBondContact CD1-OE1 3.42Å; V699-E715 HydrophobicContact CB-CG 4.03Å; V699-E715 HydrophobicContact CG1-CB 4.35Å; V699-E715 HydrophobicContact CG1-CG 3.74Å; L700-E715 HydrophobicContact CD2-CB 3.89Å; L700-E715 HydrophobicContact CD2-CG 4.33Å; L700-E715 HydrophobicContact CG-CB 4.17Å; L700-E715 HydrophobicContact CG-CG 4.04Å; G711-E715 WeakPolarHBondContact O-CB 3.25Å; G711-E715 PolarHBondContact O-N 3.05Å; I712-E715 PolarHBondContact O-N 3.1Å; V713-E715 VanDerWaalsContact C-N 3.33Å; V713-E715 PolarHBondContact O-N 3.43Å; E715-H717 VanDerWaalsContact C-N 3.25Å; E715-H717 PolarHBondContact O-N 2.97Å; E715-K718 PolarHBondContact O-N 2.94Å; E715-K718 VanDerWaalsContact O-N 3.13Å; E715-K718 IonicContact OE1-NZ 3.4Å; E715-K718 IonicContact OE2-NZ 3.09Å; E715-K718 PolarHBondContact OE2-NZ 3.39Å; E715-I719 WeakPolarHBondContact O-CG1 3.4Å; E715-I719 PolarHBondContact O-N 3.33Å; E715-I719 VanDerWaalsContact O-N 3.09Å
716G87.6Confident84.9Confident0 Ų055.6 Ų55.60%030%0.302CS..Hα-helixtrans-57.5-38.2171.800000112.5I712 V713 I719 K720I712-G716 PolarHBondContact O-N 3.27Å; V713-G716 PolarHBondContact O-N 2.87Å; G716-I719 PolarHBondContact O-N 3.01Å; G716-K720 WeakPolarHBondContact O-CB 3.37Å; G716-K720 PolarHBondContact O-N 3.26Å
717H83.9Confident84.9Confident117 Ų11752.3 Ų52.354%0.54228%0.275SS..Hα-helixtrans-62.4-43.3175-172.669.4000112.9V713 E715 K720 G721 Q739V713-H717 PolarHBondContact O-N 3.31Å; E715-H717 VanDerWaalsContact C-N 3.25Å; E715-H717 PolarHBondContact O-N 2.97Å; H717-K720 PolarHBondContact O-N 3.14Å; H717-G721 PolarHBondContact O-N 3.49Å; H717-G721 VanDerWaalsContact O-N 3.07Å; H717-Q739 VanDerWaalsContact CA-OE1 3.3Å; H717-Q739 PolarHBondContact ND1-OE1 3.49Å
718K83.3Confident85.1Confident103 Ų10344.2 Ų44.245%0.44824%0.237SC..Hα-helixtrans-63.8-44.1178.1-68.1177.7-163.4155.10111.6Y696 E714 E715 G721 A722Y696-K718 HydrophobicContact CE1-CD 4.48Å; E714-K718 PolarHBondContact O-N 3.49Å; E715-K718 PolarHBondContact O-N 2.94Å; E715-K718 VanDerWaalsContact O-N 3.13Å; E715-K718 IonicContact OE1-NZ 3.4Å; E715-K718 IonicContact OE2-NZ 3.09Å; E715-K718 PolarHBondContact OE2-NZ 3.39Å; K718-G721 PolarHBondContact O-N 3.32Å; K718-A722 WeakPolarHBondContact O-CB 3.34Å; K718-A722 PolarHBondContact O-N 3.29Å
719I88.9Confident85.1Confident0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-66-44.9179.9-64.9163.6000110.6M693 Y696 L700 E715 G716 G721 A722 A723 M757M693-I719 HydrophobicContact CE-CD1 4.23Å; M693-I719 HydrophobicContact CE-CG1 4.37Å; M693-I719 HydrophobicContact CE-CG2 3.84Å; M693-I719 HydrophobicContact SD-CG2 4.25Å; Y696-I719 HydrophobicContact CD2-CG1 4.02Å; Y696-I719 HydrophobicContact CG-CG1 3.96Å; L700-I719 HydrophobicContact CD1-CD1 3.24Å; L700-I719 HydrophobicContact CG-CD1 3.95Å; E715-I719 WeakPolarHBondContact O-CG1 3.4Å; E715-I719 PolarHBondContact O-N 3.33Å; E715-I719 VanDerWaalsContact O-N 3.09Å; G716-I719 PolarHBondContact O-N 3.01Å; I719-G721 VanDerWaalsContact C-N 3.3Å; I719-G721 PolarHBondContact O-N 2.94Å; I719-A722 PolarHBondContact O-N 3.01Å; I719-A723 WeakPolarHBondContact O-CB 3.39Å; I719-A723 PolarHBondContact O-N 2.94Å; I719-M757 HydrophobicContact CD1-SD 3.84Å; I719-M757 HydrophobicContact CG2-CE 3.7Å; I719-M757 HydrophobicContact CG2-SD 3.75Å
720K86.2Confident85.3Confident59 Ų5940.3 Ų40.326%0.25722%0.215SC..Hα-helixtrans-54-48.4175.1-179.6-163.9166.5-174.10111.3G716 H717 G724 Q732 Q736G716-K720 WeakPolarHBondContact O-CB 3.37Å; G716-K720 PolarHBondContact O-N 3.26Å; H717-K720 PolarHBondContact O-N 3.14Å; K720-G724 PolarHBondContact O-N 3.28Å; K720-Q732 HydrophobicContact CG-CG 3.94Å; K720-Q736 HydrophobicContact CD-CB 4.3Å
721G75.6Confident85.5Confident46 Ų4633.5 Ų33.547%0.47419%0.186SC..Hα-helixtrans-62.1-45.6178.600000112.3H717 K718 I719 S725H717-G721 PolarHBondContact O-N 3.49Å; H717-G721 VanDerWaalsContact O-N 3.07Å; K718-G721 PolarHBondContact O-N 3.32Å; I719-G721 VanDerWaalsContact C-N 3.3Å; I719-G721 PolarHBondContact O-N 2.94Å; G721-S725 PolarHBondContact O-N 3.41Å; G721-S725 VanDerWaalsContact O-N 3.14Å
722A81.6Confident85.6Confident20 Ų2036 Ų3617%0.16520%0.195CC..Hα-helixtrans-63.5-48.7178.700000112.1F689 Y696 K718 I719 G724 S725F689-A722 HydrophobicContact CD2-CB 3.9Å; F689-A722 HydrophobicContact CE2-CB 3.81Å; Y696-A722 HydrophobicContact CE2-CB 4.29Å; K718-A722 WeakPolarHBondContact O-CB 3.34Å; K718-A722 PolarHBondContact O-N 3.29Å; I719-A722 PolarHBondContact O-N 3.01Å; A722-G724 PolarHBondContact O-N 3.4Å; A722-S725 PolarHBondContact O-N 2.8Å; A722-S725 PolarHBondContact O-OG 2.82Å
723A85.3Confident85.7Confident0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-63.7-42.2179.600000112.2F689 I719 S725 V726 G727 L728 L731 Q732F689-A723 HydrophobicContact CE2-CB 4.14Å; F689-A723 HydrophobicContact CZ-CB 4.29Å; I719-A723 WeakPolarHBondContact O-CB 3.39Å; I719-A723 PolarHBondContact O-N 2.94Å; A723-S725 VanDerWaalsContact C-N 3.27Å; A723-S725 PolarHBondContact O-N 2.67Å; A723-V726 WeakPolarHBondContact O-CG2 3.37Å; A723-V726 PolarHBondContact O-N 3.26Å; A723-G727 PolarHBondContact O-N 2.86Å; A723-L728 HydrophobicContact CB-CB 4.33Å; A723-L728 PolarHBondContact O-N 3.37Å; A723-L728 VanDerWaalsContact O-N 3.08Å; A723-L731 HydrophobicContact CB-CB 3.77Å; A723-Q732 HydrophobicContact CB-CB 4.21Å
724G77.7Confident85.7Confident17 Ų1739.3 Ų39.318%0.17521%0.208CC..Hα-helixtrans-62-33.1175.800000113.3K720 A722 V726 G727K720-G724 PolarHBondContact O-N 3.28Å; A722-G724 PolarHBondContact O-N 3.4Å; G724-V726 VanDerWaalsContact C-N 3.29Å; G724-V726 PolarHBondContact O-N 2.96Å; G724-G727 PolarHBondContact O-N 3.49Å
725S77.4Confident85.8Confident76 Ų7634.6 Ų34.653%0.53119%0.186SC..Hα-helixtrans-72.2-19.5179.571.30000114.6G721 A722 A723G721-S725 PolarHBondContact O-N 3.41Å; G721-S725 VanDerWaalsContact O-N 3.14Å; A722-S725 PolarHBondContact O-N 2.8Å; A722-S725 PolarHBondContact O-OG 2.82Å; A723-S725 VanDerWaalsContact C-N 3.27Å; A723-S725 PolarHBondContact O-N 2.67Å
726V83.3Confident85.7Confident14 Ų1437.5 Ų37.59%0.08520%0.2CC..THydrogen-bonded Turntrans-108.73.8178.9-66.30000113F689 A723 G724 L728 L768F689-V726 HydrophobicContact CB-CG1 4.34Å; F689-V726 HydrophobicContact CD2-CG2 4.1Å; F689-V726 HydrophobicContact CG-CG2 4.18Å; A723-V726 WeakPolarHBondContact O-CG2 3.37Å; A723-V726 PolarHBondContact O-N 3.26Å; G724-V726 VanDerWaalsContact C-N 3.29Å; G724-V726 PolarHBondContact O-N 2.96Å; V726-L728 HydrophobicContact CG2-CB 4.35Å; V726-L728 HydrophobicContact CG2-CD1 3.79Å; V726-L728 HydrophobicContact CG2-CG 3.85Å; V726-L768 VanDerWaalsContact O-CD2 3.22Å; V726-L768 WeakPolarHBondContact O-CD2 3.37Å
727G84.5Confident85.9Confident1 Ų140.7 Ų40.71%0.0122%0.215CC..THydrogen-bonded Turntrans79.416.8177.700000115.3D666 A723 G724 R729D666-G727 PolarHBondContact N-O 3.1Å; A723-G727 PolarHBondContact O-N 2.86Å; G724-G727 PolarHBondContact O-N 3.49Å; G727-R729 PolarHBondContact O-N 3.26Å
728L88.6Confident86.2Confident0 Ų035.1 Ų35.10%019%0.189CC..BIsolated β-bridgetrans-84.887.3175.3-64.9175000109.9L665 L686 F689 A723 V726 L731 Q732 D764 V765 L768L665-L728 HydrophobicContact CD2-CD2 3.83Å; L686-L728 HydrophobicContact CD1-CD1 4.27Å; F689-L728 HydrophobicContact CD1-CD1 3.99Å; F689-L728 HydrophobicContact CE1-CD1 3.64Å; F689-L728 HydrophobicContact CZ-CD1 4.1Å; A723-L728 HydrophobicContact CB-CB 4.33Å; A723-L728 PolarHBondContact O-N 3.37Å; A723-L728 VanDerWaalsContact O-N 3.08Å; V726-L728 HydrophobicContact CG2-CB 4.35Å; V726-L728 HydrophobicContact CG2-CD1 3.79Å; V726-L728 HydrophobicContact CG2-CG 3.85Å; L728-L731 HydrophobicContact CB-CB 4.35Å; L728-L731 HydrophobicContact CB-CD1 4.45Å; L728-L731 HydrophobicContact CD1-CD1 3.88Å; L728-Q732 WeakPolarHBondContact O-CB 3.47Å; L728-Q732 PolarHBondContact O-N 2.86Å; L728-D764 HydrophobicContact CD2-CB 4.12Å; L728-V765 HydrophobicContact CD1-CG2 4.05Å; L728-L768 HydrophobicContact CD2-CB 3.87Å; L728-L768 HydrophobicContact CD2-CD2 3.7Å; L728-L768 HydrophobicContact CD2-CG 4.42Å; L728-L768 HydrophobicContact CG-CD2 4.07Å
729R88Confident86.5Confident64 Ų6431.8 Ų31.824%0.24218%0.175CC..Hα-helixtrans-63.4-42.4-174.5177.5174.8-76.7150.8-8.4112.3E662 L664 L665 D666 G727 Q732 Q733E662-R729 PolarHBondContact O-NH1 3.34Å; L664-R729 PolarHBondContact O-N 2.81Å; L665-R729 PolarHBondContact O-NH1 3.13Å; D666-R729 HydrophobicContact CB-CB 4.43Å; D666-R729 IonicContact OD1-CZ 2.65Å; D666-R729 IonicContact OD1-NH2 2.68Å; D666-R729 PolarHBondContact OD1-NH2 3.02Å; D666-R729 IonicContact OD2-CZ 3.72Å; D666-R729 IonicContact OD2-NE 3.92Å; D666-R729 IonicContact OD2-NH2 2.69Å; D666-R729 PolarHBondContact OD2-NH2 3.19Å; G727-R729 PolarHBondContact O-N 3.26Å; R729-Q732 WeakPolarHBondContact O-CB 3.49Å; R729-Q732 PolarHBondContact O-N 2.91Å; R729-Q733 WeakPolarHBondContact O-CG 3.1Å; R729-Q733 PolarHBondContact O-N 3.39Å
730H91.4Very high86.4Confident26 Ų2633 Ų3312%0.1218%0.183CC..Hα-helixtrans-63-52.9-178.8174.7-123.9000112.3L664 Q732 Q733 L734 E756 E760 D764L664-H730 HydrophobicContact CD2-CB 3.82Å; L664-H730 PolarHBondContact O-N 2.96Å; L664-H730 VanDerWaalsContact O-N 3.16Å; H730-Q732 VanDerWaalsContact C-N 3.25Å; H730-Q732 PolarHBondContact O-N 3.5Å; H730-Q733 WeakPolarHBondContact O-CB 3.2Å; H730-Q733 PolarHBondContact O-N 2.91Å; H730-L734 PolarHBondContact O-N 3.45Å; H730-E756 IonicContact NE2-OE1 2.76Å; H730-E760 IonicContact CE1-OE2 3.07Å; H730-E760 PolarHBondContact CE1-OE2 3.03Å; H730-E760 IonicContact ND1-OE2 3.43Å; H730-E760 IonicContact NE2-OE2 2.73Å; H730-D764 WeakPolarHBondContact CB-OD2 3.44Å; H730-D764 IonicContact CG-OD2 2.79Å; H730-D764 IonicContact ND1-OD1 2.9Å; H730-D764 IonicContact ND1-OD2 3.47Å; H730-D764 PolarHBondContact ND1-OD2 3.32Å
731L91.3Very high86.3Confident0 Ų033.3 Ų33.30%019%0.191CC..Hα-helixtrans-59.9-33.3174-63.5-174.8000113.6F689 A723 L728 Q733 L734 G735 M757 W761 D764F689-L731 HydrophobicContact CE1-CD1 3.86Å; F689-L731 HydrophobicContact CZ-CD1 3.76Å; A723-L731 HydrophobicContact CB-CB 3.77Å; L728-L731 HydrophobicContact CB-CB 4.35Å; L728-L731 HydrophobicContact CB-CD1 4.45Å; L728-L731 HydrophobicContact CD1-CD1 3.88Å; L731-Q733 VanDerWaalsContact C-N 3.34Å; L731-L734 HydrophobicContact CD2-CD1 4.32Å; L731-G735 PolarHBondContact O-N 3.39Å; L731-M757 HydrophobicContact CD2-CG 4.28Å; L731-W761 HydrophobicContact CD1-CB 3.75Å; L731-W761 HydrophobicContact CD2-CB 3.92Å; L731-W761 HydrophobicContact CG-CB 4.48Å; L731-D764 HydrophobicContact CD1-CB 4.44Å; L731-D764 HydrophobicContact CG-CB 4.37Å; L731-D764 WeakPolarHBondContact CG-OD2 3.41Å
732Q87.2Confident86.6Confident62 Ų6238.7 Ų38.729%0.2921%0.209SC..Hα-helixtrans-64.5-39.5174.5-173.2-171.14200111.6K720 A723 L728 R729 H730 G735 Q736K720-Q732 HydrophobicContact CG-CG 3.94Å; A723-Q732 HydrophobicContact CB-CB 4.21Å; L728-Q732 WeakPolarHBondContact O-CB 3.47Å; L728-Q732 PolarHBondContact O-N 2.86Å; R729-Q732 WeakPolarHBondContact O-CB 3.49Å; R729-Q732 PolarHBondContact O-N 2.91Å; H730-Q732 VanDerWaalsContact C-N 3.25Å; H730-Q732 PolarHBondContact O-N 3.5Å; Q732-G735 PolarHBondContact O-N 3.1Å; Q732-Q736 WeakPolarHBondContact O-CB 3.2Å; Q732-Q736 PolarHBondContact O-N 3.22Å
733Q90.2Very high86.6Confident106 Ų10641 Ų4150%0.49522%0.219SC..Hα-helixtrans-67.6-44.1176.5-71.6176.66.800111.8R729 H730 L731 G735 Q736 Q737R729-Q733 WeakPolarHBondContact O-CG 3.1Å; R729-Q733 PolarHBondContact O-N 3.39Å; H730-Q733 WeakPolarHBondContact O-CB 3.2Å; H730-Q733 PolarHBondContact O-N 2.91Å; L731-Q733 VanDerWaalsContact C-N 3.34Å; Q733-G735 VanDerWaalsContact C-N 3.34Å; Q733-G735 PolarHBondContact O-N 2.91Å; Q733-Q736 WeakPolarHBondContact O-CB 3.36Å; Q733-Q736 PolarHBondContact O-N 2.98Å; Q733-Q736 VanDerWaalsContact O-N 3.14Å; Q733-Q737 WeakPolarHBondContact O-CG 3.35Å; Q733-Q737 PolarHBondContact O-N 2.84Å
734L90.5Very high86.2Confident5 Ų546.4 Ų46.43%0.02625%0.254CS..Hα-helixtrans-60-44.9173.4-71.2171.4000111.2H730 L731 Q736 Q737 I738 W753 E756 M757H730-L734 PolarHBondContact O-N 3.45Å; L731-L734 HydrophobicContact CD2-CD1 4.32Å; L734-Q736 VanDerWaalsContact C-N 3.29Å; L734-Q736 PolarHBondContact O-N 2.81Å; L734-Q737 PolarHBondContact O-N 2.96Å; L734-Q737 VanDerWaalsContact O-N 3.14Å; L734-I738 VanDerWaalsContact O-CG1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.06Å; L734-I738 PolarHBondContact O-N 3.04Å; L734-W753 HydrophobicContact CD2-CB 4.12Å; L734-W753 HydrophobicContact CD2-CG 4.36Å; L734-E756 HydrophobicContact CD1-CG 4.12Å; L734-E756 HydrophobicContact CD2-CG 4.34Å; L734-M757 HydrophobicContact CB-CE 3.56Å; L734-M757 HydrophobicContact CD1-CB 4.11Å
735G88.1Confident86.1Confident0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-59.1-39.4174.400000112.7L731 Q732 Q733 Q739L731-G735 PolarHBondContact O-N 3.39Å; Q732-G735 PolarHBondContact O-N 3.1Å; Q733-G735 VanDerWaalsContact C-N 3.34Å; Q733-G735 PolarHBondContact O-N 2.91Å; G735-Q739 WeakPolarHBondContact O-CG 3.11Å; G735-Q739 PolarHBondContact O-N 3.21Å
736Q89.7Confident86.6Confident72 Ų7244.9 Ų44.934%0.33624%0.242SC..Hα-helixtrans-63-42.3174.317763.346.100112.1K720 Q732 Q733 L734 Q739 S740K720-Q736 HydrophobicContact CD-CB 4.3Å; Q732-Q736 WeakPolarHBondContact O-CB 3.2Å; Q732-Q736 PolarHBondContact O-N 3.22Å; Q733-Q736 WeakPolarHBondContact O-CB 3.36Å; Q733-Q736 PolarHBondContact O-N 2.98Å; Q733-Q736 VanDerWaalsContact O-N 3.14Å; L734-Q736 VanDerWaalsContact C-N 3.29Å; L734-Q736 PolarHBondContact O-N 2.81Å; Q736-Q739 VanDerWaalsContact O-CG 3.28Å; Q736-Q739 WeakPolarHBondContact O-CG 3.46Å; Q736-S740 PolarHBondContact NE2-OG 3.31Å; Q736-S740 WeakPolarHBondContact O-CB 3.44Å; Q736-S740 PolarHBondContact O-N 3.37Å; Q736-S740 PolarHBondContact O-OG 3.04Å
737Q90.5Very high86.6Confident67 Ų6750.4 Ų50.431%0.31327%0.267SS..Hα-helixtrans-66.8-46.5177.8-70.2172.6-15.800111.1Q733 L734 Q739 S740 L743 W746 W753Q733-Q737 WeakPolarHBondContact O-CG 3.35Å; Q733-Q737 PolarHBondContact O-N 2.84Å; L734-Q737 PolarHBondContact O-N 2.96Å; L734-Q737 VanDerWaalsContact O-N 3.14Å; Q737-Q739 VanDerWaalsContact C-N 3.31Å; Q737-Q739 PolarHBondContact O-N 3.14Å; Q737-S740 PolarHBondContact O-N 3.45Å; Q737-S740 VanDerWaalsContact O-N 3.09Å; Q737-L743 HydrophobicContact CB-CD1 4.3Å; Q737-L743 HydrophobicContact CG-CD1 4.35Å; Q737-W746 PolarHBondContact O-NE1 2.58Å; Q737-W753 HydrophobicContact CB-CD2 3.82Å; Q737-W753 HydrophobicContact CB-CE3 3.62Å; Q737-W753 HydrophobicContact CB-CH2 3.96Å; Q737-W753 HydrophobicContact CB-CZ2 4.12Å; Q737-W753 HydrophobicContact CB-CZ3 3.71Å; Q737-W753 HydrophobicContact CG-CZ2 4.41Å; Q737-W753 WeakPolarHBondContact O-CZ3 3.4Å
738I90.9Very high86.4Confident0 Ų056.4 Ų56.40%030%0.299CS..Hα-helixtrans-58.9-40.1177.9-66.5165.1000111.3L700 I712 L734 S740 W746 V750 W753 I754 M757L700-I738 HydrophobicContact CD1-CD1 4.36Å; L700-I738 HydrophobicContact CD2-CG2 4Å; I712-I738 HydrophobicContact CG2-CG2 3.59Å; L734-I738 VanDerWaalsContact O-CG1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.06Å; L734-I738 PolarHBondContact O-N 3.04Å; I738-S740 VanDerWaalsContact C-N 3.29Å; I738-S740 PolarHBondContact O-N 2.84Å; I738-W746 WeakPolarHBondContact O-CZ2 3.37Å; I738-W746 PolarHBondContact O-NE1 3.01Å; I738-W746 VanDerWaalsContact O-NE1 3.09Å; I738-V750 HydrophobicContact CG1-CG2 4.45Å; I738-V750 HydrophobicContact CG2-CG2 4.33Å; I738-W753 HydrophobicContact CD1-CB 4.31Å; I738-W753 HydrophobicContact CG1-CB 3.96Å; I738-W753 HydrophobicContact CG1-CE3 4.36Å; I738-I754 HydrophobicContact CD1-CG1 3.9Å; I738-I754 HydrophobicContact CG1-CG1 4.24Å; I738-M757 HydrophobicContact CD1-CE 3.83Å; I738-M757 HydrophobicContact CD1-SD 4.11Å
739Q89.1Confident86.4Confident32 Ų3258.9 Ų58.915%0.1531%0.312CS..THydrogen-bonded Turntrans-79.9-0.4179.773.2164.419.600115.2V713 H717 G735 Q736 Q737 P741V713-Q739 HydrophobicContact CG1-CB 4.37Å; H717-Q739 VanDerWaalsContact CA-OE1 3.3Å; H717-Q739 PolarHBondContact ND1-OE1 3.49Å; G735-Q739 WeakPolarHBondContact O-CG 3.11Å; G735-Q739 PolarHBondContact O-N 3.21Å; Q736-Q739 VanDerWaalsContact O-CG 3.28Å; Q736-Q739 WeakPolarHBondContact O-CG 3.46Å; Q737-Q739 VanDerWaalsContact C-N 3.31Å; Q737-Q739 PolarHBondContact O-N 3.14Å; Q739-P741 VanDerWaalsContact C-CD 3.49Å; Q739-P741 WeakPolarHBondContact O-CD 3.28Å
740S87.8Confident86.4Confident25 Ų2556.1 Ų56.118%0.17530%0.302CS..  trans-110.676.5-170.6-60.50000111.9Q736 Q737 I738 D742 L743Q736-S740 PolarHBondContact NE2-OG 3.31Å; Q736-S740 WeakPolarHBondContact O-CB 3.44Å; Q736-S740 PolarHBondContact O-N 3.37Å; Q736-S740 PolarHBondContact O-OG 3.04Å; Q737-S740 PolarHBondContact O-N 3.45Å; Q737-S740 VanDerWaalsContact O-N 3.09Å; I738-S740 VanDerWaalsContact C-N 3.29Å; I738-S740 PolarHBondContact O-N 2.84Å; S740-D742 PolarHBondContact O-N 3.36Å; S740-L743 WeakPolarHBondContact O-CB 3.38Å; S740-L743 PolarHBondContact O-N 2.9Å; S740-L743 VanDerWaalsContact O-N 3.08Å
741P83.5Confident86.2Confident66 Ų6656.1 Ų56.143%0.42931%0.309SS..THydrogen-bonded Turntrans-63.7-15.1-17528.6-36.8000113.9V713 Q739 L743 W746V713-P741 HydrophobicContact CG2-CB 4.41Å; V713-P741 HydrophobicContact CG2-CG 4.15Å; Q739-P741 VanDerWaalsContact C-CD 3.49Å; Q739-P741 WeakPolarHBondContact O-CD 3.28Å; P741-L743 VanDerWaalsContact C-N 3.28Å; P741-L743 PolarHBondContact O-N 2.9Å; P741-W746 HydrophobicContact CB-CD2 4.41Å
742D82.7Confident86.1Confident160 Ų16062.5 Ų62.586%0.85634%0.339SS*.THydrogen-bonded Turntrans-80-5.7178.2-56.8-43.1000113.4S740S740-D742 PolarHBondContact O-N 3.36Å
743L80.4Confident86.2Confident69 Ų6961 Ų6136%0.36133%0.331SS..SBendtrans-65.7142.5177.5-76.1171.5000111.5Q737 S740 P741 A745 W746 W753Q737-L743 HydrophobicContact CB-CD1 4.3Å; Q737-L743 HydrophobicContact CG-CD1 4.35Å; S740-L743 WeakPolarHBondContact O-CB 3.38Å; S740-L743 PolarHBondContact O-N 2.9Å; S740-L743 VanDerWaalsContact O-N 3.08Å; P741-L743 VanDerWaalsContact C-N 3.28Å; P741-L743 PolarHBondContact O-N 2.9Å; L743-A745 PolarHBondContact O-N 3.5Å; L743-W746 HydrophobicContact CB-CB 4.2Å; L743-W746 WeakPolarHBondContact O-CB 3.42Å; L743-W746 PolarHBondContact O-N 2.88Å; L743-W746 VanDerWaalsContact O-N 3.11Å; L743-W753 HydrophobicContact CD1-CH2 3.97Å; L743-W753 HydrophobicContact CD1-CZ3 4.45Å
744P76.5Confident86.2Confident113 Ų11356.1 Ų56.173%0.73431%0.307SS*.THydrogen-bonded Turntrans-57.5130.3174.7-20.831.4000111W746P744-W746 PolarHBondContact O-N 2.84Å
745A77.2Confident86.1Confident51 Ų5159.3 Ų59.342%0.42132%0.322SS..THydrogen-bonded Turntrans57.527-177.900000114.4L743 E747 D748 N749L743-A745 PolarHBondContact O-N 3.5Å; A745-E747 PolarHBondContact O-N 3.4Å; A745-D748 HydrophobicContact CB-CB 4.3Å; A745-D748 PolarHBondContact O-N 3Å; A745-N749 PolarHBondContact O-N 3.3Å; A745-N749 PolarHBondContact O-ND2 3.34Å
746W88Confident86.2Confident9 Ų962.6 Ų62.63%0.03434%0.338CS..Hα-helixtrans-53.2-42.6176.5-178.393.5000112.4K709 I712 V713 Q737 I738 P741 L743 P744 D748 N749 V750 W753K709-W746 HydrophobicContact CD-CZ3 4.47Å; K709-W746 HydrophobicContact CG-CZ3 4.2Å; I712-W746 HydrophobicContact CB-CH2 4.35Å; I712-W746 HydrophobicContact CD1-CH2 4.37Å; I712-W746 HydrophobicContact CG2-CH2 3.99Å; I712-W746 HydrophobicContact CG2-CZ2 3.86Å; V713-W746 HydrophobicContact CG2-CZ2 4.31Å; Q737-W746 PolarHBondContact O-NE1 2.58Å; I738-W746 WeakPolarHBondContact O-CZ2 3.37Å; I738-W746 PolarHBondContact O-NE1 3.01Å; I738-W746 VanDerWaalsContact O-NE1 3.09Å; P741-W746 HydrophobicContact CB-CD2 4.41Å; L743-W746 HydrophobicContact CB-CB 4.2Å; L743-W746 WeakPolarHBondContact O-CB 3.42Å; L743-W746 PolarHBondContact O-N 2.88Å; L743-W746 VanDerWaalsContact O-N 3.11Å; P744-W746 PolarHBondContact O-N 2.84Å; W746-D748 PolarHBondContact O-N 2.88Å; W746-N749 PolarHBondContact O-N 3.46Å; W746-V750 HydrophobicContact CD2-CB 4.17Å; W746-V750 HydrophobicContact CE3-CB 4.47Å; W746-V750 HydrophobicContact CE3-CG1 4.33Å; W746-V750 HydrophobicContact CH2-CB 4.37Å; W746-V750 HydrophobicContact CH2-CG1 4.23Å; W746-V750 HydrophobicContact CH2-CG2 4.07Å; W746-V750 HydrophobicContact CZ2-CB 4.07Å; W746-V750 HydrophobicContact CZ2-CG1 4.44Å; W746-V750 HydrophobicContact CZ2-CG2 3.58Å; W746-V750 HydrophobicContact CZ3-CG1 4.18Å; W746-V750 VanDerWaalsContact O-CB 3.25Å; W746-V750 WeakPolarHBondContact O-CB 3.45Å; W746-V750 WeakPolarHBondContact O-CG1 3.47Å; W746-V750 PolarHBondContact O-N 3.29Å; W746-W753 AromaticContact CD1-CZ3 3.48Å; W746-W753 VanDerWaalsContact CD1-CZ3 3.48Å; W746-W753 HydrophobicContact CG-CZ3 4.27Å; W746-W753 AromaticContact NE1-CZ3 3.85Å
747E81.7Confident86.2Confident131 Ų13159.2 Ų59.261%0.61232%0.322SS*.Hα-helixtrans-63.2-29.9179.2-66.1-177-153.400113.1K709 A745K709-E747 IonicContact NZ-OE1 2.86Å; K709-E747 PolarHBondContact NZ-OE1 3.33Å; K709-E747 IonicContact NZ-OE2 2.73Å; K709-E747 PolarHBondContact NZ-OE2 3.31Å; A745-E747 PolarHBondContact O-N 3.4Å
748D81.8Confident86.2Confident127 Ų12759.4 Ų59.468%0.67932%0.322SS*.Hα-helixtrans-83.3-34.2178.8-57.3-46.6000111.4A745 W746A745-D748 HydrophobicContact CB-CB 4.3Å; A745-D748 PolarHBondContact O-N 3Å; W746-D748 PolarHBondContact O-N 2.88Å
749N87.1Confident86Confident52 Ų5266.5 Ų66.528%0.27836%0.355SS..Hα-helixtrans-94.5-24-172.7-61.4-31.7000114.4A745 W746 G751 E752 W753A745-N749 PolarHBondContact O-N 3.3Å; A745-N749 PolarHBondContact O-ND2 3.34Å; W746-N749 PolarHBondContact O-N 3.46Å; N749-G751 PolarHBondContact O-N 2.88Å; N749-G751 VanDerWaalsContact O-N 3.16Å; N749-E752 WeakPolarHBondContact O-CB 3.46Å; N749-E752 PolarHBondContact O-N 3.35Å; N749-W753 HydrophobicContact CB-CD2 4.34Å; N749-W753 HydrophobicContact CB-CH2 3.89Å; N749-W753 HydrophobicContact CB-CZ2 3.55Å; N749-W753 HydrophobicContact CB-CZ3 4.41Å; N749-W753 PolarHBondContact O-N 3.45Å; N749-W753 VanDerWaalsContact O-N 3.15Å
750V88.6Confident86Confident6 Ų668.6 Ų68.64%0.03636%0.364CS..Hα-helixtrans-60-32-173.167.60000112.9L704 I712 I738 W746 W753 I754L704-V750 HydrophobicContact CD1-CG1 4.26Å; I712-V750 HydrophobicContact CG2-CG2 3.89Å; I738-V750 HydrophobicContact CG1-CG2 4.45Å; I738-V750 HydrophobicContact CG2-CG2 4.33Å; W746-V750 HydrophobicContact CD2-CB 4.17Å; W746-V750 HydrophobicContact CE3-CB 4.47Å; W746-V750 HydrophobicContact CE3-CG1 4.33Å; W746-V750 HydrophobicContact CH2-CB 4.37Å; W746-V750 HydrophobicContact CH2-CG1 4.23Å; W746-V750 HydrophobicContact CH2-CG2 4.07Å; W746-V750 HydrophobicContact CZ2-CB 4.07Å; W746-V750 HydrophobicContact CZ2-CG1 4.44Å; W746-V750 HydrophobicContact CZ2-CG2 3.58Å; W746-V750 HydrophobicContact CZ3-CG1 4.18Å; W746-V750 VanDerWaalsContact O-CB 3.25Å; W746-V750 WeakPolarHBondContact O-CB 3.45Å; W746-V750 WeakPolarHBondContact O-CG1 3.47Å; W746-V750 PolarHBondContact O-N 3.29Å; V750-W753 HydrophobicContact CB-CE3 4.28Å; V750-W753 HydrophobicContact CG2-CE3 4.47Å; V750-I754 HydrophobicContact CG2-CD1 3.99Å; V750-I754 HydrophobicContact CG2-CG1 4.46Å; V750-I754 VanDerWaalsContact O-CG1 3.25Å; V750-I754 WeakPolarHBondContact O-CG1 3.29Å; V750-I754 PolarHBondContact O-N 2.94Å; V750-I754 VanDerWaalsContact O-N 3.11Å
751G86.6Confident86.3Confident25 Ų2568.1 Ų68.126%0.25836%0.359SS..Hα-helixtrans-63.7-40.3174.200000112.7N749 I754 E755N749-G751 PolarHBondContact O-N 2.88Å; N749-G751 VanDerWaalsContact O-N 3.16Å; G751-I754 PolarHBondContact O-N 3.28Å; G751-E755 PolarHBondContact O-N 3.41Å; G751-E755 VanDerWaalsContact O-N 3.13Å
752E89.1Confident86.6Confident134 Ų13473.1 Ų73.163%0.62637%0.369SS*.Hα-helixtrans-67.4-44.4177.8-64.5-171.5163.800111.1N749 I754 E755 E756N749-E752 WeakPolarHBondContact O-CB 3.46Å; N749-E752 PolarHBondContact O-N 3.35Å; E752-I754 VanDerWaalsContact C-N 3.3Å; E752-I754 PolarHBondContact O-N 3.48Å; E752-E755 PolarHBondContact O-N 3.15Å; E752-E756 WeakPolarHBondContact O-CB 3.47Å; E752-E756 PolarHBondContact O-N 3.03Å
753W90.5Very high86.9Confident32 Ų3270.7 Ų70.712%0.12135%0.353CS..Hα-helixtrans-63.5-34.2177.8-57.6-32.4000113.2L734 Q737 I738 L743 W746 N749 V750 M757L734-W753 HydrophobicContact CD2-CB 4.12Å; L734-W753 HydrophobicContact CD2-CG 4.36Å; Q737-W753 HydrophobicContact CB-CD2 3.82Å; Q737-W753 HydrophobicContact CB-CE3 3.62Å; Q737-W753 HydrophobicContact CB-CH2 3.96Å; Q737-W753 HydrophobicContact CB-CZ2 4.12Å; Q737-W753 HydrophobicContact CB-CZ3 3.71Å; Q737-W753 HydrophobicContact CG-CZ2 4.41Å; Q737-W753 WeakPolarHBondContact O-CZ3 3.4Å; I738-W753 HydrophobicContact CD1-CB 4.31Å; I738-W753 HydrophobicContact CG1-CB 3.96Å; I738-W753 HydrophobicContact CG1-CE3 4.36Å; L743-W753 HydrophobicContact CD1-CH2 3.97Å; L743-W753 HydrophobicContact CD1-CZ3 4.45Å; W746-W753 AromaticContact CD1-CZ3 3.48Å; W746-W753 VanDerWaalsContact CD1-CZ3 3.48Å; W746-W753 HydrophobicContact CG-CZ3 4.27Å; W746-W753 AromaticContact NE1-CZ3 3.85Å; N749-W753 HydrophobicContact CB-CD2 4.34Å; N749-W753 HydrophobicContact CB-CH2 3.89Å; N749-W753 HydrophobicContact CB-CZ2 3.55Å; N749-W753 HydrophobicContact CB-CZ3 4.41Å; N749-W753 PolarHBondContact O-N 3.45Å; N749-W753 VanDerWaalsContact O-N 3.15Å; V750-W753 HydrophobicContact CB-CE3 4.28Å; V750-W753 HydrophobicContact CG2-CE3 4.47Å; W753-M757 VanDerWaalsContact O-CB 3.23Å; W753-M757 WeakPolarHBondContact O-CB 3.22Å; W753-M757 PolarHBondContact O-N 3.33Å
754I90.3Very high87.3Confident2 Ų267.4 Ų67.41%0.0134%0.335CS..Hα-helixtrans-69.6-41176.1-69.8169.5000110.6L700 L704 I712 I738 V750 G751 E752 K758L700-I754 HydrophobicContact CB-CD1 4.47Å; L700-I754 HydrophobicContact CB-CG2 4.22Å; L700-I754 HydrophobicContact CD1-CG1 4.33Å; L700-I754 HydrophobicContact CD2-CD1 4.23Å; L700-I754 HydrophobicContact CD2-CG1 4.49Å; L704-I754 HydrophobicContact CB-CD1 4.23Å; L704-I754 HydrophobicContact CD1-CD1 4.14Å; L704-I754 HydrophobicContact CD2-CD1 4.08Å; L704-I754 HydrophobicContact CD2-CG2 4.45Å; L704-I754 HydrophobicContact CG-CD1 4.38Å; I712-I754 HydrophobicContact CG2-CD1 4.32Å; I738-I754 HydrophobicContact CD1-CG1 3.9Å; I738-I754 HydrophobicContact CG1-CG1 4.24Å; V750-I754 HydrophobicContact CG2-CD1 3.99Å; V750-I754 HydrophobicContact CG2-CG1 4.46Å; V750-I754 VanDerWaalsContact O-CG1 3.25Å; V750-I754 WeakPolarHBondContact O-CG1 3.29Å; V750-I754 PolarHBondContact O-N 2.94Å; V750-I754 VanDerWaalsContact O-N 3.11Å; G751-I754 PolarHBondContact O-N 3.28Å; E752-I754 VanDerWaalsContact C-N 3.3Å; E752-I754 PolarHBondContact O-N 3.48Å; I754-K758 WeakPolarHBondContact O-CB 3.4Å; I754-K758 PolarHBondContact O-N 2.88Å
755E88.6Confident87.9Confident73 Ų7362.1 Ų62.134%0.34130%0.301SS..Hα-helixtrans-68.2-42.4174.9-74-61.2158.700111.9G751 E752 M757 K758 E759G751-E755 PolarHBondContact O-N 3.41Å; G751-E755 VanDerWaalsContact O-N 3.13Å; E752-E755 PolarHBondContact O-N 3.15Å; E755-M757 PolarHBondContact O-N 3.44Å; E755-K758 WeakPolarHBondContact O-CB 3.45Å; E755-K758 PolarHBondContact O-N 3.28Å; E755-K758 VanDerWaalsContact O-N 3.1Å; E755-K758 IonicContact OE1-NZ 2.9Å; E755-K758 PolarHBondContact OE1-NZ 3.26Å; E755-K758 IonicContact OE2-NZ 3.51Å; E755-K758 PolarHBondContact OE2-NZ 3Å; E755-E759 WeakPolarHBondContact O-CG 3.25Å; E755-E759 PolarHBondContact O-N 3.44Å
756E90.2Very high88.3Confident69 Ų6964.8 Ų64.832%0.32231%0.305SS..Hα-helixtrans-57.6-48.2174.1-174.8176.2-175.500111H730 L734 E752 K758 E759 E760H730-E756 IonicContact NE2-OE1 2.76Å; L734-E756 HydrophobicContact CD1-CG 4.12Å; L734-E756 HydrophobicContact CD2-CG 4.34Å; E752-E756 WeakPolarHBondContact O-CB 3.47Å; E752-E756 PolarHBondContact O-N 3.03Å; E756-K758 VanDerWaalsContact C-N 3.26Å; E756-K758 PolarHBondContact O-N 3.28Å; E756-E759 PolarHBondContact O-N 3.5Å; E756-E760 HydrophobicContact CG-CG 4.45Å; E756-E760 WeakPolarHBondContact O-CB 3.27Å; E756-E760 WeakPolarHBondContact O-CG 3.35Å; E756-E760 PolarHBondContact O-N 3.02Å
757M89.7Confident88.3Confident0 Ų065.6 Ų65.60%031%0.31CS..Hα-helixtrans-58.5-38.7175.6179.2172.8-75.400112.3M693 L700 I719 L731 L734 I738 W753 E755 W761M693-M757 HydrophobicContact CE-CG 3.65Å; M693-M757 HydrophobicContact CE-SD 3.57Å; M693-M757 VanDerWaalsContact CE-SD 3.57Å; L700-M757 HydrophobicContact CD1-SD 4.06Å; I719-M757 HydrophobicContact CD1-SD 3.84Å; I719-M757 HydrophobicContact CG2-CE 3.7Å; I719-M757 HydrophobicContact CG2-SD 3.75Å; L731-M757 HydrophobicContact CD2-CG 4.28Å; L734-M757 HydrophobicContact CB-CE 3.56Å; L734-M757 HydrophobicContact CD1-CB 4.11Å; I738-M757 HydrophobicContact CD1-CE 3.83Å; I738-M757 HydrophobicContact CD1-SD 4.11Å; W753-M757 VanDerWaalsContact O-CB 3.23Å; W753-M757 WeakPolarHBondContact O-CB 3.22Å; W753-M757 PolarHBondContact O-N 3.33Å; E755-M757 PolarHBondContact O-N 3.44Å; M757-W761 VanDerWaalsContact O-CB 3.28Å; M757-W761 WeakPolarHBondContact O-CB 3.29Å; M757-W761 PolarHBondContact O-N 3.5Å
758K89.5Confident88.5Confident71 Ų7159.3 Ų59.331%0.30928%0.281SS..Hα-helixtrans-72.1-36.7-179.4170.3177.2154.5-154.50112.8V697 E701 I754 E755 E756 W761V697-K758 HydrophobicContact CG1-CB 3.86Å; V697-K758 HydrophobicContact CG1-CD 3.99Å; V697-K758 HydrophobicContact CG1-CG 3.89Å; E701-K758 WeakPolarHBondContact OE1-CD 3.33Å; E701-K758 VanDerWaalsContact OE1-CE 3.23Å; E701-K758 WeakPolarHBondContact OE1-CE 3.47Å; E701-K758 IonicContact OE1-NZ 2.81Å; E701-K758 PolarHBondContact OE1-NZ 2.88Å; I754-K758 WeakPolarHBondContact O-CB 3.4Å; I754-K758 PolarHBondContact O-N 2.88Å; E755-K758 WeakPolarHBondContact O-CB 3.45Å; E755-K758 PolarHBondContact O-N 3.28Å; E755-K758 VanDerWaalsContact O-N 3.1Å; E755-K758 IonicContact OE1-NZ 2.9Å; E755-K758 PolarHBondContact OE1-NZ 3.26Å; E755-K758 IonicContact OE2-NZ 3.51Å; E755-K758 PolarHBondContact OE2-NZ 3Å; E756-K758 VanDerWaalsContact C-N 3.26Å; E756-K758 PolarHBondContact O-N 3.28Å; K758-W761 PolarHBondContact O-NE1 3.42Å
759E87.5Confident88.7Confident150 Ų15056.5 Ų56.570%0.70126%0.263SS*.Hα-helixtrans-78.3-39.3178.8-68.9-169.7166.900112E755 E756E755-E759 WeakPolarHBondContact O-CG 3.25Å; E755-E759 PolarHBondContact O-N 3.44Å; E756-E759 PolarHBondContact O-N 3.5Å
760E89.6Confident88.4Confident75 Ų7557 Ų5735%0.3527%0.274SS..Hα-helixtrans-96.7-21.4-167.7-60.4-158.8170.100115.1H730 E756 R762 H763 D764H730-E760 IonicContact CE1-OE2 3.07Å; H730-E760 PolarHBondContact CE1-OE2 3.03Å; H730-E760 IonicContact ND1-OE2 3.43Å; H730-E760 IonicContact NE2-OE2 2.73Å; E756-E760 HydrophobicContact CG-CG 4.45Å; E756-E760 WeakPolarHBondContact O-CB 3.27Å; E756-E760 WeakPolarHBondContact O-CG 3.35Å; E756-E760 PolarHBondContact O-N 3.02Å; E760-R762 PolarHBondContact O-N 2.89Å; E760-H763 WeakPolarHBondContact O-CA 3.05Å; E760-H763 VanDerWaalsContact O-CB 3.27Å; E760-H763 WeakPolarHBondContact O-CB 3.25Å; E760-H763 PolarHBondContact O-N 3.36Å; E760-D764 PolarHBondContact O-N 3.48Å; E760-D764 VanDerWaalsContact O-N 3.12Å
761W92.3Very high88.3Confident15 Ų1558.3 Ų58.36%0.05728%0.279CS..Hα-helixtrans-56.3-31.3-17474.1-86.7000114.4E690 M693 P694 L731 M757 K758 V765E690-W761 HydrophobicContact CB-CZ3 4.47Å; E690-W761 HydrophobicContact CG-CH2 4.38Å; E690-W761 HydrophobicContact CG-CZ3 4.06Å; M693-W761 HydrophobicContact CB-CD2 4.25Å; M693-W761 HydrophobicContact CB-CE3 4.01Å; M693-W761 HydrophobicContact CB-CH2 4.41Å; M693-W761 HydrophobicContact CB-CZ3 4.1Å; M693-W761 HydrophobicContact CG-CB 4.35Å; M693-W761 HydrophobicContact CG-CD2 3.73Å; M693-W761 HydrophobicContact CG-CE3 3.87Å; M693-W761 HydrophobicContact CG-CG 3.96Å; M693-W761 HydrophobicContact CG-CZ3 4.45Å; P694-W761 HydrophobicContact CG-CH2 4.17Å; P694-W761 HydrophobicContact CG-CZ2 4.08Å; L731-W761 HydrophobicContact CD1-CB 3.75Å; L731-W761 HydrophobicContact CD2-CB 3.92Å; L731-W761 HydrophobicContact CG-CB 4.48Å; M757-W761 VanDerWaalsContact O-CB 3.28Å; M757-W761 WeakPolarHBondContact O-CB 3.29Å; M757-W761 PolarHBondContact O-N 3.5Å; K758-W761 PolarHBondContact O-NE1 3.42Å; W761-V765 HydrophobicContact CE3-CG2 4.12Å; W761-V765 HydrophobicContact CZ3-CG2 4.48Å; W761-V765 VanDerWaalsContact O-CG2 3.24Å; W761-V765 WeakPolarHBondContact O-CG2 3.37Å; W761-V765 PolarHBondContact O-N 3.47Å; W761-V765 VanDerWaalsContact O-N 3.13Å
762R89.9Confident88.1Confident172 Ų17257.5 Ų57.565%0.64927%0.269SS*.Hα-helixtrans-69.3-36.5175.8-67.3-174.6179.3174.22.2111.8E760 E766E760-R762 PolarHBondContact O-N 2.89Å; R762-E766 WeakPolarHBondContact O-CG 3.35Å; R762-E766 PolarHBondContact O-N 2.94Å; R762-E766 VanDerWaalsContact O-N 3.09Å
763H89.7Confident87.5Confident109 Ų10953.7 Ų53.751%0.50526%0.26SS..Hα-helixtrans-64.9-48.3176.4-176.657.2000110.4E760 V765 E766 V767E760-H763 WeakPolarHBondContact O-CA 3.05Å; E760-H763 VanDerWaalsContact O-CB 3.27Å; E760-H763 WeakPolarHBondContact O-CB 3.25Å; E760-H763 PolarHBondContact O-N 3.36Å; H763-V765 VanDerWaalsContact C-N 3.31Å; H763-V765 PolarHBondContact O-N 2.93Å; H763-E766 PolarHBondContact O-N 2.92Å; H763-E766 VanDerWaalsContact O-N 3.09Å; H763-V767 WeakPolarHBondContact O-CG2 3.09Å; H763-V767 PolarHBondContact O-N 3.37Å
764D89.1Confident86.8Confident0 Ų057.4 Ų57.40%028%0.277CS..Hα-helixtrans-59.6-42.1179.4-67.119.3000112L728 H730 L731 E760 V767 L768L728-D764 HydrophobicContact CD2-CB 4.12Å; H730-D764 WeakPolarHBondContact CB-OD2 3.44Å; H730-D764 IonicContact CG-OD2 2.79Å; H730-D764 IonicContact ND1-OD1 2.9Å; H730-D764 IonicContact ND1-OD2 3.47Å; H730-D764 PolarHBondContact ND1-OD2 3.32Å; L731-D764 HydrophobicContact CD1-CB 4.44Å; L731-D764 HydrophobicContact CG-CB 4.37Å; L731-D764 WeakPolarHBondContact CG-OD2 3.41Å; E760-D764 PolarHBondContact O-N 3.48Å; E760-D764 VanDerWaalsContact O-N 3.12Å; D764-V767 PolarHBondContact O-N 2.98Å; D764-L768 PolarHBondContact O-N 3.28Å
765V89.1Confident85.9Confident2 Ų258.3 Ų58.31%0.01228%0.284CS..Hα-helixtrans-62.1-43.3174.9167.90000111.5L686 F689 L728 W761 H763 L768 K769L686-V765 HydrophobicContact CD1-CB 4.37Å; L686-V765 HydrophobicContact CD1-CG1 4.01Å; L686-V765 HydrophobicContact CD1-CG2 3.99Å; L686-V765 HydrophobicContact CD2-CG1 4.28Å; L686-V765 HydrophobicContact CG-CG1 4.07Å; F689-V765 HydrophobicContact CD1-CG2 4.09Å; F689-V765 HydrophobicContact CE1-CG2 4.17Å; L728-V765 HydrophobicContact CD1-CG2 4.05Å; W761-V765 HydrophobicContact CE3-CG2 4.12Å; W761-V765 HydrophobicContact CZ3-CG2 4.48Å; W761-V765 VanDerWaalsContact O-CG2 3.24Å; W761-V765 WeakPolarHBondContact O-CG2 3.37Å; W761-V765 PolarHBondContact O-N 3.47Å; W761-V765 VanDerWaalsContact O-N 3.13Å; H763-V765 VanDerWaalsContact C-N 3.31Å; H763-V765 PolarHBondContact O-N 2.93Å; V765-L768 PolarHBondContact O-N 3.5Å; V765-K769 HydrophobicContact CG1-CD 4.42Å; V765-K769 WeakPolarHBondContact O-CG 3.35Å; V765-K769 PolarHBondContact O-N 3.39Å
766E85.6Confident84.6Confident106 Ų10658 Ų5850%0.49529%0.288SS..Hα-helixtrans-67.1-37.8177.3-73.4-64.5127.400112.3R762 H763 K769 A770R762-E766 WeakPolarHBondContact O-CG 3.35Å; R762-E766 PolarHBondContact O-N 2.94Å; R762-E766 VanDerWaalsContact O-N 3.09Å; H763-E766 PolarHBondContact O-N 2.92Å; H763-E766 VanDerWaalsContact O-N 3.09Å; E766-K769 PolarHBondContact O-N 3.48Å; E766-K769 IonicContact OE1-NZ 2.85Å; E766-K769 PolarHBondContact OE1-NZ 3.31Å; E766-K769 VanDerWaalsContact OE1-NZ 3.08Å; E766-A770 WeakPolarHBondContact O-CB 3.47Å; E766-A770 PolarHBondContact O-N 2.68Å
767V87.9Confident82.7Confident26 Ų2664 Ų6416%0.15831%0.313CS..Hα-helixtrans-62.5-43.6174.4172.20000110.6L664 L665 H763 D764 A770 W771L664-V767 HydrophobicContact CD1-CB 4.5Å; L664-V767 HydrophobicContact CD1-CG1 4.18Å; L664-V767 HydrophobicContact CD1-CG2 4.13Å; L665-V767 HydrophobicContact CD1-CG1 4.09Å; L665-V767 HydrophobicContact CG-CG1 4.27Å; H763-V767 WeakPolarHBondContact O-CG2 3.09Å; H763-V767 PolarHBondContact O-N 3.37Å; D764-V767 PolarHBondContact O-N 2.98Å; V767-A770 PolarHBondContact O-N 2.92Å; V767-W771 WeakPolarHBondContact O-CB 3.22Å; V767-W771 PolarHBondContact O-N 2.86Å
768L86.7Confident80.5Confident0 Ų075.1 Ų75.10%036%0.361CS..Hα-helixtrans-65.1-42.6175.3-178.756.1000112.2L665 L670 L686 V726 L728 D764 V765 A770 W771 V772L665-L768 HydrophobicContact CD1-CD1 4.17Å; L665-L768 HydrophobicContact CD2-CB 3.83Å; L665-L768 HydrophobicContact CD2-CD1 4.15Å; L665-L768 HydrophobicContact CD2-CG 4.46Å; L670-L768 HydrophobicContact CD1-CD1 3.52Å; L670-L768 HydrophobicContact CD2-CD1 3.8Å; L670-L768 HydrophobicContact CG-CD1 4.32Å; L686-L768 HydrophobicContact CD1-CD2 3.75Å; L686-L768 HydrophobicContact CD2-CB 4.15Å; L686-L768 HydrophobicContact CD2-CD2 3.92Å; L686-L768 HydrophobicContact CD2-CG 3.9Å; L686-L768 HydrophobicContact CG-CD2 4.38Å; V726-L768 VanDerWaalsContact O-CD2 3.22Å; V726-L768 WeakPolarHBondContact O-CD2 3.37Å; L728-L768 HydrophobicContact CD2-CB 3.87Å; L728-L768 HydrophobicContact CD2-CD2 3.7Å; L728-L768 HydrophobicContact CD2-CG 4.42Å; L728-L768 HydrophobicContact CG-CD2 4.07Å; D764-L768 PolarHBondContact O-N 3.28Å; V765-L768 PolarHBondContact O-N 3.5Å; L768-A770 VanDerWaalsContact C-N 3.3Å; L768-A770 PolarHBondContact O-N 3.09Å; L768-W771 HydrophobicContact CD1-CE3 4.41Å; L768-W771 PolarHBondContact O-N 2.98Å; L768-V772 HydrophobicContact CD1-CG2 4.06Å; L768-V772 HydrophobicContact CG-CG2 4.44Å; L768-V772 WeakPolarHBondContact O-CG2 3.49Å; L768-V772 PolarHBondContact O-N 3.37Å
769K85Confident80Confident67 Ų6775.3 Ų75.329%0.29136%0.364SS..Hα-helixtrans-57.6-43.9174.1-75176.2-170.9164.60111.5L686 E690 V765 E766 A773L686-K769 HydrophobicContact CD2-CG 3.57Å; E690-K769 IonicContact OE1-NZ 2.78Å; E690-K769 PolarHBondContact OE1-NZ 3.09Å; E690-K769 WeakPolarHBondContact OE2-CE 3.47Å; E690-K769 IonicContact OE2-NZ 3.77Å; E690-K769 PolarHBondContact OE2-NZ 3.42Å; V765-K769 HydrophobicContact CG1-CD 4.42Å; V765-K769 WeakPolarHBondContact O-CG 3.35Å; V765-K769 PolarHBondContact O-N 3.39Å; E766-K769 PolarHBondContact O-N 3.48Å; E766-K769 IonicContact OE1-NZ 2.85Å; E766-K769 PolarHBondContact OE1-NZ 3.31Å; E766-K769 VanDerWaalsContact OE1-NZ 3.08Å; K769-A773 VanDerWaalsContact O-CB 3.32Å; K769-A773 WeakPolarHBondContact O-CB 3.35Å; K769-A773 PolarHBondContact O-N 3.24Å
770A81.5Confident79.6Confident62 Ų6271.4 Ų71.451%0.51235%0.346SS..Hα-helixtrans-65.5-41.3177.800000111.9E766 V767 L768 A773 K774E766-A770 WeakPolarHBondContact O-CB 3.47Å; E766-A770 PolarHBondContact O-N 2.68Å; V767-A770 PolarHBondContact O-N 2.92Å; L768-A770 VanDerWaalsContact C-N 3.3Å; L768-A770 PolarHBondContact O-N 3.09Å; A770-A773 PolarHBondContact O-N 2.91Å; A770-K774 WeakPolarHBondContact O-CB 3.14Å; A770-K774 PolarHBondContact O-N 2.98Å
771W85.9Confident79.1Confident35 Ų3571.2 Ų71.213%0.13335%0.346CS..Hα-helixtrans-62.1-49.1176.3-174.892.4000111.4L665 I667 L670 E671 L674 V767 L768 A773 K774 A775L665-W771 HydrophobicContact CD1-CB 3.74Å; L665-W771 HydrophobicContact CD1-CG 3.88Å; I667-W771 HydrophobicContact CG2-CZ2 4.35Å; L670-W771 HydrophobicContact CB-CE3 4.39Å; L670-W771 HydrophobicContact CB-CH2 3.62Å; L670-W771 HydrophobicContact CB-CZ2 4.3Å; L670-W771 HydrophobicContact CB-CZ3 3.67Å; L670-W771 HydrophobicContact CD1-CE3 4.33Å; L670-W771 HydrophobicContact CD1-CZ3 4.41Å; L670-W771 HydrophobicContact CG-CZ3 4.49Å; E671-W771 HydrophobicContact CG-CH2 4.12Å; E671-W771 HydrophobicContact CG-CZ2 3.94Å; L674-W771 HydrophobicContact CD2-CH2 4.47Å; V767-W771 WeakPolarHBondContact O-CB 3.22Å; V767-W771 PolarHBondContact O-N 2.86Å; L768-W771 HydrophobicContact CD1-CE3 4.41Å; L768-W771 PolarHBondContact O-N 2.98Å; W771-A773 PolarHBondContact O-N 3.05Å; W771-K774 PolarHBondContact O-N 3.25Å; W771-A775 HydrophobicContact CE3-CB 4.42Å; W771-A775 HydrophobicContact CH2-CB 4.39Å; W771-A775 HydrophobicContact CZ3-CB 4.27Å; W771-A775 WeakPolarHBondContact O-CB 3.33Å; W771-A775 PolarHBondContact O-N 3.01Å
772V82Confident78.3Confident8 Ų874.5 Ų74.55%0.04836%0.363CS..Hα-helixtrans-60.1-45.7177.2175.60000110.5P679 I682 L768 K774 A775 T776P679-V772 HydrophobicContact CB-CG1 3.98Å; I682-V772 HydrophobicContact CB-CG2 4.46Å; I682-V772 HydrophobicContact CG2-CG2 3.73Å; L768-V772 HydrophobicContact CD1-CG2 4.06Å; L768-V772 HydrophobicContact CG-CG2 4.44Å; L768-V772 WeakPolarHBondContact O-CG2 3.49Å; L768-V772 PolarHBondContact O-N 3.37Å; V772-K774 VanDerWaalsContact C-N 3.29Å; V772-K774 PolarHBondContact O-N 3.09Å; V772-A775 PolarHBondContact O-N 3.37Å; V772-T776 WeakPolarHBondContact O-CG2 3.49Å; V772-T776 PolarHBondContact O-N 3.41Å; V772-T776 PolarHBondContact O-OG1 2.97Å; V772-T776 VanDerWaalsContact O-OG1 3.05Å
773A77.7Confident77.5Confident53 Ų5368.4 Ų68.444%0.43835%0.345SS..Hα-helixtrans-62.5-34.3178.700000113.2K769 A770 W771 T776K769-A773 VanDerWaalsContact O-CB 3.32Å; K769-A773 WeakPolarHBondContact O-CB 3.35Å; K769-A773 PolarHBondContact O-N 3.24Å; A770-A773 PolarHBondContact O-N 2.91Å; W771-A773 PolarHBondContact O-N 3.05Å; A773-T776 WeakPolarHBondContact CA-OG1 3.42Å; A773-T776 PolarHBondContact O-OG1 3.39Å
774K75.4Confident76.7Confident110 Ų11065.7 Ų65.748%0.47833%0.334SS..Hα-helixtrans-73.4-41.9175.1-170.1178.4-178.7-179.50111.2A770 W771 V772 T776 K777 K778A770-K774 WeakPolarHBondContact O-CB 3.14Å; A770-K774 PolarHBondContact O-N 2.98Å; W771-K774 PolarHBondContact O-N 3.25Å; V772-K774 VanDerWaalsContact C-N 3.29Å; V772-K774 PolarHBondContact O-N 3.09Å; K774-T776 VanDerWaalsContact C-N 3.29Å; K774-T776 PolarHBondContact O-N 2.97Å; K774-K777 PolarHBondContact O-N 2.92Å; K774-K777 VanDerWaalsContact O-N 3.16Å; K774-K778 PolarHBondContact O-N 3.49Å
775A71.6Confident75.9Confident21 Ų2170.4 Ų70.417%0.17436%0.358CS..Hα-helixtrans-65.5-31177.700000112.4L674 W771 V772 K777 K778L674-A775 HydrophobicContact CD2-CB 3.62Å; W771-A775 HydrophobicContact CE3-CB 4.42Å; W771-A775 HydrophobicContact CH2-CB 4.39Å; W771-A775 HydrophobicContact CZ3-CB 4.27Å; W771-A775 WeakPolarHBondContact O-CB 3.33Å; W771-A775 PolarHBondContact O-N 3.01Å; V772-A775 PolarHBondContact O-N 3.37Å; A775-K777 VanDerWaalsContact C-N 3.34Å; A775-K778 VanDerWaalsContact O-OXT 3.1Å
776T61.4Low74.8Confident68 Ų6875.6 Ų75.642%0.41739%0.385SS..THydrogen-bonded Turntrans-78.3-11.5173.348.90000115.6P679 V772 A773 K774P679-T776 HydrophobicContact CB-CG2 3.21Å; P679-T776 HydrophobicContact CG-CG2 3.43Å; P679-T776 VanDerWaalsContact CG-CG2 3.43Å; V772-T776 WeakPolarHBondContact O-CG2 3.49Å; V772-T776 PolarHBondContact O-N 3.41Å; V772-T776 PolarHBondContact O-OG1 2.97Å; V772-T776 VanDerWaalsContact O-OG1 3.05Å; A773-T776 WeakPolarHBondContact CA-OG1 3.42Å; A773-T776 PolarHBondContact O-OG1 3.39Å; K774-T776 VanDerWaalsContact C-N 3.29Å; K774-T776 PolarHBondContact O-N 2.97Å
777K49.7Very low73.9Confident193 Ų19373.1 Ų73.184%0.83938%0.375SS*.THydrogen-bonded Turntrans-94.7-21.3175.7-83.3-176.1177.6179.70112.7K774 A775K774-K777 PolarHBondContact O-N 2.92Å; K774-K777 VanDerWaalsContact O-N 3.16Å; A775-K777 VanDerWaalsContact C-N 3.34Å
778K42.7Very low72.7Confident234 Ų23477.4 Ų77.4100%1.01740%0.395SS*.  trans-74.20159.4-83.8-173.7168.8-170.50107.8K774 A775K774-K778 PolarHBondContact O-N 3.49Å; A775-K778 VanDerWaalsContact O-OXT 3.1Å

Retrieved 778 of 778 residues in 321.5 ms (Link to these results)

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