H9FZY7_MACMU Loading...

Mini-chromosome maintenance complex-binding protein

AlphaFold DB , UniProt , Accession H9FZY7, Species MACMU (Macaca mulatta, Rhesus macaque), Gene C10orf119, Length 642 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
1M30.1Very low61.5Low236 Ų23692 Ų92100%1.16353%0.53SS*.  0112.20-71175.2170.400107.2
2P32.3Very low63.4Low131 Ų13185.8 Ų85.885%0.85149%0.493SS*.  trans-66.7142.6168.1-11.728.1000109.2
3C30.7Very low64.9Low122 Ų12282.3 Ų82.382%0.82449%0.487SS*.  trans-60.2151.8168.3-74.60000110.1E5C3-E5 PolarHBondContact O-N 3.37Å
4G41.8Very low66.3Low81 Ų8177 Ų7784%0.83546%0.455SS*.  trans-61.5109.9-177.400000112.3
5E51.3Low67.5Low129 Ų12971.9 Ų71.960%0.60343%0.425SS*.  trans-65.5138.9159.6-67.8-178.816000108.8C3 W7 I14C3-E5 PolarHBondContact O-N 3.37Å; E5-W7 VanDerWaalsContact C-N 3.27Å; E5-W7 PolarHBondContact O-N 3.26Å; E5-I14 HydrophobicContact CB-CG1 4.46Å
6D74Confident68.6Low86 Ų8671.3 Ų71.346%0.4642%0.416SS..  trans-76.882.3-179.2-1778.1000110.1L8 S9 H10D6-L8 PolarHBondContact O-N 3.07Å; D6-L8 PolarHBondContact OD1-N 3Å; D6-S9 WeakPolarHBondContact CB-OG 3.42Å; D6-S9 PolarHBondContact O-N 2.97Å; D6-S9 PolarHBondContact OD1-N 3.38Å; D6-S9 VanDerWaalsContact OD2-CB 3.24Å; D6-S9 WeakPolarHBondContact OD2-CB 3.28Å; D6-S9 PolarHBondContact OD2-OG 3.27Å; D6-H10 PolarHBondContact O-N 3.08Å
7W80.9Confident69.4Low39 Ų3968.8 Ų68.815%0.14841%0.409CS..THydrogen-bonded Turntrans-56.5-17.3179.667.6-84.1000114.1E5 I14 F36 L40 A45 V49 F65E5-W7 VanDerWaalsContact C-N 3.27Å; E5-W7 PolarHBondContact O-N 3.26Å; W7-I14 HydrophobicContact CB-CD1 3.39Å; W7-F36 HydrophobicContact CB-CE1 4.49Å; W7-F36 HydrophobicContact CE3-CD1 4.18Å; W7-F36 HydrophobicContact CE3-CE1 4.1Å; W7-L40 HydrophobicContact CH2-CD2 4.15Å; W7-L40 HydrophobicContact CZ3-CD2 4.33Å; W7-A45 HydrophobicContact CH2-CB 4.13Å; W7-A45 HydrophobicContact CZ2-CB 4.08Å; W7-V49 HydrophobicContact CH2-CG2 3.83Å; W7-V49 HydrophobicContact CZ3-CG2 4.09Å; W7-F65 HydrophobicContact CE3-CD1 4.15Å; W7-F65 HydrophobicContact CE3-CE1 4.39Å; W7-F65 HydrophobicContact CE3-CG 4.49Å; W7-F65 AromaticContact CZ3-CD1 3.7Å; W7-F65 HydrophobicContact CZ3-CD1 3.7Å; W7-F65 AromaticContact CZ3-CE1 3.71Å; W7-F65 HydrophobicContact CZ3-CE1 3.71Å; W7-F65 HydrophobicContact CZ3-CG 4.47Å; W7-F65 HydrophobicContact CZ3-CZ 4.47Å
8L81.8Confident70.1Confident36 Ų3667.1 Ų67.119%0.18840%0.396CS..THydrogen-bonded Turntrans-81.2-40.7173.8-68.2171.8000112.1D6 V49 S64 F65D6-L8 PolarHBondContact O-N 3.07Å; D6-L8 PolarHBondContact OD1-N 3Å; L8-V49 HydrophobicContact CD2-CB 4.38Å; L8-V49 HydrophobicContact CD2-CG2 3.88Å; L8-S64 WeakPolarHBondContact O-CB 3.35Å; L8-F65 HydrophobicContact CD2-CD1 4.28Å; L8-F65 PolarHBondContact O-N 3.28Å
9S82.9Confident70.8Confident21 Ų2164.1 Ų64.115%0.14738%0.378CS..THydrogen-bonded Turntrans-93.3-26.1-177.167.90000114.8D6D6-S9 WeakPolarHBondContact CB-OG 3.42Å; D6-S9 PolarHBondContact O-N 2.97Å; D6-S9 PolarHBondContact OD1-N 3.38Å; D6-S9 VanDerWaalsContact OD2-CB 3.24Å; D6-S9 WeakPolarHBondContact OD2-CB 3.28Å; D6-S9 PolarHBondContact OD2-OG 3.27Å
10H84.9Confident71.3Confident131 Ų13164.8 Ų64.861%0.60639%0.391SS*.  trans-134.253.5-178.5-59.684.5000113.6D6 L12 G13D6-H10 PolarHBondContact O-N 3.08Å; H10-L12 VanDerWaalsContact C-N 3.27Å; H10-L12 PolarHBondContact O-N 3.49Å; H10-G13 PolarHBondContact O-N 2.96Å; H10-G13 VanDerWaalsContact O-N 3.09Å
11P86.1Confident71.6Confident0 Ų068.9 Ų68.90%041%0.406CS..Hα-helixtrans-56.5-35.7179.525.4-37.2000113.8G13 I14 V15 F36 N63 F65 I261P11-G13 PolarHBondContact O-N 3.35Å; P11-I14 WeakPolarHBondContact O-CB 3.45Å; P11-I14 PolarHBondContact O-N 3.16Å; P11-V15 PolarHBondContact O-N 3.39Å; P11-F36 HydrophobicContact CB-CE1 4.26Å; P11-F36 HydrophobicContact CB-CZ 3.84Å; P11-N63 VanDerWaalsContact CD-O 3.24Å; P11-N63 WeakPolarHBondContact CD-O 3.46Å; P11-N63 VanDerWaalsContact CG-O 3.22Å; P11-N63 WeakPolarHBondContact CG-O 3.28Å; P11-F65 HydrophobicContact CB-CB 4.24Å; P11-F65 HydrophobicContact CB-CD2 4.25Å; P11-F65 HydrophobicContact CG-CB 4.02Å; P11-I261 HydrophobicContact CB-CD1 3.91Å; P11-I261 HydrophobicContact CB-CG1 4.11Å; P11-I261 HydrophobicContact CG-CD1 3.91Å; P11-I261 HydrophobicContact CG-CG1 3.88Å; P11-I261 HydrophobicContact CG-CG2 4.26Å
12L84.4Confident73.5Confident18 Ų1859.7 Ų59.79%0.09436%0.361CS..Hα-helixtrans-61.2-29.8177.8-70.9176.8000113.3H10 I14 V15 Q16 N63 F99 R103 I261H10-L12 VanDerWaalsContact C-N 3.27Å; H10-L12 PolarHBondContact O-N 3.49Å; L12-I14 VanDerWaalsContact C-N 3.35Å; L12-V15 PolarHBondContact O-N 3.12Å; L12-Q16 WeakPolarHBondContact O-CB 3.21Å; L12-Q16 PolarHBondContact O-N 2.96Å; L12-N63 HydrophobicContact CD1-CB 3.92Å; L12-F99 HydrophobicContact CD2-CE2 4.42Å; L12-F99 HydrophobicContact CD2-CZ 4.46Å; L12-R103 HydrophobicContact CD2-CG 4.36Å; L12-I261 HydrophobicContact CD2-CD1 3.46Å; L12-I261 VanDerWaalsContact CD2-CD1 3.46Å; L12-I261 HydrophobicContact CG-CD1 3.84Å; L12-I261 HydrophobicContact CG-CG2 4.33Å
13G83.2Confident75.2Confident40 Ų4055 Ų5541%0.41234%0.337SS..Hα-helixtrans-65.5-38.8176.700000112.3H10 P11 Q16 G17H10-G13 PolarHBondContact O-N 2.96Å; H10-G13 VanDerWaalsContact O-N 3.09Å; P11-G13 PolarHBondContact O-N 3.35Å; G13-Q16 PolarHBondContact O-N 2.56Å; G13-G17 PolarHBondContact O-N 2.89Å
14I84.3Confident76.7Confident8 Ų853.1 Ų53.14%0.04132%0.321CS..Hα-helixtrans-66.3-43.5175.9-63.1173.1000110.1E5 W7 P11 L12 G17 F18 Y35E5-I14 HydrophobicContact CB-CG1 4.46Å; W7-I14 HydrophobicContact CB-CD1 3.39Å; P11-I14 WeakPolarHBondContact O-CB 3.45Å; P11-I14 PolarHBondContact O-N 3.16Å; L12-I14 VanDerWaalsContact C-N 3.35Å; I14-G17 PolarHBondContact O-N 3.28Å; I14-F18 HydrophobicContact CG2-CD2 3.88Å; I14-F18 HydrophobicContact CG2-CE2 3.63Å; I14-F18 VanDerWaalsContact O-CD2 3.26Å; I14-F18 WeakPolarHBondContact O-CD2 3.39Å; I14-F18 PolarHBondContact O-N 3.41Å; I14-Y35 HydrophobicContact CD1-CE1 3.95Å; I14-Y35 HydrophobicContact CG2-CD1 4.05Å; I14-Y35 HydrophobicContact CG2-CE1 3.88Å
15V84.4Confident78.1Confident0 Ų052.8 Ų52.80%030%0.3CS..Hα-helixtrans-61.1-45.8175.6-176.70000111P11 L12 G17 F18 F19 W28 V32 F99 Y102P11-V15 PolarHBondContact O-N 3.39Å; L12-V15 PolarHBondContact O-N 3.12Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 2.94Å; V15-F18 PolarHBondContact O-N 3.27Å; V15-F19 WeakPolarHBondContact O-CB 3.25Å; V15-F19 PolarHBondContact O-N 2.9Å; V15-W28 HydrophobicContact CG1-CE3 4.27Å; V15-W28 HydrophobicContact CG1-CH2 4.32Å; V15-W28 HydrophobicContact CG1-CZ3 3.57Å; V15-V32 HydrophobicContact CG1-CG2 4.34Å; V15-V32 HydrophobicContact CG2-CG1 4Å; V15-V32 HydrophobicContact CG2-CG2 4.33Å; V15-F99 HydrophobicContact CB-CE2 4.21Å; V15-F99 HydrophobicContact CB-CZ 3.86Å; V15-F99 HydrophobicContact CG1-CD2 4.13Å; V15-F99 HydrophobicContact CG1-CE1 4.18Å; V15-F99 HydrophobicContact CG1-CE2 3.49Å; V15-F99 VanDerWaalsContact CG1-CE2 3.49Å; V15-F99 HydrophobicContact CG1-CZ 3.52Å; V15-Y102 HydrophobicContact CG1-CD2 4.19Å; V15-Y102 HydrophobicContact CG1-CE2 4.25Å; V15-Y102 HydrophobicContact CG2-CD2 4.35Å; V15-Y102 HydrophobicContact CG2-CE2 4.46Å
16Q83.9Confident79Confident62 Ų6250.3 Ų50.329%0.2930%0.296SS..Hα-helixtrans-59.2-38.4174-174.468.258.100112.1L12 G13 F19 A20 F99L12-Q16 WeakPolarHBondContact O-CB 3.21Å; L12-Q16 PolarHBondContact O-N 2.96Å; G13-Q16 PolarHBondContact O-N 2.56Å; Q16-F19 PolarHBondContact O-N 3.07Å; Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 2.9Å; Q16-F99 HydrophobicContact CB-CE1 3.87Å; Q16-F99 HydrophobicContact CG-CE1 4.46Å
17G82.4Confident79.2Confident29 Ų2949.7 Ų49.730%0.29929%0.292SS..Hα-helixtrans-63-42.7175.100000113.2G13 I14 V15 Q21G13-G17 PolarHBondContact O-N 2.89Å; I14-G17 PolarHBondContact O-N 3.28Å; V15-G17 VanDerWaalsContact C-N 3.28Å; V15-G17 PolarHBondContact O-N 2.94Å; G17-Q21 VanDerWaalsContact O-CG 3.27Å; G17-Q21 WeakPolarHBondContact O-CG 3.31Å; G17-Q21 PolarHBondContact O-N 3.37Å; G17-Q21 PolarHBondContact O-NE2 3.29Å
18F83.3Confident79.1Confident39 Ų3948 Ų4817%0.17129%0.286CS..Hα-helixtrans-69.7-40174.4-77.4-67000112.5I14 V15 Q21 N22 W28 K31 V32 Y35I14-F18 HydrophobicContact CG2-CD2 3.88Å; I14-F18 HydrophobicContact CG2-CE2 3.63Å; I14-F18 VanDerWaalsContact O-CD2 3.26Å; I14-F18 WeakPolarHBondContact O-CD2 3.39Å; I14-F18 PolarHBondContact O-N 3.41Å; V15-F18 PolarHBondContact O-N 3.27Å; F18-Q21 PolarHBondContact O-N 2.85Å; F18-N22 PolarHBondContact O-N 3.14Å; F18-N22 PolarHBondContact O-ND2 3.27Å; F18-W28 HydrophobicContact CB-CB 4.32Å; F18-K31 HydrophobicContact CD1-CB 4.19Å; F18-K31 HydrophobicContact CE1-CB 4.24Å; F18-V32 HydrophobicContact CB-CG2 3.9Å; F18-V32 HydrophobicContact CD2-CG2 3.67Å; F18-V32 HydrophobicContact CE2-CG2 4.49Å; F18-V32 HydrophobicContact CG-CG2 4.03Å; F18-Y35 HydrophobicContact CE2-CD1 4.47Å; F18-Y35 HydrophobicContact CE2-CD2 4.23Å; F18-Y35 AromaticContact CE2-CG 3.98Å; F18-Y35 HydrophobicContact CE2-CG 3.98Å; F18-Y35 HydrophobicContact CZ-CD2 4.05Å; F18-Y35 HydrophobicContact CZ-CG 4.14Å
19F83.4Confident79.1Confident10 Ų1048 Ų484%0.04429%0.285CS..Hα-helixtrans-60.2-49.8174.8-179.1-108.2000111.3V15 Q16 Q21 N22 G23 W28 V84 F99V15-F19 WeakPolarHBondContact O-CB 3.25Å; V15-F19 PolarHBondContact O-N 2.9Å; Q16-F19 PolarHBondContact O-N 3.07Å; F19-Q21 PolarHBondContact O-N 3.36Å; F19-Q21 VanDerWaalsContact O-N 3.15Å; F19-N22 PolarHBondContact O-N 3Å; F19-G23 WeakPolarHBondContact O-CA 3.49Å; F19-G23 PolarHBondContact O-N 2.59Å; F19-W28 HydrophobicContact CD2-CD2 4.33Å; F19-W28 AromaticContact CD2-CE2 3.75Å; F19-W28 HydrophobicContact CD2-CZ2 4.08Å; F19-W28 AromaticContact CD2-NE1 3.6Å; F19-V84 HydrophobicContact CE2-CG2 4.08Å; F19-V84 HydrophobicContact CZ-CG1 4.31Å; F19-V84 HydrophobicContact CZ-CG2 4.38Å; F19-F99 HydrophobicContact CB-CD1 4.15Å; F19-F99 HydrophobicContact CD1-CD1 4.11Å; F19-F99 HydrophobicContact CD2-CB 4.17Å; F19-F99 HydrophobicContact CE2-CB 4.2Å; F19-F99 HydrophobicContact CG-CB 4.37Å; F19-F99 HydrophobicContact CG-CD1 4.07Å; F19-F99 HydrophobicContact CZ-CB 4.42Å
20A80.5Confident79.2Confident77 Ų7753.3 Ų53.364%0.63631%0.305SS*.Hα-helixtrans-60.7-26.3179.700000114Q16Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 2.9Å
21Q77.1Confident79.2Confident152 Ų15251 Ų5171%0.7129%0.294SS*.Hα-helixtrans-83-27.9178.6-73.3171.241.100114.2G17 F18 F19G17-Q21 VanDerWaalsContact O-CG 3.27Å; G17-Q21 WeakPolarHBondContact O-CG 3.31Å; G17-Q21 PolarHBondContact O-N 3.37Å; G17-Q21 PolarHBondContact O-NE2 3.29Å; F18-Q21 PolarHBondContact O-N 2.85Å; F19-Q21 PolarHBondContact O-N 3.36Å; F19-Q21 VanDerWaalsContact O-N 3.15Å
22N70.9Confident79.2Confident43 Ų4351 Ų5123%0.2329%0.294CS..Hα-helixtrans-112.7-12.3-174.7-57.6-88000113.3F18 F19 W28 K31F18-N22 PolarHBondContact O-N 3.14Å; F18-N22 PolarHBondContact O-ND2 3.27Å; F19-N22 PolarHBondContact O-N 3Å; N22-W28 HydrophobicContact CB-CB 4.03Å; N22-K31 PolarHBondContact OD1-NZ 3.23Å
23G67.2Low79.3Confident32 Ų3251.8 Ų51.833%0.3330%0.297SS..THydrogen-bonded Turntrans65-138.1-176.900000112.3F19 N25F19-G23 WeakPolarHBondContact O-CA 3.49Å; F19-G23 PolarHBondContact O-N 2.59Å; G23-N25 PolarHBondContact O-N 2.78Å
24V62.8Low79.5Confident83 Ų8355.5 Ų55.550%0.50330%0.304SS..THydrogen-bonded Turntrans-77.1-5-175-167.80000112.9P26 L97V24-P26 WeakPolarHBondContact O-CD 3.3Å; V24-L97 HydrophobicContact CG2-CD1 4.41Å
25N71.1Confident79.6Confident74 Ų7458.1 Ų58.140%0.39631%0.314SS..  trans-74.3119.9179.8177.88.7000111.2G23 D27 W28G23-N25 PolarHBondContact O-N 2.78Å; N25-D27 PolarHBondContact ND2-OD2 3.14Å; N25-D27 PolarHBondContact O-N 2.68Å; N25-D27 PolarHBondContact OD1-N 3.43Å; N25-D27 PolarHBondContact OD1-OD2 3.25Å; N25-W28 PolarHBondContact O-N 3.25Å
26P69.3Low79.8Confident77 Ų7758.1 Ų58.150%0.531%0.314SS..THydrogen-bonded Turntrans-60.9-7-176.325-36.5000115.8V24 W28 E29V24-P26 WeakPolarHBondContact O-CD 3.3Å; P26-W28 PolarHBondContact O-N 3.29Å; P26-E29 WeakPolarHBondContact O-CB 3.36Å; P26-E29 WeakPolarHBondContact O-CG 3.48Å; P26-E29 PolarHBondContact O-N 3.14Å
27D78.4Confident79.9Confident73 Ų7360.4 Ų60.439%0.3932%0.323SS..Hα-helixtrans-54-19.9172.4-73.9-27.9000114.6N25 E29 K31N25-D27 PolarHBondContact ND2-OD2 3.14Å; N25-D27 PolarHBondContact O-N 2.68Å; N25-D27 PolarHBondContact OD1-N 3.43Å; N25-D27 PolarHBondContact OD1-OD2 3.25Å; D27-E29 VanDerWaalsContact C-N 3.31Å; D27-K31 WeakPolarHBondContact O-CG 3.25Å; D27-K31 PolarHBondContact O-N 3.06Å
28W79.5Confident80.1Confident4 Ų464.9 Ų64.92%0.01534%0.336CS..Hα-helixtrans-67.5-30173.767.4-99.3000113V15 F18 F19 N22 N25 P26 K31 V32 F99 K101V15-W28 HydrophobicContact CG1-CE3 4.27Å; V15-W28 HydrophobicContact CG1-CH2 4.32Å; V15-W28 HydrophobicContact CG1-CZ3 3.57Å; F18-W28 HydrophobicContact CB-CB 4.32Å; F19-W28 HydrophobicContact CD2-CD2 4.33Å; F19-W28 AromaticContact CD2-CE2 3.75Å; F19-W28 HydrophobicContact CD2-CZ2 4.08Å; F19-W28 AromaticContact CD2-NE1 3.6Å; N22-W28 HydrophobicContact CB-CB 4.03Å; N25-W28 PolarHBondContact O-N 3.25Å; P26-W28 PolarHBondContact O-N 3.29Å; W28-K31 PolarHBondContact O-N 3.1Å; W28-V32 HydrophobicContact CE3-CG2 4.03Å; W28-V32 HydrophobicContact CZ3-CG2 4.43Å; W28-V32 WeakPolarHBondContact O-CG2 3.45Å; W28-V32 PolarHBondContact O-N 2.94Å; W28-F99 HydrophobicContact CH2-CB 4.45Å; W28-F99 HydrophobicContact CH2-CD2 4.33Å; W28-F99 HydrophobicContact CH2-CG 4.48Å; W28-F99 HydrophobicContact CZ2-CB 4.4Å; W28-K101 HydrophobicContact CH2-CB 4.05Å; W28-K101 HydrophobicContact CH2-CD 4.03Å
29E81.4Confident80.1Confident35 Ų3565.6 Ų65.616%0.16434%0.339CS..Hα-helixtrans-67.4-45.8-175.7-56.8-170.9160.700110.7P26 D27 K31 V32 I33 K101P26-E29 WeakPolarHBondContact O-CB 3.36Å; P26-E29 WeakPolarHBondContact O-CG 3.48Å; P26-E29 PolarHBondContact O-N 3.14Å; D27-E29 VanDerWaalsContact C-N 3.31Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.39Å; E29-V32 WeakPolarHBondContact O-CB 3.38Å; E29-V32 PolarHBondContact O-N 3.11Å; E29-I33 WeakPolarHBondContact O-CG1 3.43Å; E29-I33 PolarHBondContact O-N 3.32Å; E29-K101 HydrophobicContact CG-CD 4.33Å; E29-K101 WeakPolarHBondContact OE1-CD 3.42Å; E29-K101 IonicContact OE1-NZ 3.76Å; E29-K101 IonicContact OE2-NZ 2.67Å; E29-K101 PolarHBondContact OE2-NZ 2.94Å
30K84.3Confident80.1Confident132 Ų13266.2 Ų66.257%0.57434%0.343SS*.Hα-helixtrans-61.4-41.5174.4-66.8176.2-177.9169.60111.8V32 I33 E34K30-V32 VanDerWaalsContact C-N 3.33Å; K30-V32 PolarHBondContact O-N 3.29Å; K30-I33 PolarHBondContact O-N 3.45Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.44Å
31K85.2Confident80Confident84 Ų8470.2 Ų70.237%0.36535%0.345SS..Hα-helixtrans-63.6-36.6176.5-68.1171.3-168.9177.70112.4F18 N22 D27 W28 E29 Y35F18-K31 HydrophobicContact CD1-CB 4.19Å; F18-K31 HydrophobicContact CE1-CB 4.24Å; N22-K31 PolarHBondContact OD1-NZ 3.23Å; D27-K31 WeakPolarHBondContact O-CG 3.25Å; D27-K31 PolarHBondContact O-N 3.06Å; W28-K31 PolarHBondContact O-N 3.1Å; E29-K31 VanDerWaalsContact C-N 3.34Å; E29-K31 PolarHBondContact O-N 3.39Å; K31-Y35 VanDerWaalsContact O-CB 3.25Å; K31-Y35 WeakPolarHBondContact O-CB 3.31Å; K31-Y35 PolarHBondContact O-N 2.94Å
32V85.4Confident79.8Confident0 Ų067.1 Ų67.10%033%0.331CS..Hα-helixtrans-63.3-50.3173.1165.50000110.4V15 F18 W28 E29 K30 E34 Y35 F36 Y102 I310V15-V32 HydrophobicContact CG1-CG2 4.34Å; V15-V32 HydrophobicContact CG2-CG1 4Å; V15-V32 HydrophobicContact CG2-CG2 4.33Å; F18-V32 HydrophobicContact CB-CG2 3.9Å; F18-V32 HydrophobicContact CD2-CG2 3.67Å; F18-V32 HydrophobicContact CE2-CG2 4.49Å; F18-V32 HydrophobicContact CG-CG2 4.03Å; W28-V32 HydrophobicContact CE3-CG2 4.03Å; W28-V32 HydrophobicContact CZ3-CG2 4.43Å; W28-V32 WeakPolarHBondContact O-CG2 3.45Å; W28-V32 PolarHBondContact O-N 2.94Å; E29-V32 WeakPolarHBondContact O-CB 3.38Å; E29-V32 PolarHBondContact O-N 3.11Å; K30-V32 VanDerWaalsContact C-N 3.33Å; K30-V32 PolarHBondContact O-N 3.29Å; V32-E34 VanDerWaalsContact C-N 3.35Å; V32-E34 PolarHBondContact O-N 3.31Å; V32-Y35 PolarHBondContact O-N 2.61Å; V32-F36 HydrophobicContact CG1-CD2 3.91Å; V32-F36 HydrophobicContact CG1-CE2 3.95Å; V32-F36 WeakPolarHBondContact O-CD2 3.35Å; V32-F36 PolarHBondContact O-N 3.15Å; V32-Y102 HydrophobicContact CG1-CE2 4.44Å; V32-I310 HydrophobicContact CG1-CG2 4.38Å
33I86.5Confident79.2Confident33 Ų3372 Ų7217%0.16936%0.357CS..Hα-helixtrans-59.4-45.9178.6-66.7170.4000110.7E29 K30 K37 E245 L311E29-I33 WeakPolarHBondContact O-CG1 3.43Å; E29-I33 PolarHBondContact O-N 3.32Å; K30-I33 PolarHBondContact O-N 3.45Å; I33-K37 WeakPolarHBondContact O-CB 3.33Å; I33-K37 PolarHBondContact O-N 3.15Å; I33-E245 WeakPolarHBondContact CD1-OE2 3.49Å; I33-L311 HydrophobicContact CG2-CD2 3.76Å
34E87.8Confident79.3Confident119 Ų11975.9 Ų75.956%0.55637%0.37SS*.Hα-helixtrans-60.9-46.7175.9-74.6177.9167.100112.1K30 V32 F36 K37 E38K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.44Å; V32-E34 VanDerWaalsContact C-N 3.35Å; V32-E34 PolarHBondContact O-N 3.31Å; E34-F36 PolarHBondContact O-N 3.18Å; E34-K37 CarbonylContact O-C 3.52Å; E34-K37 WeakPolarHBondContact O-CB 3.45Å; E34-K37 PolarHBondContact O-N 3.32Å; E34-E38 WeakPolarHBondContact O-CG 3.24Å; E34-E38 PolarHBondContact O-N 2.71Å
35Y87.8Confident79.6Confident63 Ų6372.4 Ų72.425%0.24735%0.35CS..Hα-helixtrans-57.1-51.5178.3176.3-90.3000112.4I14 F18 K31 V32 K37 E38 K39I14-Y35 HydrophobicContact CD1-CE1 3.95Å; I14-Y35 HydrophobicContact CG2-CD1 4.05Å; I14-Y35 HydrophobicContact CG2-CE1 3.88Å; F18-Y35 HydrophobicContact CE2-CD1 4.47Å; F18-Y35 HydrophobicContact CE2-CD2 4.23Å; F18-Y35 AromaticContact CE2-CG 3.98Å; F18-Y35 HydrophobicContact CE2-CG 3.98Å; F18-Y35 HydrophobicContact CZ-CD2 4.05Å; F18-Y35 HydrophobicContact CZ-CG 4.14Å; K31-Y35 VanDerWaalsContact O-CB 3.25Å; K31-Y35 WeakPolarHBondContact O-CB 3.31Å; K31-Y35 PolarHBondContact O-N 2.94Å; V32-Y35 PolarHBondContact O-N 2.61Å; Y35-K37 VanDerWaalsContact C-N 3.3Å; Y35-K37 PolarHBondContact O-N 3.34Å; Y35-E38 PolarHBondContact O-N 3.18Å; Y35-K39 HydrophobicContact CD1-CG 4.33Å; Y35-K39 HydrophobicContact CE1-CG 3.9Å; Y35-K39 HydrophobicContact CE2-CG 4.43Å; Y35-K39 WeakPolarHBondContact O-CG 3.34Å; Y35-K39 PolarHBondContact O-N 2.98Å
36F87Confident79.9Confident0 Ų070.7 Ų70.70%034%0.343CS..Hα-helixtrans-65.9-34.5178.1-77.8-77.2000111.8W7 P11 V32 E34 K39 L40 F65 I310 L311W7-F36 HydrophobicContact CB-CE1 4.49Å; W7-F36 HydrophobicContact CE3-CD1 4.18Å; W7-F36 HydrophobicContact CE3-CE1 4.1Å; P11-F36 HydrophobicContact CB-CE1 4.26Å; P11-F36 HydrophobicContact CB-CZ 3.84Å; V32-F36 HydrophobicContact CG1-CD2 3.91Å; V32-F36 HydrophobicContact CG1-CE2 3.95Å; V32-F36 WeakPolarHBondContact O-CD2 3.35Å; V32-F36 PolarHBondContact O-N 3.15Å; E34-F36 PolarHBondContact O-N 3.18Å; F36-K39 PolarHBondContact O-N 2.89Å; F36-L40 WeakPolarHBondContact O-CB 3.42Å; F36-L40 WeakPolarHBondContact O-CG 3.44Å; F36-L40 PolarHBondContact O-N 2.94Å; F36-F65 HydrophobicContact CD1-CD2 4.05Å; F36-F65 AromaticContact CD1-CE2 3.48Å; F36-F65 HydrophobicContact CD1-CE2 3.48Å; F36-F65 VanDerWaalsContact CD1-CE2 3.48Å; F36-F65 AromaticContact CD1-CZ 3.77Å; F36-F65 HydrophobicContact CD1-CZ 3.77Å; F36-F65 AromaticContact CE1-CD2 3.73Å; F36-F65 HydrophobicContact CE1-CD2 3.73Å; F36-F65 AromaticContact CE1-CE2 3.65Å; F36-F65 HydrophobicContact CE1-CE2 3.65Å; F36-F65 HydrophobicContact CE1-CG 4.42Å; F36-F65 HydrophobicContact CE1-CZ 4.29Å; F36-F65 HydrophobicContact CG-CE2 4.13Å; F36-F65 HydrophobicContact CG-CZ 4.45Å; F36-F65 HydrophobicContact CZ-CD2 4.41Å; F36-F65 HydrophobicContact CZ-CE2 4.41Å; F36-I310 HydrophobicContact CB-CG2 4.16Å; F36-I310 HydrophobicContact CD2-CD1 4.22Å; F36-I310 HydrophobicContact CD2-CG2 3.83Å; F36-I310 HydrophobicContact CE2-CD1 3.99Å; F36-I310 HydrophobicContact CG-CG2 4.17Å; F36-I310 HydrophobicContact CZ-CD1 4.27Å; F36-L311 HydrophobicContact CB-CD1 4.04Å
37K86.1Confident80.3Confident109 Ų10971.2 Ų71.247%0.47434%0.338SS..Hα-helixtrans-69.1-33.7177.6-173.2177.1-172.3173.60112.8I33 E34 Y35 K41 L311I33-K37 WeakPolarHBondContact O-CB 3.33Å; I33-K37 PolarHBondContact O-N 3.15Å; E34-K37 CarbonylContact O-C 3.52Å; E34-K37 WeakPolarHBondContact O-CB 3.45Å; E34-K37 PolarHBondContact O-N 3.32Å; Y35-K37 VanDerWaalsContact C-N 3.3Å; Y35-K37 PolarHBondContact O-N 3.34Å; K37-K41 VanDerWaalsContact O-CG 3.31Å; K37-K41 WeakPolarHBondContact O-CG 3.3Å; K37-K41 PolarHBondContact O-N 2.84Å; K37-L311 HydrophobicContact CB-CD1 4.1Å; K37-L311 HydrophobicContact CB-CD2 4.25Å
38E86.1Confident80.4Confident124 Ų12474.9 Ų74.958%0.57935%0.346SS*.Hα-helixtrans-71.8-46.2170.7-71.5-169.3155.100111.2E34 Y35 L40 K41 E42E34-E38 WeakPolarHBondContact O-CG 3.24Å; E34-E38 PolarHBondContact O-N 2.71Å; Y35-E38 PolarHBondContact O-N 3.18Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.37Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 3.11Å; E38-E42 PolarHBondContact O-N 3.43Å; E38-E42 VanDerWaalsContact O-N 3.09Å
39K84.4Confident80.6Confident54 Ų5474.7 Ų74.724%0.23535%0.345CS..Hα-helixtrans-58.7-37.6177.1-70.2-69.1146.2-147.80113Y35 F36 K41 E42 A45Y35-K39 HydrophobicContact CD1-CG 4.33Å; Y35-K39 HydrophobicContact CE1-CG 3.9Å; Y35-K39 HydrophobicContact CE2-CG 4.43Å; Y35-K39 WeakPolarHBondContact O-CG 3.34Å; Y35-K39 PolarHBondContact O-N 2.98Å; F36-K39 PolarHBondContact O-N 2.89Å; K39-K41 VanDerWaalsContact C-N 3.33Å; K39-E42 IonicContact NZ-OE1 3.5Å; K39-E42 PolarHBondContact NZ-OE1 3.13Å; K39-E42 IonicContact NZ-OE2 2.66Å; K39-E42 PolarHBondContact NZ-OE2 2.9Å; K39-E42 PolarHBondContact O-N 2.83Å; K39-A45 WeakPolarHBondContact O-CB 3.39Å
40L82.6Confident80.9Confident23 Ų2374 Ų7412%0.1234%0.344CS..Hα-helixtrans-73.2-19.5174.8-69.8175.4000114.2W7 F36 E38 P46 V49 F65 Y259 L311W7-L40 HydrophobicContact CH2-CD2 4.15Å; W7-L40 HydrophobicContact CZ3-CD2 4.33Å; F36-L40 WeakPolarHBondContact O-CB 3.42Å; F36-L40 WeakPolarHBondContact O-CG 3.44Å; F36-L40 PolarHBondContact O-N 2.94Å; E38-L40 VanDerWaalsContact C-N 3.29Å; E38-L40 PolarHBondContact O-N 3.37Å; L40-P46 HydrophobicContact CB-CG 4.38Å; L40-P46 HydrophobicContact CD2-CG 4.13Å; L40-P46 WeakPolarHBondContact O-CD 3.49Å; L40-P46 WeakPolarHBondContact O-CG 3.49Å; L40-V49 HydrophobicContact CD2-CG2 3.9Å; L40-F65 HydrophobicContact CD1-CZ 4.5Å; L40-F65 HydrophobicContact CD2-CE1 4.41Å; L40-Y259 HydrophobicContact CD1-CD1 3.76Å; L40-Y259 HydrophobicContact CD1-CD2 4.14Å; L40-Y259 HydrophobicContact CD1-CE1 4.14Å; L40-Y259 HydrophobicContact CD1-CG 3.77Å; L40-Y259 HydrophobicContact CD2-CD1 4Å; L40-Y259 HydrophobicContact CD2-CE1 3.98Å; L40-L311 HydrophobicContact CD1-CD1 3.65Å
41K79.8Confident81.1Confident160 Ų16067.9 Ų67.970%0.69632%0.318SS*.Hα-helixtrans-82-29.3171.9-73.8170.3178.8-179.10112.4K37 E38 K39K37-K41 VanDerWaalsContact O-CG 3.31Å; K37-K41 WeakPolarHBondContact O-CG 3.3Å; K37-K41 PolarHBondContact O-N 2.84Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 3.11Å; K39-K41 VanDerWaalsContact C-N 3.33Å
42E71.5Confident81.2Confident88 Ų8864.2 Ų64.241%0.41130%0.302SS..SBendtrans-69.3140.1177.7-70.4177.4168.600112E38 K39 N44 A45E38-E42 PolarHBondContact O-N 3.43Å; E38-E42 VanDerWaalsContact O-N 3.09Å; K39-E42 IonicContact NZ-OE1 3.5Å; K39-E42 PolarHBondContact NZ-OE1 3.13Å; K39-E42 IonicContact NZ-OE2 2.66Å; K39-E42 PolarHBondContact NZ-OE2 2.9Å; K39-E42 PolarHBondContact O-N 2.83Å; E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 2.75Å; E42-A45 WeakPolarHBondContact O-CB 3.38Å; E42-A45 PolarHBondContact O-N 2.74Å
43N59.1Low81.3Confident145 Ų14566.1 Ų66.178%0.77531%0.312SS*.THydrogen-bonded Turntrans52.323.4160.1-60.6-25.2000118.7A45N43-A45 VanDerWaalsContact C-N 3.25Å; N43-A45 PolarHBondContact O-N 3.39Å
44N68.4Low81.2Confident114 Ų11466.8 Ų66.861%0.6132%0.315SS*.THydrogen-bonded Turntrans58.632.2-170.9-52.4-66.3000113.6E42 P46 K47E42-N44 VanDerWaalsContact C-N 3.26Å; E42-N44 PolarHBondContact O-N 2.75Å; N44-P46 VanDerWaalsContact C-N 3.26Å; N44-P46 WeakPolarHBondContact O-CD 3.44Å; N44-P46 VanDerWaalsContact O-N 3.08Å; N44-K47 HydrophobicContact CB-CD 4.36Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 2.95Å
45A69.6Low81Confident10 Ų1061.9 Ų61.98%0.08329%0.293CS..G310 helixtrans-48.4-30.8178.300000116.2W7 K39 E42 N43 K47 W48 V49W7-A45 HydrophobicContact CH2-CB 4.13Å; W7-A45 HydrophobicContact CZ2-CB 4.08Å; K39-A45 WeakPolarHBondContact O-CB 3.39Å; E42-A45 WeakPolarHBondContact O-CB 3.38Å; E42-A45 PolarHBondContact O-N 2.74Å; N43-A45 VanDerWaalsContact C-N 3.25Å; N43-A45 PolarHBondContact O-N 3.39Å; A45-K47 PolarHBondContact O-N 3.29Å; A45-W48 WeakPolarHBondContact O-CA 3.5Å; A45-W48 WeakPolarHBondContact O-CB 3.43Å; A45-W48 PolarHBondContact O-N 2.82Å; A45-V49 PolarHBondContact O-N 3.47Å
46P77Confident80.8Confident38 Ų3862 Ų6225%0.24730%0.302CS..G310 helixtrans-57-21.8173.5-29.937.5000114.9L40 N44 W48 K67 Y259L40-P46 HydrophobicContact CB-CG 4.38Å; L40-P46 HydrophobicContact CD2-CG 4.13Å; L40-P46 WeakPolarHBondContact O-CD 3.49Å; L40-P46 WeakPolarHBondContact O-CG 3.49Å; N44-P46 VanDerWaalsContact C-N 3.26Å; N44-P46 WeakPolarHBondContact O-CD 3.44Å; N44-P46 VanDerWaalsContact O-N 3.08Å; P46-W48 VanDerWaalsContact C-N 3.32Å; P46-K67 PolarHBondContact O-NZ 3.19Å; P46-Y259 HydrophobicContact CB-CE1 4.37Å
47K77.9Confident80.5Confident87 Ų8764 Ų6438%0.37831%0.312SS..G310 helixtrans-79.4-13.5173.3-61.6-172.3176.2-170.10113.7N44 A45 A148 N149 Q150 A151N44-K47 HydrophobicContact CB-CD 4.36Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 2.95Å; A45-K47 PolarHBondContact O-N 3.29Å; K47-A148 WeakPolarHBondContact CD-O 3.23Å; K47-A148 WeakPolarHBondContact CG-O 3.23Å; K47-N149 PolarHBondContact O-OD1 2.68Å; K47-N149 VanDerWaalsContact O-OD1 3.06Å; K47-Q150 WeakPolarHBondContact O-CA 3.22Å; K47-Q150 PolarHBondContact O-N 3.33Å; K47-A151 PolarHBondContact O-N 2.79Å
48W80.3Confident80.1Confident151 Ų15165.5 Ų65.557%0.57232%0.32SS*.THydrogen-bonded Turntrans-101.3-18-178-64.162.8000112.2A45 P46 A151A45-W48 WeakPolarHBondContact O-CA 3.5Å; A45-W48 WeakPolarHBondContact O-CB 3.43Å; A45-W48 PolarHBondContact O-N 2.82Å; P46-W48 VanDerWaalsContact C-N 3.32Å; W48-A151 WeakPolarHBondContact O-CB 3.4Å
49V85.2Confident79.9Confident0 Ų064 Ų640%031%0.31CS..SBendtrans-71.7124.7173.6-176.50000110W7 L8 L40 A45 F65 V66 K67 Y259W7-V49 HydrophobicContact CH2-CG2 3.83Å; W7-V49 HydrophobicContact CZ3-CG2 4.09Å; L8-V49 HydrophobicContact CD2-CB 4.38Å; L8-V49 HydrophobicContact CD2-CG2 3.88Å; L40-V49 HydrophobicContact CD2-CG2 3.9Å; A45-V49 PolarHBondContact O-N 3.47Å; V49-F65 HydrophobicContact CG1-CD1 3.83Å; V49-F65 HydrophobicContact CG1-CE1 4.18Å; V49-F65 HydrophobicContact CG2-CD1 4.08Å; V49-F65 HydrophobicContact CG2-CE1 4.05Å; V49-V66 VanDerWaalsContact CG1-C 3.47Å; V49-K67 HydrophobicContact CB-CB 4.47Å; V49-K67 HydrophobicContact CB-CD 4.29Å; V49-K67 HydrophobicContact CB-CG 4.4Å; V49-K67 HydrophobicContact CG1-CB 3.85Å; V49-K67 HydrophobicContact CG1-CG 4.08Å; V49-K67 WeakPolarHBondContact O-CE 3.39Å; V49-Y259 HydrophobicContact CG1-CD1 4.41Å; V49-Y259 HydrophobicContact CG2-CD1 4.45Å; V49-Y259 HydrophobicContact CG2-CE1 4.48Å
50P86.6Confident79.9Confident21 Ų2162.1 Ų62.114%0.13630%0.302CS..PPolyproline II helixtrans-57.8136.2174.4-24.334.2000112.7L60 V66 K67 A151 V153P50-L60 HydrophobicContact CB-CD2 3.54Å; P50-L60 HydrophobicContact CG-CD2 4.44Å; P50-V66 WeakPolarHBondContact O-CA 3.41Å; P50-K67 PolarHBondContact O-N 3.3Å; P50-A151 HydrophobicContact CB-CB 4.44Å; P50-A151 HydrophobicContact CG-CB 4.24Å; P50-V153 HydrophobicContact CB-CG2 4.15Å; P50-V153 HydrophobicContact CG-CG2 4.24Å
51S88.9Confident79.9Confident3 Ų366.6 Ų66.62%0.02132%0.321CS..BIsolated β-bridgetrans-100.8121.3-175.9-168.50000110.3N53 E54 V55 K67S51-N53 PolarHBondContact O-N 2.86Å; S51-E54 WeakPolarHBondContact CB-OE1 3.37Å; S51-E54 PolarHBondContact O-N 2.93Å; S51-E54 VanDerWaalsContact O-N 3.14Å; S51-E54 VanDerWaalsContact OG-CD 3.3Å; S51-E54 PolarHBondContact OG-OE1 3.34Å; S51-V55 WeakPolarHBondContact O-CB 3.42Å; S51-V55 PolarHBondContact O-N 3.46Å; S51-K67 WeakPolarHBondContact CA-O 3.23Å; S51-K67 VanDerWaalsContact CB-CE 3.49Å
52L87.9Confident80.1Confident7 Ų762.2 Ų62.24%0.03731%0.309CS..THydrogen-bonded Turntrans-62.2-29.9176.6-173.666.7000111.5E54 L57 L60 K67 F68 P237 C239 P305 I307L52-E54 PolarHBondContact O-N 3.25Å; L52-L57 HydrophobicContact CD1-CD1 4.18Å; L52-L60 HydrophobicContact CD1-CD1 3.7Å; L52-K67 PolarHBondContact N-O 3.23Å; L52-F68 HydrophobicContact CB-CB 4.28Å; L52-F68 HydrophobicContact CB-CD2 3.95Å; L52-F68 HydrophobicContact CB-CG 4.33Å; L52-F68 HydrophobicContact CD2-CD1 4.47Å; L52-F68 HydrophobicContact CD2-CD2 4.03Å; L52-F68 HydrophobicContact CD2-CE2 4.25Å; L52-F68 HydrophobicContact CD2-CG 4.16Å; L52-F68 HydrophobicContact CG-CD2 4.35Å; L52-P237 HydrophobicContact CD1-CB 4.5Å; L52-P237 HydrophobicContact CD2-CB 4.03Å; L52-P237 HydrophobicContact CD2-CG 4.22Å; L52-P237 HydrophobicContact CG-CB 3.92Å; L52-P237 HydrophobicContact CG-CG 3.86Å; L52-C239 HydrophobicContact CD2-CB 4.04Å; L52-P305 HydrophobicContact CD1-CG 4.29Å; L52-P305 HydrophobicContact CD2-CG 3.98Å; L52-I307 HydrophobicContact CD2-CD1 3.94Å
53N87.1Confident80.8Confident40 Ų4061.6 Ų61.621%0.21431%0.308CS..THydrogen-bonded Turntrans-65.1-21.6177.1-59.593.9000114.3S51 F68 R69S51-N53 PolarHBondContact O-N 2.86Å; N53-F68 WeakPolarHBondContact OD1-CD2 3.41Å; N53-R69 PolarHBondContact ND2-O 3.05Å; N53-R69 PolarHBondContact OD1-N 3.36Å; N53-R69 PolarHBondContact OD1-O 3.32Å
54E84.1Confident82.3Confident47 Ų4755.1 Ų55.122%0.2227%0.274CS..THydrogen-bonded Turntrans-122.9-33.4-166.3-57.1158-139.900112.1S51 L52 V146 N149S51-E54 WeakPolarHBondContact CB-OE1 3.37Å; S51-E54 PolarHBondContact O-N 2.93Å; S51-E54 VanDerWaalsContact O-N 3.14Å; S51-E54 VanDerWaalsContact OG-CD 3.3Å; S51-E54 PolarHBondContact OG-OE1 3.34Å; L52-E54 PolarHBondContact O-N 3.25Å; E54-V146 HydrophobicContact CB-CG2 4.18Å; E54-V146 HydrophobicContact CG-CG2 3.77Å; E54-N149 WeakPolarHBondContact OE2-CB 3.4Å; E54-N149 PolarHBondContact OE2-ND2 2.82Å
55V83.6Confident83.4Confident16 Ų1649.7 Ų49.710%0.09725%0.245CC..SBendtrans-98.6118.7-179.9-1760000109.1S51 L57 L60 V153S51-V55 WeakPolarHBondContact O-CB 3.42Å; S51-V55 PolarHBondContact O-N 3.46Å; V55-L57 PolarHBondContact O-N 3.16Å; V55-L60 HydrophobicContact CB-CD2 4Å; V55-L60 HydrophobicContact CB-CG 4.34Å; V55-L60 HydrophobicContact CG1-CD2 3.67Å; V55-L60 HydrophobicContact CG1-CG 3.92Å; V55-V153 HydrophobicContact CG1-CB 4.16Å; V55-V153 HydrophobicContact CG1-CG1 4.45Å; V55-V153 HydrophobicContact CG1-CG2 3.93Å; V55-V153 HydrophobicContact CG2-CG2 4.01Å
56P83.2Confident84.4Confident66 Ų6649.2 Ų49.243%0.42924%0.241SC..  trans-54.4136.8172.6-26.734000112.3H58 Y59P56-H58 WeakPolarHBondContact CB-CE1 3.36Å; P56-H58 PolarHBondContact O-N 3.42Å; P56-Y59 HydrophobicContact CB-CD2 4.02Å; P56-Y59 HydrophobicContact CB-CE2 4.41Å; P56-Y59 HydrophobicContact CG-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CE2 4.28Å; P56-Y59 PolarHBondContact O-N 3.47Å
57L80.6Confident85.2Confident40 Ų4048.4 Ų48.421%0.20923%0.234CC..G310 helixtrans-50.6-36.3-173.1-177.764.4000114L52 V55 Y59 L60 L262 V264 A301 P305L52-L57 HydrophobicContact CD1-CD1 4.18Å; V55-L57 PolarHBondContact O-N 3.16Å; L57-Y59 PolarHBondContact O-N 3.41Å; L57-L60 PolarHBondContact O-N 3.48Å; L57-L262 HydrophobicContact CD1-CD1 4.09Å; L57-L262 HydrophobicContact CD1-CD2 3.96Å; L57-V264 HydrophobicContact CD1-CG2 4.31Å; L57-A301 VanDerWaalsContact CD2-O 3.26Å; L57-A301 WeakPolarHBondContact CD2-O 3.14Å; L57-P305 HydrophobicContact CD1-CB 3.9Å; L57-P305 HydrophobicContact CD1-CG 4.16Å; L57-P305 HydrophobicContact CD2-CB 4.16Å; L57-P305 HydrophobicContact CD2-CG 4.23Å
58H79.3Confident85.9Confident142 Ų14244.3 Ų44.366%0.65722%0.216SC*.G310 helixtrans-68.1-11.6-179.161-101.5000115.1P56P56-H58 WeakPolarHBondContact CB-CE1 3.36Å; P56-H58 PolarHBondContact O-N 3.42Å
59Y81.4Confident86.5Confident92 Ų9237.6 Ų37.636%0.36119%0.191SC..G310 helixtrans-92.7-20.5170.4-67.7-59.7000112.9P56 L57 V153 P155P56-Y59 HydrophobicContact CB-CD2 4.02Å; P56-Y59 HydrophobicContact CB-CE2 4.41Å; P56-Y59 HydrophobicContact CG-CD2 4.12Å; P56-Y59 HydrophobicContact CG-CE2 4.28Å; P56-Y59 PolarHBondContact O-N 3.47Å; L57-Y59 PolarHBondContact O-N 3.41Å; Y59-V153 WeakPolarHBondContact O-CG1 3.47Å; Y59-P155 HydrophobicContact CD1-CB 4.47Å; Y59-P155 HydrophobicContact CE1-CB 3.97Å; Y59-P155 HydrophobicContact CE1-CG 4.1Å
60L83.5Confident86.9Confident15 Ų1537.6 Ų37.68%0.07919%0.191CC..SBendtrans-78136.7179.1-60.5174.7000109.9P50 L52 V55 L57 V66 L262P50-L60 HydrophobicContact CB-CD2 3.54Å; P50-L60 HydrophobicContact CG-CD2 4.44Å; L52-L60 HydrophobicContact CD1-CD1 3.7Å; V55-L60 HydrophobicContact CB-CD2 4Å; V55-L60 HydrophobicContact CB-CG 4.34Å; V55-L60 HydrophobicContact CG1-CD2 3.67Å; V55-L60 HydrophobicContact CG1-CG 3.92Å; L57-L60 PolarHBondContact O-N 3.48Å; L60-V66 HydrophobicContact CD1-CG1 4.34Å; L60-V66 HydrophobicContact CD2-CG1 4.39Å; L60-L262 HydrophobicContact CB-CD2 3.52Å; L60-L262 HydrophobicContact CD1-CD2 3.97Å; L60-L262 HydrophobicContact CG-CD2 4.37Å
61K82.6Confident87.3Confident117 Ų11736.6 Ų36.651%0.50918%0.184SC..PPolyproline II helixtrans-78.4138.2176.5-69.2-176.6178-178.70109.8S64K61-S64 VanDerWaalsContact O-CB 3.3Å; K61-S64 WeakPolarHBondContact O-CB 3.37Å; K61-S64 PolarHBondContact O-N 3.11Å; K61-S64 PolarHBondContact O-OG 3.01Å
62P84.8Confident87.6Confident68 Ų6836.4 Ų36.444%0.44218%0.183SC..THydrogen-bonded Turntrans-53.7145.2166.7-23.833.8000110.9S64 V264P62-S64 PolarHBondContact O-N 3.27Å; P62-S64 VanDerWaalsContact O-N 3.15Å; P62-V264 HydrophobicContact CB-CB 4.26Å; P62-V264 HydrophobicContact CG-CB 4.27Å
63N86.3Confident87.8Confident75 Ų7536.1 Ų36.140%0.40118%0.181SC..THydrogen-bonded Turntrans59.715.3-178.1-56.9-32.3000115.6P11 L12 I261 L262P11-N63 VanDerWaalsContact CD-O 3.24Å; P11-N63 WeakPolarHBondContact CD-O 3.46Å; P11-N63 VanDerWaalsContact CG-O 3.22Å; P11-N63 WeakPolarHBondContact CG-O 3.28Å; L12-N63 HydrophobicContact CD1-CB 3.92Å; N63-I261 HydrophobicContact CB-CG2 4.42Å; N63-L262 VanDerWaalsContact CA-O 3.31Å; N63-L262 WeakPolarHBondContact CA-O 3.49Å; N63-L262 PolarHBondContact N-O 2.88Å
64S89.6Confident88Confident8 Ų834.8 Ų34.86%0.05617%0.174CC..  trans-81.6158.7172.465.10000112.7L8 K61 P62 L262L8-S64 WeakPolarHBondContact O-CB 3.35Å; K61-S64 VanDerWaalsContact O-CB 3.3Å; K61-S64 WeakPolarHBondContact O-CB 3.37Å; K61-S64 PolarHBondContact O-N 3.11Å; K61-S64 PolarHBondContact O-OG 3.01Å; P62-S64 PolarHBondContact O-N 3.27Å; P62-S64 VanDerWaalsContact O-N 3.15Å; S64-L262 PolarHBondContact O-N 2.85Å
65F91Very high88.3Confident1 Ų137.2 Ų37.20%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-83.3121.4176.4-167-96000109.9W7 L8 P11 F36 L40 V49 Y259 G260 I310W7-F65 HydrophobicContact CE3-CD1 4.15Å; W7-F65 HydrophobicContact CE3-CE1 4.39Å; W7-F65 HydrophobicContact CE3-CG 4.49Å; W7-F65 AromaticContact CZ3-CD1 3.7Å; W7-F65 HydrophobicContact CZ3-CD1 3.7Å; W7-F65 AromaticContact CZ3-CE1 3.71Å; W7-F65 HydrophobicContact CZ3-CE1 3.71Å; W7-F65 HydrophobicContact CZ3-CG 4.47Å; W7-F65 HydrophobicContact CZ3-CZ 4.47Å; L8-F65 HydrophobicContact CD2-CD1 4.28Å; L8-F65 PolarHBondContact O-N 3.28Å; P11-F65 HydrophobicContact CB-CB 4.24Å; P11-F65 HydrophobicContact CB-CD2 4.25Å; P11-F65 HydrophobicContact CG-CB 4.02Å; F36-F65 HydrophobicContact CD1-CD2 4.05Å; F36-F65 AromaticContact CD1-CE2 3.48Å; F36-F65 HydrophobicContact CD1-CE2 3.48Å; F36-F65 VanDerWaalsContact CD1-CE2 3.48Å; F36-F65 AromaticContact CD1-CZ 3.77Å; F36-F65 HydrophobicContact CD1-CZ 3.77Å; F36-F65 AromaticContact CE1-CD2 3.73Å; F36-F65 HydrophobicContact CE1-CD2 3.73Å; F36-F65 AromaticContact CE1-CE2 3.65Å; F36-F65 HydrophobicContact CE1-CE2 3.65Å; F36-F65 HydrophobicContact CE1-CG 4.42Å; F36-F65 HydrophobicContact CE1-CZ 4.29Å; F36-F65 HydrophobicContact CG-CE2 4.13Å; F36-F65 HydrophobicContact CG-CZ 4.45Å; F36-F65 HydrophobicContact CZ-CD2 4.41Å; F36-F65 HydrophobicContact CZ-CE2 4.41Å; L40-F65 HydrophobicContact CD1-CZ 4.5Å; L40-F65 HydrophobicContact CD2-CE1 4.41Å; V49-F65 HydrophobicContact CG1-CD1 3.83Å; V49-F65 HydrophobicContact CG1-CE1 4.18Å; V49-F65 HydrophobicContact CG2-CD1 4.08Å; V49-F65 HydrophobicContact CG2-CE1 4.05Å; F65-Y259 HydrophobicContact CE1-CD1 4.08Å; F65-G260 WeakPolarHBondContact CA-O 3.47Å; F65-I310 HydrophobicContact CD2-CD1 4.12Å; F65-I310 HydrophobicContact CE2-CD1 3.81Å
66V91.9Very high88.6Confident0 Ų036.7 Ų36.70%018%0.183CC..EExtended strand (participates in β ladder)trans-127.4160.8-175.8-60.70000111V49 P50 L60 Y259 G260 L262 I307V49-V66 VanDerWaalsContact CG1-C 3.47Å; P50-V66 WeakPolarHBondContact O-CA 3.41Å; L60-V66 HydrophobicContact CD1-CG1 4.34Å; L60-V66 HydrophobicContact CD2-CG1 4.39Å; V66-Y259 WeakPolarHBondContact O-CA 3.36Å; V66-G260 PolarHBondContact N-O 3.33Å; V66-G260 PolarHBondContact O-N 3.43Å; V66-L262 HydrophobicContact CG1-CB 3.93Å; V66-L262 HydrophobicContact CG1-CD2 4.24Å; V66-L262 HydrophobicContact CG2-CB 3.88Å; V66-I307 HydrophobicContact CG2-CD1 3.81Å; V66-I307 HydrophobicContact CG2-CG1 4.07Å
67K92.5Very high88.7Confident21 Ų2138.5 Ų38.59%0.09119%0.189CC..EExtended strand (participates in β ladder)trans-113.4150.7167.570.1-178.6177.2-171.50111.1P46 V49 P50 S51 L52 L258 Y259P46-K67 PolarHBondContact O-NZ 3.19Å; V49-K67 HydrophobicContact CB-CB 4.47Å; V49-K67 HydrophobicContact CB-CD 4.29Å; V49-K67 HydrophobicContact CB-CG 4.4Å; V49-K67 HydrophobicContact CG1-CB 3.85Å; V49-K67 HydrophobicContact CG1-CG 4.08Å; V49-K67 WeakPolarHBondContact O-CE 3.39Å; P50-K67 PolarHBondContact O-N 3.3Å; S51-K67 WeakPolarHBondContact CA-O 3.23Å; S51-K67 VanDerWaalsContact CB-CE 3.49Å; L52-K67 PolarHBondContact N-O 3.23Å; K67-L258 CarbonylContact C-O 3.59Å; K67-L258 WeakPolarHBondContact CA-O 3.33Å; K67-Y259 HydrophobicContact CB-CD1 3.75Å; K67-Y259 HydrophobicContact CB-CE1 3.71Å; K67-Y259 HydrophobicContact CB-CG 4.45Å; K67-Y259 HydrophobicContact CD-CE1 4.27Å
68F92.9Very high89Confident1 Ų139.6 Ų39.60%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-145.8122.6178.1-178.4-139.8000110.5L52 N53 C70 C131 P237 C239 V241 L258 I307L52-F68 HydrophobicContact CB-CB 4.28Å; L52-F68 HydrophobicContact CB-CD2 3.95Å; L52-F68 HydrophobicContact CB-CG 4.33Å; L52-F68 HydrophobicContact CD2-CD1 4.47Å; L52-F68 HydrophobicContact CD2-CD2 4.03Å; L52-F68 HydrophobicContact CD2-CE2 4.25Å; L52-F68 HydrophobicContact CD2-CG 4.16Å; L52-F68 HydrophobicContact CG-CD2 4.35Å; N53-F68 WeakPolarHBondContact OD1-CD2 3.41Å; F68-C70 HydrophobicContact CD1-CB 3.77Å; F68-C70 HydrophobicContact CD2-CB 4.4Å; F68-C70 HydrophobicContact CE1-CB 3.32Å; F68-C70 HydrophobicContact CE2-CB 4.01Å; F68-C70 HydrophobicContact CG-CB 4.29Å; F68-C70 HydrophobicContact CZ-CB 3.47Å; F68-C70 VanDerWaalsContact CZ-CB 3.47Å; F68-C131 HydrophobicContact CE1-CB 3.86Å; F68-P237 HydrophobicContact CE2-CG 3.87Å; F68-C239 HydrophobicContact CD1-CB 4.15Å; F68-C239 HydrophobicContact CE1-CB 3.52Å; F68-C239 HydrophobicContact CZ-CB 3.98Å; F68-V241 HydrophobicContact CD1-CG2 4.35Å; F68-V241 HydrophobicContact CE1-CG2 4.44Å; F68-L258 HydrophobicContact CD1-CD1 4.18Å; F68-L258 PolarHBondContact N-O 3.2Å; F68-L258 PolarHBondContact O-N 2.85Å; F68-I307 HydrophobicContact CB-CD1 3.8Å; F68-I307 HydrophobicContact CD1-CD1 4.18Å; F68-I307 HydrophobicContact CG-CD1 4.24Å
69R93.1Very high89.4Confident9 Ų935.1 Ų35.13%0.03418%0.178CC..EExtended strand (participates in β ladder)trans-94.8119.9169.7180178.268.2-93.5-0.7108.4N53 V134 E137 Y145 L256 L315N53-R69 PolarHBondContact ND2-O 3.05Å; N53-R69 PolarHBondContact OD1-N 3.36Å; N53-R69 PolarHBondContact OD1-O 3.32Å; R69-V134 HydrophobicContact CG-CG2 4.01Å; R69-E137 IonicContact CZ-OE1 3.66Å; R69-E137 IonicContact CZ-OE2 3.5Å; R69-E137 IonicContact NE-OE1 3.27Å; R69-E137 PolarHBondContact NE-OE1 3.28Å; R69-E137 IonicContact NH2-OE1 3.05Å; R69-E137 PolarHBondContact NH2-OE1 2.85Å; R69-E137 IonicContact NH2-OE2 3.46Å; R69-E137 PolarHBondContact NH2-OE2 2.93Å; R69-Y145 VanDerWaalsContact CZ-CE2 3.44Å; R69-Y145 VanDerWaalsContact NH1-CD2 3.26Å; R69-Y145 VanDerWaalsContact NH1-CG 3.27Å; R69-L256 WeakPolarHBondContact CA-O 3.38Å; R69-L315 HydrophobicContact CG-CD1 4.11Å
70C93.9Very high89.5Confident0 Ų037.2 Ų37.20%019%0.189CC..EExtended strand (participates in β ladder)trans-148.2167-171.763.50000112.7F68 C131 V132 I255 L256 L258F68-C70 HydrophobicContact CD1-CB 3.77Å; F68-C70 HydrophobicContact CD2-CB 4.4Å; F68-C70 HydrophobicContact CE1-CB 3.32Å; F68-C70 HydrophobicContact CE2-CB 4.01Å; F68-C70 HydrophobicContact CG-CB 4.29Å; F68-C70 HydrophobicContact CZ-CB 3.47Å; F68-C70 VanDerWaalsContact CZ-CB 3.47Å; C70-C131 HydrophobicContact CB-CB 3.94Å; C70-V132 CarbonylContact C-O 3.5Å; C70-V132 VanDerWaalsContact CA-O 3.27Å; C70-V132 WeakPolarHBondContact CA-O 3.42Å; C70-V132 VanDerWaalsContact CB-O 3.27Å; C70-V132 WeakPolarHBondContact CB-O 3.48Å; C70-I255 CarbonylContact O-C 3.46Å; C70-I255 WeakPolarHBondContact O-CA 3.32Å; C70-I255 WeakPolarHBondContact O-CG2 3.36Å; C70-L256 PolarHBondContact N-O 2.88Å; C70-L256 PolarHBondContact O-N 2.83Å; C70-L258 VanDerWaalsContact SG-CD1 3.5Å
71M95.1Very high89.6Confident0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-108.8136.8164.5-171.9-17477.600108.7Q73 C131 V132 P135 P230 D254 Q449 P451M71-Q73 PolarHBondContact O-N 3.36Å; M71-C131 WeakPolarHBondContact O-CA 3.48Å; M71-V132 HydrophobicContact CB-CG2 4.27Å; M71-V132 HydrophobicContact CE-CG2 4.01Å; M71-V132 PolarHBondContact N-O 3.01Å; M71-V132 PolarHBondContact O-N 3.44Å; M71-P135 HydrophobicContact CE-CG 3.65Å; M71-P135 HydrophobicContact SD-CG 4Å; M71-P230 HydrophobicContact CE-CG 4.29Å; M71-D254 WeakPolarHBondContact CA-O 3.37Å; M71-Q449 HydrophobicContact CE-CG 4.08Å; M71-P451 HydrophobicContact SD-CB 3.99Å; M71-P451 HydrophobicContact SD-CG 4.26Å
72I94.4Very high89.6Confident0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-71.1118.5169.6-58.8178.1000108F129 F250 N253 D254 L256I72-F129 HydrophobicContact CD1-CD1 4.06Å; I72-F129 HydrophobicContact CD1-CE1 4.22Å; I72-F129 HydrophobicContact CD1-CG 4.36Å; I72-F129 HydrophobicContact CG2-CB 4.35Å; I72-F129 HydrophobicContact CG2-CD1 3.77Å; I72-F129 HydrophobicContact CG2-CG 4.41Å; I72-F250 HydrophobicContact CD1-CB 3.69Å; I72-F250 HydrophobicContact CD1-CG 4.5Å; I72-N253 PolarHBondContact O-N 3.17Å; I72-D254 PolarHBondContact N-O 2.97Å; I72-L256 HydrophobicContact CD1-CD1 3.88Å; I72-L256 HydrophobicContact CD1-CG 4.38Å; I72-L256 HydrophobicContact CG1-CD1 4.21Å; I72-L256 HydrophobicContact CG1-CG 4.46Å
73Q92.3Very high89.4Confident0 Ų031.3 Ų31.30%016%0.158CC..EExtended strand (participates in β ladder)trans-95.2-42.8175.3162.4167.79200111.8M71 Y130 V132 N228 V252 S445 Q449M71-Q73 PolarHBondContact O-N 3.36Å; Q73-Y130 HydrophobicContact CB-CD1 4.27Å; Q73-Y130 HydrophobicContact CG-CD1 4.28Å; Q73-Y130 PolarHBondContact N-O 3.27Å; Q73-Y130 VanDerWaalsContact OE1-CD1 3.23Å; Q73-V132 HydrophobicContact CB-CG1 4.07Å; Q73-V132 HydrophobicContact CB-CG2 3.99Å; Q73-N228 PolarHBondContact NE2-O 3.38Å; Q73-N228 PolarHBondContact OE1-ND2 2.95Å; Q73-N228 PolarHBondContact OE1-O 3.44Å; Q73-N228 VanDerWaalsContact OE1-O 3.12Å; Q73-V252 WeakPolarHBondContact O-CG1 3.32Å; Q73-S445 VanDerWaalsContact NE2-CB 3.29Å; Q73-Q449 PolarHBondContact O-NE2 3.13Å
74D91.9Very high89.3Confident13 Ų1328.4 Ų28.47%0.0714%0.143CC..EExtended strand (participates in β ladder)trans-139.9156.4-178.8-158.77.4000111.2F76 F129 Y130 L443D74-F76 HydrophobicContact CB-CE1 4.23Å; D74-F76 VanDerWaalsContact OD2-CE1 3.3Å; D74-F76 WeakPolarHBondContact OD2-CE1 3.34Å; D74-F129 WeakPolarHBondContact O-CA 3.26Å; D74-Y130 PolarHBondContact N-O 2.76Å; D74-Y130 PolarHBondContact O-N 3.18Å; D74-L443 HydrophobicContact CB-CB 4.16Å; D74-L443 VanDerWaalsContact CG-CB 3.44Å; D74-L443 WeakPolarHBondContact OD1-CB 3.42Å; D74-L443 WeakPolarHBondContact OD2-CB 3.38Å; D74-L443 PolarHBondContact OD2-N 2.79Å
75M91.3Very high89Confident97 Ų9728 Ų2848%0.47814%0.141SC..EExtended strand (participates in β ladder)trans-124.4110.7176.6-176.1179.581.200107.1F129M75-F129 HydrophobicContact CB-CD1 4.03Å; M75-F129 HydrophobicContact CB-CE1 4.13Å; M75-F129 HydrophobicContact CG-CD1 3.91Å; M75-F129 HydrophobicContact CG-CE1 3.64Å; M75-F129 HydrophobicContact SD-CE1 3.91Å
76F88.9Confident88.6Confident6 Ų628.2 Ų28.23%0.02614%0.141CC..PPolyproline II helixtrans-81.2173.9178.7-63.7-24.6000110.9D74 Q127 T128 Y130 L240 V296 H297D74-F76 HydrophobicContact CB-CE1 4.23Å; D74-F76 VanDerWaalsContact OD2-CE1 3.3Å; D74-F76 WeakPolarHBondContact OD2-CE1 3.34Å; F76-Q127 PolarHBondContact O-NE2 3.49Å; F76-T128 HydrophobicContact CD2-CG2 3.91Å; F76-T128 PolarHBondContact N-O 3.24Å; F76-T128 VanDerWaalsContact N-O 3.14Å; F76-Y130 HydrophobicContact CZ-CD2 4.28Å; F76-L240 HydrophobicContact CD2-CD2 4.21Å; F76-L240 HydrophobicContact CE2-CD2 3.61Å; F76-V296 HydrophobicContact CZ-CG1 4.15Å; F76-H297 WeakPolarHBondContact CB-CE1 3.19Å; F76-H297 WeakPolarHBondContact CB-NE2 3.38Å; F76-H297 AromaticContact CD1-CE1 3.73Å; F76-H297 AromaticContact CD1-ND1 3.94Å; F76-H297 AromaticContact CD1-NE2 2.81Å; F76-H297 WeakPolarHBondContact CD1-NE2 3.49Å; F76-H297 AromaticContact CD2-CE1 2.48Å; F76-H297 WeakPolarHBondContact CD2-CE1 3.46Å; F76-H297 AromaticContact CD2-ND1 3.2Å; F76-H297 WeakPolarHBondContact CD2-ND1 3.36Å; F76-H297 AromaticContact CD2-NE2 3.52Å; F76-H297 AromaticContact CE1-NE2 3.39Å; F76-H297 WeakPolarHBondContact CE1-NE2 3.47Å; F76-H297 AromaticContact CE2-CE1 3.01Å; F76-H297 WeakPolarHBondContact CE2-CE1 3.24Å; F76-H297 AromaticContact CE2-ND1 3.46Å; F76-H297 WeakPolarHBondContact CE2-ND1 3.08Å; F76-H297 AromaticContact CE2-NE2 3.98Å; F76-H297 AromaticContact CG-CE1 2.92Å; F76-H297 WeakPolarHBondContact CG-CE1 3.35Å; F76-H297 AromaticContact CG-ND1 3.46Å; F76-H297 WeakPolarHBondContact CG-ND1 3.46Å; F76-H297 AromaticContact CG-NE2 2.89Å; F76-H297 WeakPolarHBondContact CG-NE2 3.42Å; F76-H297 AromaticContact CZ-CE1 3.8Å; F76-H297 AromaticContact CZ-ND1 3.95Å; F76-H297 AromaticContact CZ-NE2 3.93Å
77D85.8Confident88.1Confident104 Ų10428.2 Ų28.256%0.55614%0.141SC*.PPolyproline II helixtrans-65.7149.8173.2-61.9-65.1000111E79 N441D77-E79 PolarHBondContact O-N 3.45Å; D77-N441 PolarHBondContact OD2-ND2 3.34Å
78P87.3Confident87.6Confident63 Ų6328.8 Ų28.841%0.40915%0.147SC..PPolyproline II helixtrans-61.6134.9179-23.533.8000112.7
79E86.1Confident87Confident47 Ų4730.2 Ų30.222%0.2215%0.154CC..EExtended strand (participates in β ladder)trans-88.5134.7174.8-66.2175-154.900110.5D77 E125 R126 T128 K242D77-E79 PolarHBondContact O-N 3.45Å; E79-E125 CarbonylContact O-C 3.54Å; E79-E125 WeakPolarHBondContact O-CA 3Å; E79-R126 HydrophobicContact CB-CG 3.88Å; E79-R126 PolarHBondContact N-O 2.88Å; E79-R126 PolarHBondContact O-N 2.99Å; E79-R126 IonicContact OE2-CZ 3.77Å; E79-R126 IonicContact OE2-NE 3.36Å; E79-R126 PolarHBondContact OE2-NE 2.72Å; E79-R126 IonicContact OE2-NH2 2.75Å; E79-R126 PolarHBondContact OE2-NH2 3.37Å; E79-T128 VanDerWaalsContact CD-OG1 3.23Å; E79-T128 PolarHBondContact OE1-OG1 3.36Å; E79-K242 VanDerWaalsContact CD-NZ 3.28Å; E79-K242 WeakPolarHBondContact OE1-CE 3.38Å; E79-K242 IonicContact OE1-NZ 2.74Å; E79-K242 PolarHBondContact OE1-NZ 2.88Å; E79-K242 WeakPolarHBondContact OE2-CE 3.48Å; E79-K242 IonicContact OE2-NZ 3.41Å; E79-K242 PolarHBondContact OE2-NZ 3.48Å
80F84.6Confident86.1Confident137 Ų13734.9 Ų34.960%0.60118%0.176SC*.EExtended strand (participates in β ladder)trans-83.3143.3164.8-65.2-71.7000110.7T123 L124 E125F80-T123 HydrophobicContact CB-CG2 3.99Å; F80-T123 HydrophobicContact CD1-CG2 4.24Å; F80-T123 HydrophobicContact CG-CG2 4.47Å; F80-L124 CarbonylContact C-O 3.59Å; F80-L124 WeakPolarHBondContact CA-O 3.49Å; F80-E125 HydrophobicContact CD1-CB 4.18Å; F80-E125 HydrophobicContact CE1-CB 4.1Å
81Y84.7Confident85.3Confident22 Ų2240.2 Ų40.29%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-147.2157.6176.577.2-76.1000111.4G83 K101 T123 L124 E125 R126 Y244Y81-G83 PolarHBondContact O-N 2.97Å; Y81-G83 VanDerWaalsContact O-N 3.15Å; Y81-K101 HydrophobicContact CE2-CB 4.32Å; Y81-T123 WeakPolarHBondContact O-CA 3.26Å; Y81-L124 HydrophobicContact CD1-CB 4.25Å; Y81-L124 VanDerWaalsContact CD1-O 3.27Å; Y81-L124 WeakPolarHBondContact CD1-O 3.47Å; Y81-L124 HydrophobicContact CE1-CB 3.55Å; Y81-L124 PolarHBondContact N-O 2.84Å; Y81-L124 PolarHBondContact O-N 3.06Å; Y81-L124 WeakPolarHBondContact OH-CD1 3.32Å; Y81-E125 WeakPolarHBondContact CE1-O 3.25Å; Y81-R126 HydrophobicContact CD1-CB 4.09Å; Y81-R126 HydrophobicContact CD1-CG 3.94Å; Y81-R126 HydrophobicContact CE1-CB 4Å; Y81-R126 HydrophobicContact CE1-CG 4.36Å; Y81-Y244 HydrophobicContact CD1-CE1 4.27Å; Y81-Y244 HydrophobicContact CD2-CE1 4.43Å; Y81-Y244 AromaticContact CE1-CD1 3.75Å; Y81-Y244 HydrophobicContact CE1-CD1 3.75Å; Y81-Y244 AromaticContact CE1-CE1 3.67Å; Y81-Y244 HydrophobicContact CE1-CE1 3.67Å; Y81-Y244 HydrophobicContact CE2-CD1 4.38Å; Y81-Y244 AromaticContact CE2-CE1 3.84Å; Y81-Y244 HydrophobicContact CE2-CE1 3.84Å; Y81-Y244 AromaticContact CZ-CD1 3.58Å; Y81-Y244 AromaticContact CZ-CE1 3.45Å; Y81-Y244 VanDerWaalsContact CZ-CE1 3.45Å; Y81-Y244 WeakPolarHBondContact OH-CD1 3.46Å
82M82.7Confident84.5Confident49 Ų4944.8 Ų44.824%0.24123%0.233CC..EExtended strand (participates in β ladder)trans-76.5101.6175.1-55.9-177.487.700110.1Y85 G100 L114 L116 N121 T122M82-Y85 HydrophobicContact CB-CD1 4.15Å; M82-Y85 HydrophobicContact CB-CG 4.49Å; M82-G100 VanDerWaalsContact O-CA 3.23Å; M82-G100 WeakPolarHBondContact O-CA 3.5Å; M82-G100 PolarHBondContact O-N 3.19Å; M82-L114 HydrophobicContact CE-CD1 4.11Å; M82-L114 HydrophobicContact CE-CD2 4.23Å; M82-L114 HydrophobicContact CE-CG 4.38Å; M82-L114 HydrophobicContact SD-CD1 4.04Å; M82-L114 HydrophobicContact SD-CD2 3.74Å; M82-L114 HydrophobicContact SD-CG 4.37Å; M82-L116 HydrophobicContact CE-CD2 4.39Å; M82-N121 HydrophobicContact CE-CB 4.2Å; M82-T122 CarbonylContact C-O 3.58Å
83G81.8Confident83.6Confident4 Ų452.6 Ų52.64%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-61.9-51.8178.200000112.6Y81 F99 G100 T122Y81-G83 PolarHBondContact O-N 2.97Å; Y81-G83 VanDerWaalsContact O-N 3.15Å; G83-F99 WeakPolarHBondContact O-CA 3.42Å; G83-G100 PolarHBondContact O-N 3.44Å; G83-T122 WeakPolarHBondContact CA-O 3.36Å; G83-T122 PolarHBondContact N-O 3.48Å
84V84.1Confident82.8Confident14 Ų1454.7 Ų54.79%0.08528%0.284CS..EExtended strand (participates in β ladder)trans-125.7136169.4176.80000107.4F19 L97 H98 N121 T122F19-V84 HydrophobicContact CE2-CG2 4.08Å; F19-V84 HydrophobicContact CZ-CG1 4.31Å; F19-V84 HydrophobicContact CZ-CG2 4.38Å; V84-L97 HydrophobicContact CG1-CD2 4.21Å; V84-H98 WeakPolarHBondContact CA-O 3.3Å; V84-N121 WeakPolarHBondContact O-CA 3.43Å; V84-T122 PolarHBondContact N-O 2.91Å; V84-T122 PolarHBondContact O-N 2.92Å
85Y82.3Confident82.2Confident1 Ų159 Ų590%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-142.3159.1177.865.7-90.6000112M82 T87 H98 A106 E107 L114 N121M82-Y85 HydrophobicContact CB-CD1 4.15Å; M82-Y85 HydrophobicContact CB-CG 4.49Å; Y85-T87 HydrophobicContact CD2-CG2 3.96Å; Y85-T87 HydrophobicContact CE2-CG2 3.69Å; Y85-H98 HydrophobicContact CD1-CB 4.26Å; Y85-H98 HydrophobicContact CD2-CB 4.01Å; Y85-H98 HydrophobicContact CE1-CB 3.73Å; Y85-H98 HydrophobicContact CE2-CB 3.48Å; Y85-H98 VanDerWaalsContact CE2-CB 3.48Å; Y85-H98 AromaticContact CE2-CG 3.85Å; Y85-H98 HydrophobicContact CG-CB 4.37Å; Y85-H98 AromaticContact CZ-CG 3.97Å; Y85-H98 PolarHBondContact N-O 3.1Å; Y85-H98 PolarHBondContact O-N 2.92Å; Y85-H98 WeakPolarHBondContact OH-CB 3.4Å; Y85-A106 HydrophobicContact CE1-CB 4.15Å; Y85-A106 HydrophobicContact CE2-CB 4.01Å; Y85-E107 WeakPolarHBondContact OH-CA 3.42Å; Y85-E107 WeakPolarHBondContact OH-CB 3.45Å; Y85-E107 PolarHBondContact OH-N 3.39Å; Y85-E107 PolarHBondContact OH-O 3.45Å; Y85-E107 VanDerWaalsContact OH-O 3.13Å; Y85-L114 HydrophobicContact CD2-CD1 3.32Å; Y85-L114 HydrophobicContact CE2-CD1 4.07Å; Y85-L114 HydrophobicContact CG-CD1 3.89Å; Y85-N121 WeakPolarHBondContact CA-OD1 3.5Å
86E83.2Confident81.7Confident5 Ų557.2 Ų57.22%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-111.9133.2-177.9-165167.4160.600111.5H95 V96 L97 D115 S118 R120 N121E86-H95 HydrophobicContact CG-CB 4.48Å; E86-H95 VanDerWaalsContact OE1-CB 3.28Å; E86-H95 WeakPolarHBondContact OE1-CB 3.49Å; E86-H95 IonicContact OE1-CE1 3.8Å; E86-H95 IonicContact OE1-CG 3.29Å; E86-H95 VanDerWaalsContact OE1-CG 3.29Å; E86-H95 IonicContact OE1-ND1 2.68Å; E86-H95 PolarHBondContact OE1-ND1 3.12Å; E86-V96 WeakPolarHBondContact CA-O 3.09Å; E86-L97 HydrophobicContact CB-CD2 4.05Å; E86-L97 HydrophobicContact CG-CD2 4.18Å; E86-D115 PolarHBondContact O-N 3.45Å; E86-S118 WeakPolarHBondContact OE2-CB 3.4Å; E86-S118 PolarHBondContact OE2-OG 2.74Å; E86-R120 IonicContact OE1-CZ 2.69Å; E86-R120 IonicContact OE1-NE 3.67Å; E86-R120 IonicContact OE1-NH2 3.24Å; E86-R120 PolarHBondContact OE1-NH2 2.81Å; E86-R120 IonicContact OE2-CZ 2.65Å; E86-R120 VanDerWaalsContact OE2-CZ 3.27Å; E86-R120 IonicContact OE2-NE 3.09Å; E86-R120 PolarHBondContact OE2-NE 2.99Å; E86-R120 IonicContact OE2-NH2 2.97Å; E86-R120 PolarHBondContact OE2-NH2 2.8Å; E86-N121 PolarHBondContact N-OD1 3.49Å; E86-N121 VanDerWaalsContact N-OD1 3.09Å
87T81.9Confident81.4Confident0 Ų059.1 Ų59.10%031%0.309CS..EExtended strand (participates in β ladder)trans-112.9143.8170.870.60000110.9Y85 H95 V96 H98 Q112 E113Y85-T87 HydrophobicContact CD2-CG2 3.96Å; Y85-T87 HydrophobicContact CE2-CG2 3.69Å; T87-H95 WeakPolarHBondContact O-CA 3.35Å; T87-V96 PolarHBondContact N-O 3.07Å; T87-V96 PolarHBondContact O-N 3.47Å; T87-H98 PolarHBondContact OG1-CD2 3.19Å; T87-H98 PolarHBondContact OG1-NE2 3.48Å; T87-Q112 PolarHBondContact OG1-NE2 3.22Å; T87-E113 CarbonylContact C-O 3.52Å; T87-E113 VanDerWaalsContact CA-O 3.24Å; T87-E113 WeakPolarHBondContact CA-O 3.47Å
88V81.8Confident81.2Confident33 Ų3355 Ų5520%0.229%0.286CS..EExtended strand (participates in β ladder)trans-112.7120.6177.4-179.80000108.5Q90 Q112 E113 D115V88-Q90 PolarHBondContact O-N 2.9Å; V88-Q112 WeakPolarHBondContact O-CA 3.16Å; V88-E113 PolarHBondContact N-O 2.97Å; V88-E113 PolarHBondContact O-N 2.73Å; V88-D115 HydrophobicContact CG2-CB 3.94Å
89N80.5Confident81Confident31 Ų3152 Ų5217%0.16627%0.266CS..EExtended strand (participates in β ladder)trans-72.8119.5171.1-177.1-65.6000109.7N91 T92 K93 A94 Q111 Q112N89-N91 PolarHBondContact O-N 2.85Å; N89-N91 WeakPolarHBondContact OD1-CB 3.27Å; N89-N91 PolarHBondContact OD1-N 3.01Å; N89-T92 WeakPolarHBondContact CB-OG1 3.23Å; N89-T92 PolarHBondContact O-N 3.42Å; N89-T92 PolarHBondContact OD1-N 3.42Å; N89-T92 PolarHBondContact OD1-OG1 3.27Å; N89-K93 VanDerWaalsContact O-CA 3.24Å; N89-K93 WeakPolarHBondContact O-CA 3.5Å; N89-K93 PolarHBondContact O-N 3.49Å; N89-A94 PolarHBondContact N-O 3.35Å; N89-Q111 WeakPolarHBondContact CA-O 3.43Å; N89-Q112 HydrophobicContact CB-CG 4.16Å
90Q74.6Confident80.8Confident107 Ų10750 Ų5050%0.526%0.259SS..THydrogen-bonded Turntrans-58.8-33.2-175.5-69.6-176.5-25.700113.3V88 Q111 E113V88-Q90 PolarHBondContact O-N 2.9Å; Q90-Q111 PolarHBondContact N-O 3.48Å; Q90-E113 PolarHBondContact NE2-OE1 3.35Å; Q90-E113 PolarHBondContact NE2-OE2 3.05Å
91N76.8Confident80.8Confident112 Ų11243.7 Ų43.760%0.59923%0.231SC*.THydrogen-bonded Turntrans-84.7-37.9-174.5-69.9-37.7000113.1N89 Q111N89-N91 PolarHBondContact O-N 2.85Å; N89-N91 WeakPolarHBondContact OD1-CB 3.27Å; N89-N91 PolarHBondContact OD1-N 3.01Å; N91-Q111 PolarHBondContact ND2-NE2 3.2Å; N91-Q111 PolarHBondContact ND2-OE1 2.87Å
92T77.1Confident80.9Confident95 Ų9542.7 Ų42.758%0.58323%0.227SC*.THydrogen-bonded Turntrans-102.6-13.1-176.2610000113.7N89 A94N89-T92 WeakPolarHBondContact CB-OG1 3.23Å; N89-T92 PolarHBondContact O-N 3.42Å; N89-T92 PolarHBondContact OD1-N 3.42Å; N89-T92 PolarHBondContact OD1-OG1 3.27Å; T92-A94 PolarHBondContact O-N 2.99Å; T92-A94 VanDerWaalsContact O-N 3.14Å; T92-A94 VanDerWaalsContact OG1-CB 3.23Å; T92-A94 WeakPolarHBondContact OG1-CB 3.46Å; T92-A94 PolarHBondContact OG1-N 3.31Å
93K76.1Confident80.9Confident164 Ų16442.2 Ų42.271%0.71322%0.223SC*.  trans50.826.1-165-57.6-172.5177.5-171.70112.8N89 H95N89-K93 VanDerWaalsContact O-CA 3.24Å; N89-K93 WeakPolarHBondContact O-CA 3.5Å; N89-K93 PolarHBondContact O-N 3.49Å; K93-H95 PolarHBondContact O-CD2 3.25Å
94A76.4Confident80.6Confident45 Ų4543.4 Ų43.437%0.37223%0.228SC..  trans-76.3126.7174.100000109.1N89 T92N89-A94 PolarHBondContact N-O 3.35Å; T92-A94 PolarHBondContact O-N 2.99Å; T92-A94 VanDerWaalsContact O-N 3.14Å; T92-A94 VanDerWaalsContact OG1-CB 3.23Å; T92-A94 WeakPolarHBondContact OG1-CB 3.46Å; T92-A94 PolarHBondContact OG1-N 3.31Å
95H78.8Confident80.2Confident104 Ų10445.4 Ų45.448%0.48124%0.241SC..EExtended strand (participates in β ladder)trans-91.2123.8177.5-72.4-104.2000109.5E86 T87 K93E86-H95 HydrophobicContact CG-CB 4.48Å; E86-H95 VanDerWaalsContact OE1-CB 3.28Å; E86-H95 WeakPolarHBondContact OE1-CB 3.49Å; E86-H95 IonicContact OE1-CE1 3.8Å; E86-H95 IonicContact OE1-CG 3.29Å; E86-H95 VanDerWaalsContact OE1-CG 3.29Å; E86-H95 IonicContact OE1-ND1 2.68Å; E86-H95 PolarHBondContact OE1-ND1 3.12Å; T87-H95 WeakPolarHBondContact O-CA 3.35Å; K93-H95 PolarHBondContact O-CD2 3.25Å
96V80.4Confident79.8Confident59 Ų5947 Ų4736%0.35825%0.254SS..EExtended strand (participates in β ladder)trans-122.6130-179.4-174.60000109.4E86 T87 H98E86-V96 WeakPolarHBondContact CA-O 3.09Å; T87-V96 PolarHBondContact N-O 3.07Å; T87-V96 PolarHBondContact O-N 3.47Å; V96-H98 WeakPolarHBondContact CG1-NE2 3.5Å; V96-H98 PolarHBondContact O-CD2 3.47Å
97L82.1Confident79.1Confident46 Ų4651.2 Ų51.224%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-89.9132.7173.8-71.2170000110.3V24 V84 E86 R120V24-L97 HydrophobicContact CG2-CD1 4.41Å; V84-L97 HydrophobicContact CG1-CD2 4.21Å; E86-L97 HydrophobicContact CB-CD2 4.05Å; E86-L97 HydrophobicContact CG-CD2 4.18Å; L97-R120 HydrophobicContact CD2-CB 4.05Å
98H81.6Confident78.2Confident16 Ų1654 Ų547%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-123.8163.5178.1-63-102.9000110.2V84 Y85 T87 V96V84-H98 WeakPolarHBondContact CA-O 3.3Å; Y85-H98 HydrophobicContact CD1-CB 4.26Å; Y85-H98 HydrophobicContact CD2-CB 4.01Å; Y85-H98 HydrophobicContact CE1-CB 3.73Å; Y85-H98 HydrophobicContact CE2-CB 3.48Å; Y85-H98 VanDerWaalsContact CE2-CB 3.48Å; Y85-H98 AromaticContact CE2-CG 3.85Å; Y85-H98 HydrophobicContact CG-CB 4.37Å; Y85-H98 AromaticContact CZ-CG 3.97Å; Y85-H98 PolarHBondContact N-O 3.1Å; Y85-H98 PolarHBondContact O-N 2.92Å; Y85-H98 WeakPolarHBondContact OH-CB 3.4Å; T87-H98 PolarHBondContact OG1-CD2 3.19Å; T87-H98 PolarHBondContact OG1-NE2 3.48Å; V96-H98 WeakPolarHBondContact CG1-NE2 3.5Å; V96-H98 PolarHBondContact O-CD2 3.47Å
99F83.8Confident77.5Confident0 Ų053.3 Ų53.30%029%0.292CS..EExtended strand (participates in β ladder)trans-111.5138.5171.171.3-86.6000109.9L12 V15 Q16 F19 W28 G83 K101L12-F99 HydrophobicContact CD2-CE2 4.42Å; L12-F99 HydrophobicContact CD2-CZ 4.46Å; V15-F99 HydrophobicContact CB-CE2 4.21Å; V15-F99 HydrophobicContact CB-CZ 3.86Å; V15-F99 HydrophobicContact CG1-CD2 4.13Å; V15-F99 HydrophobicContact CG1-CE1 4.18Å; V15-F99 HydrophobicContact CG1-CE2 3.49Å; V15-F99 VanDerWaalsContact CG1-CE2 3.49Å; V15-F99 HydrophobicContact CG1-CZ 3.52Å; Q16-F99 HydrophobicContact CB-CE1 3.87Å; Q16-F99 HydrophobicContact CG-CE1 4.46Å; F19-F99 HydrophobicContact CB-CD1 4.15Å; F19-F99 HydrophobicContact CD1-CD1 4.11Å; F19-F99 HydrophobicContact CD2-CB 4.17Å; F19-F99 HydrophobicContact CE2-CB 4.2Å; F19-F99 HydrophobicContact CG-CB 4.37Å; F19-F99 HydrophobicContact CG-CD1 4.07Å; F19-F99 HydrophobicContact CZ-CB 4.42Å; W28-F99 HydrophobicContact CH2-CB 4.45Å; W28-F99 HydrophobicContact CH2-CD2 4.33Å; W28-F99 HydrophobicContact CH2-CG 4.48Å; W28-F99 HydrophobicContact CZ2-CB 4.4Å; G83-F99 WeakPolarHBondContact O-CA 3.42Å; F99-K101 HydrophobicContact CD2-CB 4.31Å; F99-K101 VanDerWaalsContact CD2-O 3.24Å; F99-K101 WeakPolarHBondContact CD2-O 3.04Å; F99-K101 WeakPolarHBondContact CE2-O 3.06Å
100G82.4Confident76.6Confident7 Ų758.8 Ų58.87%0.07233%0.329CS..  trans-98.2-5.8174.200000114.4M82 G83 Y102 R103M82-G100 VanDerWaalsContact O-CA 3.23Å; M82-G100 WeakPolarHBondContact O-CA 3.5Å; M82-G100 PolarHBondContact O-N 3.19Å; G83-G100 PolarHBondContact O-N 3.44Å; G100-Y102 PolarHBondContact O-N 3.48Å; G100-R103 PolarHBondContact O-N 3.48Å
101K84.6Confident76.1Confident3 Ų358.5 Ų58.51%0.01333%0.328CS..THydrogen-bonded Turntrans-59.3138174.6-156.1173.4-171.1177.70109.9W28 E29 Y81 F99 R103 Y244 E245W28-K101 HydrophobicContact CH2-CB 4.05Å; W28-K101 HydrophobicContact CH2-CD 4.03Å; E29-K101 HydrophobicContact CG-CD 4.33Å; E29-K101 WeakPolarHBondContact OE1-CD 3.42Å; E29-K101 IonicContact OE1-NZ 3.76Å; E29-K101 IonicContact OE2-NZ 2.67Å; E29-K101 PolarHBondContact OE2-NZ 2.94Å; Y81-K101 HydrophobicContact CE2-CB 4.32Å; F99-K101 HydrophobicContact CD2-CB 4.31Å; F99-K101 VanDerWaalsContact CD2-O 3.24Å; F99-K101 WeakPolarHBondContact CD2-O 3.04Å; F99-K101 WeakPolarHBondContact CE2-O 3.06Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.98Å; K101-Y244 VanDerWaalsContact CE-CB 3.47Å; K101-Y244 HydrophobicContact CG-CD1 3.84Å; K101-Y244 HydrophobicContact CG-CD2 4.36Å; K101-Y244 HydrophobicContact CG-CE1 3.95Å; K101-Y244 HydrophobicContact CG-CE2 4.49Å; K101-Y244 HydrophobicContact CG-CG 4.04Å; K101-E245 IonicContact NZ-OE1 2.94Å; K101-E245 PolarHBondContact NZ-OE1 3Å
102Y85.4Confident75.9Confident2 Ų255.4 Ų55.41%0.00831%0.31CS..THydrogen-bonded Turntrans61.825.4-173.3-37-71000116.6V15 V32 G100 Y244 I261 H308 V309 I310V15-Y102 HydrophobicContact CG1-CD2 4.19Å; V15-Y102 HydrophobicContact CG1-CE2 4.25Å; V15-Y102 HydrophobicContact CG2-CD2 4.35Å; V15-Y102 HydrophobicContact CG2-CE2 4.46Å; V32-Y102 HydrophobicContact CG1-CE2 4.44Å; G100-Y102 PolarHBondContact O-N 3.48Å; Y102-Y244 WeakPolarHBondContact CA-OH 3.29Å; Y102-Y244 AromaticContact CD1-CD2 3.94Å; Y102-Y244 HydrophobicContact CD1-CD2 3.94Å; Y102-Y244 AromaticContact CD1-CE2 3.7Å; Y102-Y244 HydrophobicContact CD1-CE2 3.7Å; Y102-Y244 AromaticContact CE1-CD2 3.9Å; Y102-Y244 HydrophobicContact CE1-CD2 3.9Å; Y102-Y244 HydrophobicContact CE1-CE2 4.16Å; Y102-Y244 HydrophobicContact CG-CE2 4.47Å; Y102-Y244 VanDerWaalsContact N-CZ 3.34Å; Y102-Y244 PolarHBondContact N-OH 3.33Å; Y102-I261 HydrophobicContact CG-CD1 4.46Å; Y102-H308 HydrophobicContact CD1-CB 4.12Å; Y102-H308 PolarHBondContact O-CD2 2.88Å; Y102-V309 WeakPolarHBondContact CE1-O 3.44Å; Y102-I310 HydrophobicContact CD1-CG1 3.87Å; Y102-I310 HydrophobicContact CE1-CB 4.45Å; Y102-I310 HydrophobicContact CE1-CG1 3.63Å; Y102-I310 HydrophobicContact CG-CG1 4.46Å
103R82.9Confident75.8Confident38 Ų3856.4 Ų56.414%0.14331%0.308CS..  trans-133.9149.9174.2-56.9176.4-174.9-124.220111.3L12 G100 K101 E107 R126 H308L12-R103 HydrophobicContact CD2-CG 4.36Å; G100-R103 PolarHBondContact O-N 3.48Å; K101-R103 VanDerWaalsContact C-N 3.31Å; K101-R103 PolarHBondContact O-N 2.98Å; R103-E107 IonicContact CZ-OE2 3.1Å; R103-E107 IonicContact NH1-OE2 2.71Å; R103-E107 PolarHBondContact NH1-OE2 3.33Å; R103-E107 IonicContact NH2-OE2 2.75Å; R103-E107 PolarHBondContact NH2-OE2 2.97Å; R103-R126 PolarHBondContact O-NH1 3.01Å; R103-H308 WeakPolarHBondContact CA-NE2 3.1Å; R103-H308 PolarHBondContact O-CE1 3.09Å
104D76.4Confident75.8Confident29 Ų2951.1 Ų51.116%0.15529%0.287CS..SBendtrans-89.5-37.5170.9-74.2-50.9000112.2R126 K242 S263 L268 R306 H308D104-R126 IonicContact OD1-NH2 3.99Å; D104-K242 WeakPolarHBondContact OD1-CE 3.46Å; D104-K242 IonicContact OD1-NZ 3.38Å; D104-K242 PolarHBondContact OD1-NZ 3.48Å; D104-S263 WeakPolarHBondContact OD2-CB 3.29Å; D104-S263 PolarHBondContact OD2-OG 3.45Å; D104-L268 HydrophobicContact CB-CD1 3.84Å; D104-R306 WeakPolarHBondContact OD2-CD 3.27Å; D104-H308 PolarHBondContact N-NE2 3.41Å; D104-H308 IonicContact OD1-CE1 2.71Å; D104-H308 PolarHBondContact OD1-CE1 2.73Å; D104-H308 IonicContact OD1-NE2 3.88Å; D104-H308 IonicContact OD2-CE1 3.48Å; D104-H308 IonicContact OD2-NE2 2.74Å; D104-H308 PolarHBondContact OD2-NE2 3.27Å
105V76.3Confident75.9Confident57 Ų5751.1 Ų51.135%0.34528%0.281SS..SBendtrans-114.8140.6-178.3-174.90000109.9E107 D265 L268V105-E107 PolarHBondContact O-N 3.35Å; V105-D265 HydrophobicContact CG2-CB 4.46Å; V105-L268 HydrophobicContact CG2-CD2 4.07Å; V105-L268 HydrophobicContact CG2-CG 4.35Å
106A73.2Confident75.6Confident34 Ų3452.1 Ų52.128%0.28129%0.289SS..  trans-65.4120.3172.400000110.4Y85 C108Y85-A106 HydrophobicContact CE1-CB 4.15Å; Y85-A106 HydrophobicContact CE2-CB 4.01Å; A106-C108 PolarHBondContact O-N 2.97Å
107E68.9Low75.3Confident93 Ų9356.5 Ų56.544%0.43531%0.311SS..  trans-62.7107172.7-180173.1-16100110.1Y85 R103 V105Y85-E107 WeakPolarHBondContact OH-CA 3.42Å; Y85-E107 WeakPolarHBondContact OH-CB 3.45Å; Y85-E107 PolarHBondContact OH-N 3.39Å; Y85-E107 PolarHBondContact OH-O 3.45Å; Y85-E107 VanDerWaalsContact OH-O 3.13Å; R103-E107 IonicContact CZ-OE2 3.1Å; R103-E107 IonicContact NH1-OE2 2.71Å; R103-E107 PolarHBondContact NH1-OE2 3.33Å; R103-E107 IonicContact NH2-OE2 2.75Å; R103-E107 PolarHBondContact NH2-OE2 2.97Å; V105-E107 PolarHBondContact O-N 3.35Å
108C62.3Low74.9Confident59 Ų5954.8 Ų54.840%0.39930%0.302SS..  trans-118.7119.9170.9-59.50000108A106A106-C108 PolarHBondContact O-N 2.97Å
109G66.6Low74.6Confident19 Ų1960.3 Ų60.320%0.19634%0.34CS..  trans-66.2162.4171.400000111.7Q111 Q112G109-Q111 PolarHBondContact O-N 3Å; G109-Q112 VanDerWaalsContact N-OE1 3.15Å; G109-Q112 PolarHBondContact O-N 3.32Å
110P61.2Low74.2Confident145 Ų14565.9 Ų65.994%0.94236%0.361SS*.THydrogen-bonded Turntrans-667.1-173.327.6-37000116
111Q65.7Low74.1Confident102 Ų10267.1 Ų67.148%0.47737%0.365SS..THydrogen-bonded Turntrans-14218175.3-61.5-174.4-18.700111.8N89 Q90 N91 G109N89-Q111 WeakPolarHBondContact CA-O 3.43Å; Q90-Q111 PolarHBondContact N-O 3.48Å; N91-Q111 PolarHBondContact ND2-NE2 3.2Å; N91-Q111 PolarHBondContact ND2-OE1 2.87Å; G109-Q111 PolarHBondContact O-N 3Å
112Q72.9Confident74.1Confident46 Ų4669.8 Ų69.822%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-118.1131.2179.3-73.1174.3-69.100109.1T87 V88 N89 G109T87-Q112 PolarHBondContact OG1-NE2 3.22Å; V88-Q112 WeakPolarHBondContact O-CA 3.16Å; N89-Q112 HydrophobicContact CB-CG 4.16Å; G109-Q112 VanDerWaalsContact N-OE1 3.15Å; G109-Q112 PolarHBondContact O-N 3.32Å
113E73.9Confident74Confident116 Ų11674.3 Ų74.354%0.54241%0.41SS..EExtended strand (participates in β ladder)trans-110151.6171.2-75.4174.1149.900110.2T87 V88 Q90T87-E113 CarbonylContact C-O 3.52Å; T87-E113 VanDerWaalsContact CA-O 3.24Å; T87-E113 WeakPolarHBondContact CA-O 3.47Å; V88-E113 PolarHBondContact N-O 2.97Å; V88-E113 PolarHBondContact O-N 2.73Å; Q90-E113 PolarHBondContact NE2-OE1 3.35Å; Q90-E113 PolarHBondContact NE2-OE2 3.05Å
114L76.6Confident74.2Confident53 Ų5375.7 Ų75.728%0.27742%0.42SS..EExtended strand (participates in β ladder)trans-75119.4176.9-17570.8000109.8M82 Y85 L116M82-L114 HydrophobicContact CE-CD1 4.11Å; M82-L114 HydrophobicContact CE-CD2 4.23Å; M82-L114 HydrophobicContact CE-CG 4.38Å; M82-L114 HydrophobicContact SD-CD1 4.04Å; M82-L114 HydrophobicContact SD-CD2 3.74Å; M82-L114 HydrophobicContact SD-CG 4.37Å; Y85-L114 HydrophobicContact CD2-CD1 3.32Å; Y85-L114 HydrophobicContact CE2-CD1 4.07Å; Y85-L114 HydrophobicContact CG-CD1 3.89Å; L114-L116 HydrophobicContact CD2-CD2 3.54Å; L114-L116 HydrophobicContact CD2-CG 4.15Å; L114-L116 HydrophobicContact CG-CD2 4.13Å; L114-L116 HydrophobicContact CG-CG 4.38Å; L114-L116 PolarHBondContact O-N 3.38Å; L114-L116 VanDerWaalsContact O-N 3.07Å
115D77.6Confident74.7Confident45 Ų4578.9 Ų78.924%0.24143%0.434CS..  trans-83.384173.4-177.85.9000109.7E86 V88 N117 S118 N121E86-D115 PolarHBondContact O-N 3.45Å; V88-D115 HydrophobicContact CG2-CB 3.94Å; D115-N117 PolarHBondContact O-N 2.86Å; D115-N117 VanDerWaalsContact O-N 3.1Å; D115-N117 PolarHBondContact OD1-N 2.89Å; D115-N117 VanDerWaalsContact OD1-N 3.13Å; D115-S118 PolarHBondContact O-N 2.66Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact OD1-N 2.92Å; D115-N121 PolarHBondContact O-ND2 3.34Å
116L72.5Confident75.4Confident125 Ų12576.8 Ų76.865%0.65442%0.42SS*.THydrogen-bonded Turntrans-54.7-26177.9-70.6170.9000113.4M82 L114 N121M82-L116 HydrophobicContact CE-CD2 4.39Å; L114-L116 HydrophobicContact CD2-CD2 3.54Å; L114-L116 HydrophobicContact CD2-CG 4.15Å; L114-L116 HydrophobicContact CG-CD2 4.13Å; L114-L116 HydrophobicContact CG-CG 4.38Å; L114-L116 PolarHBondContact O-N 3.38Å; L114-L116 VanDerWaalsContact O-N 3.07Å; L116-N121 PolarHBondContact O-ND2 3.45Å
117N73.8Confident76.4Confident152 Ų15275.6 Ų75.681%0.81341%0.408SS*.THydrogen-bonded Turntrans-92.40.6-176.5-63.5-68.7000113.6D115D115-N117 PolarHBondContact O-N 2.86Å; D115-N117 VanDerWaalsContact O-N 3.1Å; D115-N117 PolarHBondContact OD1-N 2.89Å; D115-N117 VanDerWaalsContact OD1-N 3.13Å
118S75.4Confident77.5Confident10 Ų1071.2 Ų71.27%0.0739%0.388CS..  trans-64.5129.9179.2176.40000111.4E86 D115 R120 N121E86-S118 WeakPolarHBondContact OE2-CB 3.4Å; E86-S118 PolarHBondContact OE2-OG 2.74Å; D115-S118 PolarHBondContact O-N 2.66Å; D115-S118 VanDerWaalsContact O-N 3.12Å; D115-S118 PolarHBondContact OD1-N 2.92Å; S118-R120 PolarHBondContact O-N 2.9Å; S118-R120 PolarHBondContact OG-N 3.08Å; S118-R120 VanDerWaalsContact OG-N 3.14Å; S118-N121 WeakPolarHBondContact O-CB 3.27Å; S118-N121 PolarHBondContact O-N 2.94Å; S118-N121 VanDerWaalsContact O-N 3.09Å
119P73.9Confident79Confident132 Ų13268.5 Ų68.586%0.85737%0.369SS*.THydrogen-bonded Turntrans-69.90.9174.132.6-37.6000113.1
120R75.8Confident80.2Confident117 Ų11768.5 Ų68.544%0.44236%0.364SS..THydrogen-bonded Turntrans-95.9-7173.5-60.1-168.3-75.3-166.3-7.7113E86 L97 S118E86-R120 IonicContact OE1-CZ 2.69Å; E86-R120 IonicContact OE1-NE 3.67Å; E86-R120 IonicContact OE1-NH2 3.24Å; E86-R120 PolarHBondContact OE1-NH2 2.81Å; E86-R120 IonicContact OE2-CZ 2.65Å; E86-R120 VanDerWaalsContact OE2-CZ 3.27Å; E86-R120 IonicContact OE2-NE 3.09Å; E86-R120 PolarHBondContact OE2-NE 2.99Å; E86-R120 IonicContact OE2-NH2 2.97Å; E86-R120 PolarHBondContact OE2-NH2 2.8Å; L97-R120 HydrophobicContact CD2-CB 4.05Å; S118-R120 PolarHBondContact O-N 2.9Å; S118-R120 PolarHBondContact OG-N 3.08Å; S118-R120 VanDerWaalsContact OG-N 3.14Å
121N81.3Confident81.8Confident32 Ų3261.6 Ų61.617%0.17132%0.319CS..  trans-67.9131.6172.1-66.1-15.2000109.5M82 V84 Y85 E86 D115 L116 S118M82-N121 HydrophobicContact CE-CB 4.2Å; V84-N121 WeakPolarHBondContact O-CA 3.43Å; Y85-N121 WeakPolarHBondContact CA-OD1 3.5Å; E86-N121 PolarHBondContact N-OD1 3.49Å; E86-N121 VanDerWaalsContact N-OD1 3.09Å; D115-N121 PolarHBondContact O-ND2 3.34Å; L116-N121 PolarHBondContact O-ND2 3.45Å; S118-N121 WeakPolarHBondContact O-CB 3.27Å; S118-N121 PolarHBondContact O-N 2.94Å; S118-N121 VanDerWaalsContact O-N 3.09Å
122T82.8Confident83.1Confident60 Ų6056.8 Ų56.837%0.36830%0.296SS..EExtended strand (participates in β ladder)trans-124.5117.6176-56.90000108.9M82 G83 V84 L124M82-T122 CarbonylContact C-O 3.58Å; G83-T122 WeakPolarHBondContact CA-O 3.36Å; G83-T122 PolarHBondContact N-O 3.48Å; V84-T122 PolarHBondContact N-O 2.91Å; V84-T122 PolarHBondContact O-N 2.92Å; T122-L124 HydrophobicContact CG2-CD2 4.07Å; T122-L124 HydrophobicContact CG2-CG 4.26Å
123T84.1Confident84Confident96 Ų9655.2 Ų55.259%0.58929%0.29SS*.EExtended strand (participates in β ladder)trans-80.8135.3169.6-49.10000109.5F80 Y81F80-T123 HydrophobicContact CB-CG2 3.99Å; F80-T123 HydrophobicContact CD1-CG2 4.24Å; F80-T123 HydrophobicContact CG-CG2 4.47Å; Y81-T123 WeakPolarHBondContact O-CA 3.26Å
124L86.4Confident84.9Confident68 Ų6849.8 Ų49.836%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-129.4163.7175-65.3179.1000109.2F80 Y81 T122F80-L124 CarbonylContact C-O 3.59Å; F80-L124 WeakPolarHBondContact CA-O 3.49Å; Y81-L124 HydrophobicContact CD1-CB 4.25Å; Y81-L124 VanDerWaalsContact CD1-O 3.27Å; Y81-L124 WeakPolarHBondContact CD1-O 3.47Å; Y81-L124 HydrophobicContact CE1-CB 3.55Å; Y81-L124 PolarHBondContact N-O 2.84Å; Y81-L124 PolarHBondContact O-N 3.06Å; Y81-L124 WeakPolarHBondContact OH-CD1 3.32Å; T122-L124 HydrophobicContact CG2-CD2 4.07Å; T122-L124 HydrophobicContact CG2-CG 4.26Å
125E88.4Confident85.6Confident95 Ų9547.3 Ų47.344%0.44425%0.252SS..EExtended strand (participates in β ladder)trans-104.6152.8176.566.3-168.417900111.4E79 F80 Y81 W247E79-E125 CarbonylContact O-C 3.54Å; E79-E125 WeakPolarHBondContact O-CA 3Å; F80-E125 HydrophobicContact CD1-CB 4.18Å; F80-E125 HydrophobicContact CE1-CB 4.1Å; Y81-E125 WeakPolarHBondContact CE1-O 3.25Å; E125-W247 HydrophobicContact CG-CH2 3.74Å; E125-W247 HydrophobicContact CG-CZ2 4.3Å
126R90.2Very high86.1Confident14 Ų1445.7 Ų45.75%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-143.2142.9172.266.1-172.2179.4-161.81.4110.4E79 Y81 R103 D104 Y244E79-R126 HydrophobicContact CB-CG 3.88Å; E79-R126 PolarHBondContact N-O 2.88Å; E79-R126 PolarHBondContact O-N 2.99Å; E79-R126 IonicContact OE2-CZ 3.77Å; E79-R126 IonicContact OE2-NE 3.36Å; E79-R126 PolarHBondContact OE2-NE 2.72Å; E79-R126 IonicContact OE2-NH2 2.75Å; E79-R126 PolarHBondContact OE2-NH2 3.37Å; Y81-R126 HydrophobicContact CD1-CB 4.09Å; Y81-R126 HydrophobicContact CD1-CG 3.94Å; Y81-R126 HydrophobicContact CE1-CB 4Å; Y81-R126 HydrophobicContact CE1-CG 4.36Å; R103-R126 PolarHBondContact O-NH1 3.01Å; D104-R126 IonicContact OD1-NH2 3.99Å; R126-Y244 HydrophobicContact CB-CD1 3.8Å; R126-Y244 HydrophobicContact CB-CE1 3.9Å; R126-Y244 HydrophobicContact CG-CE1 4.39Å; R126-Y244 PolarHBondContact NH1-OH 2.93Å
127Q93.4Very high87.1Confident8 Ų840.4 Ų40.44%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-88.4128.5177.5-17757.264.300110.6F76 F129 K242 V243 W247F76-Q127 PolarHBondContact O-NE2 3.49Å; Q127-F129 HydrophobicContact CB-CE2 4.12Å; Q127-F129 HydrophobicContact CB-CZ 4.43Å; Q127-F129 HydrophobicContact CG-CD2 4.08Å; Q127-F129 HydrophobicContact CG-CE1 3.98Å; Q127-F129 HydrophobicContact CG-CE2 3.45Å; Q127-F129 VanDerWaalsContact CG-CE2 3.45Å; Q127-F129 HydrophobicContact CG-CZ 3.4Å; Q127-F129 VanDerWaalsContact CG-CZ 3.4Å; Q127-K242 WeakPolarHBondContact O-CA 3.35Å; Q127-V243 PolarHBondContact N-O 2.86Å; Q127-V243 PolarHBondContact O-N 3.48Å; Q127-W247 HydrophobicContact CB-CB 3.7Å; Q127-W247 HydrophobicContact CB-CD2 3.96Å; Q127-W247 HydrophobicContact CB-CE3 4.35Å; Q127-W247 HydrophobicContact CB-CG 3.66Å; Q127-W247 HydrophobicContact CG-CB 4.04Å; Q127-W247 HydrophobicContact CG-CG 4.17Å
128T92.1Very high88Confident1 Ų133.1 Ų33.11%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-102.4131.5172.9-67.90000110.7F76 E79 L240F76-T128 HydrophobicContact CD2-CG2 3.91Å; F76-T128 PolarHBondContact N-O 3.24Å; F76-T128 VanDerWaalsContact N-O 3.14Å; E79-T128 VanDerWaalsContact CD-OG1 3.23Å; E79-T128 PolarHBondContact OE1-OG1 3.36Å; T128-L240 HydrophobicContact CG2-CD2 4.06Å
129F93.6Very high88.7Confident2 Ų235.9 Ų35.91%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-118.6139.3175.7-63.1-79.7000110.5I72 D74 M75 Q127 V241 V243 W247 F250I72-F129 HydrophobicContact CD1-CD1 4.06Å; I72-F129 HydrophobicContact CD1-CE1 4.22Å; I72-F129 HydrophobicContact CD1-CG 4.36Å; I72-F129 HydrophobicContact CG2-CB 4.35Å; I72-F129 HydrophobicContact CG2-CD1 3.77Å; I72-F129 HydrophobicContact CG2-CG 4.41Å; D74-F129 WeakPolarHBondContact O-CA 3.26Å; M75-F129 HydrophobicContact CB-CD1 4.03Å; M75-F129 HydrophobicContact CB-CE1 4.13Å; M75-F129 HydrophobicContact CG-CD1 3.91Å; M75-F129 HydrophobicContact CG-CE1 3.64Å; M75-F129 HydrophobicContact SD-CE1 3.91Å; Q127-F129 HydrophobicContact CB-CE2 4.12Å; Q127-F129 HydrophobicContact CB-CZ 4.43Å; Q127-F129 HydrophobicContact CG-CD2 4.08Å; Q127-F129 HydrophobicContact CG-CE1 3.98Å; Q127-F129 HydrophobicContact CG-CE2 3.45Å; Q127-F129 VanDerWaalsContact CG-CE2 3.45Å; Q127-F129 HydrophobicContact CG-CZ 3.4Å; Q127-F129 VanDerWaalsContact CG-CZ 3.4Å; F129-V241 HydrophobicContact CB-CB 4.4Å; F129-V241 PolarHBondContact N-O 3.1Å; F129-V241 PolarHBondContact O-N 3.38Å; F129-V243 HydrophobicContact CD2-CB 4.49Å; F129-V243 HydrophobicContact CD2-CG2 3.86Å; F129-V243 HydrophobicContact CE2-CB 4.09Å; F129-V243 HydrophobicContact CE2-CG2 3.78Å; F129-W247 HydrophobicContact CE2-CB 4.28Å; F129-W247 HydrophobicContact CZ-CB 4.27Å; F129-F250 HydrophobicContact CE2-CD2 4.46Å; F129-F250 HydrophobicContact CZ-CB 4.16Å
130Y93.4Very high89.6Confident20 Ų2030.1 Ų30.18%0.07816%0.157CC..EExtended strand (participates in β ladder)trans-88.9115167.4-167.5-94.8000109.2Q73 D74 F76 V132 L227 A238 L240 V304Q73-Y130 HydrophobicContact CB-CD1 4.27Å; Q73-Y130 HydrophobicContact CG-CD1 4.28Å; Q73-Y130 PolarHBondContact N-O 3.27Å; Q73-Y130 VanDerWaalsContact OE1-CD1 3.23Å; D74-Y130 PolarHBondContact N-O 2.76Å; D74-Y130 PolarHBondContact O-N 3.18Å; F76-Y130 HydrophobicContact CZ-CD2 4.28Å; Y130-V132 HydrophobicContact CD1-CG1 4.16Å; Y130-V132 HydrophobicContact CE1-CG1 3.82Å; Y130-L227 PolarHBondContact OH-O 2.82Å; Y130-L227 VanDerWaalsContact OH-O 3.08Å; Y130-A238 HydrophobicContact CE1-CB 4.3Å; Y130-A238 HydrophobicContact CE2-CB 4.45Å; Y130-A238 VanDerWaalsContact OH-CB 3.31Å; Y130-A238 WeakPolarHBondContact OH-CB 3.47Å; Y130-L240 HydrophobicContact CD2-CD2 3.83Å; Y130-V304 HydrophobicContact CE2-CG1 4.27Å
131C94Very high90.3Very high0 Ų024.5 Ų24.50%014%0.136CC..EExtended strand (participates in β ladder)trans-116.2132.7-173.4-720000111.6F68 C70 M71 A238 C239 V241F68-C131 HydrophobicContact CE1-CB 3.86Å; C70-C131 HydrophobicContact CB-CB 3.94Å; M71-C131 WeakPolarHBondContact O-CA 3.48Å; C131-A238 WeakPolarHBondContact O-CA 3.4Å; C131-C239 PolarHBondContact N-O 3.21Å; C131-C239 PolarHBondContact O-N 3.39Å; C131-V241 HydrophobicContact CB-CG2 3.73Å
132V93.4Very high90.7Very high0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-111.9158.5-179.2-66.50000110.6C70 M71 Q73 Y130 F229C70-V132 CarbonylContact C-O 3.5Å; C70-V132 VanDerWaalsContact CA-O 3.27Å; C70-V132 WeakPolarHBondContact CA-O 3.42Å; C70-V132 VanDerWaalsContact CB-O 3.27Å; C70-V132 WeakPolarHBondContact CB-O 3.48Å; M71-V132 HydrophobicContact CB-CG2 4.27Å; M71-V132 HydrophobicContact CE-CG2 4.01Å; M71-V132 PolarHBondContact N-O 3.01Å; M71-V132 PolarHBondContact O-N 3.44Å; Q73-V132 HydrophobicContact CB-CG1 4.07Å; Q73-V132 HydrophobicContact CB-CG2 3.99Å; Y130-V132 HydrophobicContact CD1-CG1 4.16Å; Y130-V132 HydrophobicContact CE1-CG1 3.82Å; V132-F229 HydrophobicContact CB-CD1 4.27Å; V132-F229 HydrophobicContact CB-CE1 4.5Å; V132-F229 HydrophobicContact CG1-CD1 4.01Å; V132-F229 HydrophobicContact CG1-CE1 4.27Å
133P91.7Very high91Very high13 Ų1329.6 Ų29.68%0.08415%0.153CC..PPolyproline II helixtrans-54.5150.116528.3-38.1000109.9P135 F229 P237P133-P135 WeakPolarHBondContact O-CD 3.12Å; P133-P135 VanDerWaalsContact O-N 3.14Å; P133-F229 HydrophobicContact CG-CD1 4.48Å; P133-F229 HydrophobicContact CG-CE1 4.16Å; P133-P237 WeakPolarHBondContact CD-O 3.15Å
134V92.3Very high91.2Very high3 Ų326.3 Ų26.32%0.01814%0.135CC..PPolyproline II helixtrans-61.5117-176.7-175.30000110.1R69 E137 I255 I318 P451R69-V134 HydrophobicContact CG-CG2 4.01Å; V134-E137 HydrophobicContact CB-CB 4.44Å; V134-E137 WeakPolarHBondContact O-CB 3.26Å; V134-E137 PolarHBondContact O-N 2.97Å; V134-I255 HydrophobicContact CG1-CD1 4.33Å; V134-I255 HydrophobicContact CG2-CG2 3.84Å; V134-I318 HydrophobicContact CG1-CD1 4.2Å; V134-I318 HydrophobicContact CG1-CG2 4.3Å; V134-I318 HydrophobicContact CG2-CG2 4.35Å; V134-P451 HydrophobicContact CG1-CB 4.19Å; V134-P451 HydrophobicContact CG1-CG 3.72Å
135P91.3Very high91.2Very high0 Ų024.8 Ų24.80%013%0.125CC..THydrogen-bonded Turntrans-63.7141.5-173.8-25.734.8000113.2M71 P133 E137 P230 L231 E234 L450M71-P135 HydrophobicContact CE-CG 3.65Å; M71-P135 HydrophobicContact SD-CG 4Å; P133-P135 WeakPolarHBondContact O-CD 3.12Å; P133-P135 VanDerWaalsContact O-N 3.14Å; P135-E137 PolarHBondContact O-N 3.4Å; P135-P230 HydrophobicContact CG-CB 4.39Å; P135-P230 HydrophobicContact CG-CG 3.92Å; P135-L231 HydrophobicContact CB-CD1 3.97Å; P135-L231 HydrophobicContact CB-CG 4.32Å; P135-E234 WeakPolarHBondContact CA-OE1 3.28Å; P135-L450 HydrophobicContact CB-CD2 4.13Å
136G89.6Confident91Very high11 Ų1124 Ų2411%0.11313%0.126CC..THydrogen-bonded Turntrans69.711.8177.400000114.7S138 E234 A416 S417G136-S138 PolarHBondContact O-N 3.13Å; G136-E234 PolarHBondContact N-OE1 2.68Å; G136-A416 CarbonylContact O-C 3.6Å; G136-A416 VanDerWaalsContact O-CA 3.3Å; G136-A416 WeakPolarHBondContact O-CA 3.2Å; G136-S417 PolarHBondContact O-N 2.86Å
137E92.5Very high90.7Very high14 Ų1429.7 Ų29.77%0.06516%0.158CC..BIsolated β-bridgetrans-61.2122.6-177.9-179178.8-10700112.3R69 V134 P135 V141 K142 I318R69-E137 IonicContact CZ-OE1 3.66Å; R69-E137 IonicContact CZ-OE2 3.5Å; R69-E137 IonicContact NE-OE1 3.27Å; R69-E137 PolarHBondContact NE-OE1 3.28Å; R69-E137 IonicContact NH2-OE1 3.05Å; R69-E137 PolarHBondContact NH2-OE1 2.85Å; R69-E137 IonicContact NH2-OE2 3.46Å; R69-E137 PolarHBondContact NH2-OE2 2.93Å; V134-E137 HydrophobicContact CB-CB 4.44Å; V134-E137 WeakPolarHBondContact O-CB 3.26Å; V134-E137 PolarHBondContact O-N 2.97Å; P135-E137 PolarHBondContact O-N 3.4Å; E137-V141 HydrophobicContact CG-CB 3.93Å; E137-V141 HydrophobicContact CG-CG1 3.72Å; E137-K142 HydrophobicContact CG-CG 4.1Å; E137-K142 VanDerWaalsContact O-CE 3.24Å; E137-K142 WeakPolarHBondContact O-CE 3.26Å; E137-K142 PolarHBondContact O-NZ 3.23Å; E137-K142 VanDerWaalsContact OE2-CE 3.23Å; E137-K142 WeakPolarHBondContact OE2-CE 3.34Å; E137-K142 WeakPolarHBondContact OE2-CG 3.43Å; E137-I318 HydrophobicContact CB-CD1 4.41Å; E137-I318 HydrophobicContact CG-CD1 4.05Å
138S92.6Very high90Very high0 Ų031.1 Ų31.10%017%0.171CC..  trans-64.3148.4-174.9-62.50000112.9G136 W140 V141 K142 Q411 V414 P415G136-S138 PolarHBondContact O-N 3.13Å; S138-W140 VanDerWaalsContact C-N 3.32Å; S138-W140 PolarHBondContact O-N 3.45Å; S138-V141 WeakPolarHBondContact O-CB 3.45Å; S138-V141 PolarHBondContact O-N 2.83Å; S138-K142 PolarHBondContact O-N 3.33Å; S138-Q411 WeakPolarHBondContact CB-O 3.43Å; S138-Q411 PolarHBondContact OG-O 3.23Å; S138-Q411 VanDerWaalsContact OG-O 3.12Å; S138-V414 PolarHBondContact OG-O 3.31Å; S138-P415 WeakPolarHBondContact CB-O 3.18Å; S138-P415 PolarHBondContact N-O 3.3Å; S138-P415 PolarHBondContact OG-O 2.88Å
139T90.8Very high89.2Confident67 Ų6732.2 Ų32.241%0.41118%0.177SC..Hα-helixtrans-55.7-44.5-178.252.20000112.8V141 K142 E143T139-V141 PolarHBondContact O-N 3.17Å; T139-K142 WeakPolarHBondContact O-CB 3.49Å; T139-K142 PolarHBondContact O-N 2.86Å; T139-K142 VanDerWaalsContact O-N 3.11Å; T139-E143 WeakPolarHBondContact O-CB 3.47Å; T139-E143 WeakPolarHBondContact O-CG 3.4Å; T139-E143 PolarHBondContact O-N 2.78Å
140W92.1Very high88Confident11 Ų1137.6 Ų37.64%0.04220%0.202CC..Hα-helixtrans-61.9-27.5178.874.2-95.8000113.4S138 A144 P320 L321 Q411 V414 P415 R552S138-W140 VanDerWaalsContact C-N 3.32Å; S138-W140 PolarHBondContact O-N 3.45Å; W140-A144 WeakPolarHBondContact O-CB 3.41Å; W140-A144 PolarHBondContact O-N 2.87Å; W140-P320 HydrophobicContact CZ3-CG 4.08Å; W140-L321 HydrophobicContact CZ3-CD1 4.08Å; W140-L321 HydrophobicContact CZ3-CG 4.24Å; W140-Q411 PolarHBondContact NE1-O 3.44Å; W140-V414 PolarHBondContact NE1-O 3.16Å; W140-P415 HydrophobicContact CH2-CB 4.28Å; W140-P415 HydrophobicContact CZ2-CB 3.9Å; W140-R552 HydrophobicContact CH2-CB 3.95Å; W140-R552 HydrophobicContact CH2-CG 3.87Å; W140-R552 HydrophobicContact CZ2-CB 4.2Å; W140-R552 HydrophobicContact CZ2-CG 3.71Å; W140-R552 HydrophobicContact CZ3-CG 4.37Å
141V91.1Very high86.5Confident0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-71.2-49.9174.4173.70000109.4E137 S138 T139 E143 A144 Y145 I318 P320 P415E137-V141 HydrophobicContact CG-CB 3.93Å; E137-V141 HydrophobicContact CG-CG1 3.72Å; S138-V141 WeakPolarHBondContact O-CB 3.45Å; S138-V141 PolarHBondContact O-N 2.83Å; T139-V141 PolarHBondContact O-N 3.17Å; V141-E143 PolarHBondContact O-N 2.95Å; V141-A144 PolarHBondContact O-N 3.08Å; V141-Y145 HydrophobicContact CG1-CD2 3.64Å; V141-Y145 HydrophobicContact CG1-CE2 3.58Å; V141-Y145 VanDerWaalsContact O-CD2 3.26Å; V141-Y145 WeakPolarHBondContact O-CD2 3.5Å; V141-Y145 PolarHBondContact O-N 2.99Å; V141-I318 WeakPolarHBondContact CG1-O 3.44Å; V141-P320 HydrophobicContact CG1-CG 4.46Å; V141-P415 HydrophobicContact CG2-CB 3.68Å
142K89.4Confident84.5Confident88 Ų8848.8 Ų48.838%0.38325%0.249SC..Hα-helixtrans-56-50.6176.8-67.5172.3-179.3168.30110.9E137 S138 T139 A144 Y145 V146E137-K142 HydrophobicContact CG-CG 4.1Å; E137-K142 VanDerWaalsContact O-CE 3.24Å; E137-K142 WeakPolarHBondContact O-CE 3.26Å; E137-K142 PolarHBondContact O-NZ 3.23Å; E137-K142 VanDerWaalsContact OE2-CE 3.23Å; E137-K142 WeakPolarHBondContact OE2-CE 3.34Å; E137-K142 WeakPolarHBondContact OE2-CG 3.43Å; S138-K142 PolarHBondContact O-N 3.33Å; T139-K142 WeakPolarHBondContact O-CB 3.49Å; T139-K142 PolarHBondContact O-N 2.86Å; T139-K142 VanDerWaalsContact O-N 3.11Å; K142-A144 PolarHBondContact O-N 3.5Å; K142-Y145 PolarHBondContact O-N 3.09Å; K142-V146 VanDerWaalsContact O-CG2 3.31Å; K142-V146 WeakPolarHBondContact O-CG2 3.45Å; K142-V146 PolarHBondContact O-N 3.14Å
143E89.3Confident82.5Confident110 Ų11051 Ų5151%0.51426%0.262SS..Hα-helixtrans-59-44175.8-70.7163.5-156.200112.7T139 V141 V146 N147T139-E143 WeakPolarHBondContact O-CB 3.47Å; T139-E143 WeakPolarHBondContact O-CG 3.4Å; T139-E143 PolarHBondContact O-N 2.78Å; V141-E143 PolarHBondContact O-N 2.95Å; E143-V146 PolarHBondContact O-N 3.46Å; E143-N147 VanDerWaalsContact O-CB 3.3Å; E143-N147 WeakPolarHBondContact O-CB 3.19Å; E143-N147 VanDerWaalsContact O-CG 3.24Å; E143-N147 PolarHBondContact O-N 2.88Å; E143-N147 PolarHBondContact O-ND2 2.79Å
144A87.4Confident80Confident27 Ų2754.5 Ų54.522%0.22329%0.287CS..Hα-helixtrans-67.6-35.3179.800000112.6W140 V141 K142 A148 P320W140-A144 WeakPolarHBondContact O-CB 3.41Å; W140-A144 PolarHBondContact O-N 2.87Å; V141-A144 PolarHBondContact O-N 3.08Å; K142-A144 PolarHBondContact O-N 3.5Å; A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 2.7Å; A144-P320 HydrophobicContact CB-CB 4.18Å; A144-P320 HydrophobicContact CB-CG 3.49Å; A144-P320 VanDerWaalsContact CB-CG 3.49Å
145Y86.1Confident77.1Confident36 Ų3658.4 Ų58.414%0.14131%0.312CS..Hα-helixtrans-68.5-45.8172.3-82.3-71000112.1R69 V141 K142 N147 A148 N149 P320R69-Y145 VanDerWaalsContact CZ-CE2 3.44Å; R69-Y145 VanDerWaalsContact NH1-CD2 3.26Å; R69-Y145 VanDerWaalsContact NH1-CG 3.27Å; V141-Y145 HydrophobicContact CG1-CD2 3.64Å; V141-Y145 HydrophobicContact CG1-CE2 3.58Å; V141-Y145 VanDerWaalsContact O-CD2 3.26Å; V141-Y145 WeakPolarHBondContact O-CD2 3.5Å; V141-Y145 PolarHBondContact O-N 2.99Å; K142-Y145 PolarHBondContact O-N 3.09Å; Y145-N147 VanDerWaalsContact C-N 3.32Å; Y145-N147 PolarHBondContact O-N 3.45Å; Y145-A148 PolarHBondContact O-N 3.33Å; Y145-A148 VanDerWaalsContact O-N 3.09Å; Y145-N149 PolarHBondContact O-N 3.13Å; Y145-P320 HydrophobicContact CD1-CB 4.37Å; Y145-P320 HydrophobicContact CD2-CB 4.06Å; Y145-P320 HydrophobicContact CD2-CG 4.23Å; Y145-P320 HydrophobicContact CE1-CB 4.13Å; Y145-P320 HydrophobicContact CE2-CB 3.79Å; Y145-P320 HydrophobicContact CE2-CG 4.09Å; Y145-P320 HydrophobicContact CG-CB 4.35Å
146V85.5Confident74.4Confident78 Ų7860.8 Ų60.847%0.47333%0.329SS..Hα-helixtrans-56-45.7173.61700000111.2E54 K142 E143 A148 N149E54-V146 HydrophobicContact CB-CG2 4.18Å; E54-V146 HydrophobicContact CG-CG2 3.77Å; K142-V146 VanDerWaalsContact O-CG2 3.31Å; K142-V146 WeakPolarHBondContact O-CG2 3.45Å; K142-V146 PolarHBondContact O-N 3.14Å; E143-V146 PolarHBondContact O-N 3.46Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.75Å; V146-N149 PolarHBondContact O-N 2.92Å
147N83.6Confident71.8Confident135 Ų13567 Ų6772%0.72237%0.365SS*.Hα-helixtrans-70.2-26.5178.1-73.9-46.7000113.5E143 Y145E143-N147 VanDerWaalsContact O-CB 3.3Å; E143-N147 WeakPolarHBondContact O-CB 3.19Å; E143-N147 VanDerWaalsContact O-CG 3.24Å; E143-N147 PolarHBondContact O-N 2.88Å; E143-N147 PolarHBondContact O-ND2 2.79Å; Y145-N147 VanDerWaalsContact C-N 3.32Å; Y145-N147 PolarHBondContact O-N 3.45Å
148A78.9Confident69.2Low38 Ų3871.6 Ų71.631%0.31440%0.398SS..Hα-helixtrans-80.1-21.6175.200000112.8K47 A144 Y145 V146K47-A148 WeakPolarHBondContact CD-O 3.23Å; K47-A148 WeakPolarHBondContact CG-O 3.23Å; A144-A148 VanDerWaalsContact O-CB 3.23Å; A144-A148 WeakPolarHBondContact O-CB 3.29Å; A144-A148 PolarHBondContact O-N 2.7Å; Y145-A148 PolarHBondContact O-N 3.33Å; Y145-A148 VanDerWaalsContact O-N 3.09Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-A148 PolarHBondContact O-N 2.75Å
149N75.1Confident66.4Low23 Ų2379.5 Ų79.512%0.12343%0.43CS..  trans-80.5127.4178.6-166.97.6000111.3K47 E54 Y145 V146 A151K47-N149 PolarHBondContact O-OD1 2.68Å; K47-N149 VanDerWaalsContact O-OD1 3.06Å; E54-N149 WeakPolarHBondContact OE2-CB 3.4Å; E54-N149 PolarHBondContact OE2-ND2 2.82Å; Y145-N149 PolarHBondContact O-N 3.13Å; V146-N149 PolarHBondContact O-N 2.92Å; N149-A151 WeakPolarHBondContact OD1-CB 3.42Å; N149-A151 PolarHBondContact OD1-N 3.38Å; N149-A151 VanDerWaalsContact OD1-N 3.09Å
150Q68.5Low63.4Low115 Ų11582.1 Ų82.154%0.53745%0.445SS..  trans-108.7-0.7179.9-62.6-176.2-16.200111.9K47 R152K47-Q150 WeakPolarHBondContact O-CA 3.22Å; K47-Q150 PolarHBondContact O-N 3.33Å; Q150-R152 VanDerWaalsContact C-N 3.31Å; Q150-R152 PolarHBondContact O-N 3.08Å
151A61.4Low60.5Low21 Ų2185.9 Ų85.917%0.17447%0.471CS..  trans-66.981.9176.200000111.7K47 W48 P50 N149 V153K47-A151 PolarHBondContact O-N 2.79Å; W48-A151 WeakPolarHBondContact O-CB 3.4Å; P50-A151 HydrophobicContact CB-CB 4.44Å; P50-A151 HydrophobicContact CG-CB 4.24Å; N149-A151 WeakPolarHBondContact OD1-CB 3.42Å; N149-A151 PolarHBondContact OD1-N 3.38Å; N149-A151 VanDerWaalsContact OD1-N 3.09Å; A151-V153 PolarHBondContact O-N 2.96Å
152R52.8Low57.5Low235 Ų23590.5 Ų90.589%0.88750%0.504SS*.  trans-70.496.4170.2-70.2-174.2179.6-176.9-0109.7Q150 S154Q150-R152 VanDerWaalsContact C-N 3.31Å; Q150-R152 PolarHBondContact O-N 3.08Å; R152-S154 PolarHBondContact O-N 3.24Å
153V51.6Low54.8Low45 Ų4597.7 Ų97.727%0.27353%0.528SS..  trans-79.4100.3171.9-169.90000108.6P50 V55 Y59 A151P50-V153 HydrophobicContact CB-CG2 4.15Å; P50-V153 HydrophobicContact CG-CG2 4.24Å; V55-V153 HydrophobicContact CG1-CB 4.16Å; V55-V153 HydrophobicContact CG1-CG1 4.45Å; V55-V153 HydrophobicContact CG1-CG2 3.93Å; V55-V153 HydrophobicContact CG2-CG2 4.01Å; Y59-V153 WeakPolarHBondContact O-CG1 3.47Å; A151-V153 PolarHBondContact O-N 2.96Å
154S38.3Very low52Low87 Ų87100.5 Ų100.561%0.60854%0.541SS*.  trans-62134.3174.7-62.10000110.3R152 S156R152-S154 PolarHBondContact O-N 3.24Å; S154-S156 PolarHBondContact O-N 3.41Å
155P31.8Very low49.3Very low85 Ų85108.7 Ų108.755%0.55257%0.572SS**  trans-54.3112171-25.834.9000110.1Y59 T157Y59-P155 HydrophobicContact CD1-CB 4.47Å; Y59-P155 HydrophobicContact CE1-CB 3.97Å; Y59-P155 HydrophobicContact CE1-CG 4.1Å; P155-T157 VanDerWaalsContact C-N 3.33Å; P155-T157 PolarHBondContact O-N 3.48Å
156S33.3Very low46.7Very low51 Ų51118.2 Ų118.236%0.35761%0.607SS.*  trans-76.587.7178-700000109S154 S158 Y159S154-S156 PolarHBondContact O-N 3.41Å; S156-S158 PolarHBondContact O-N 2.72Å; S156-Y159 PolarHBondContact O-N 2.98Å; S156-Y159 VanDerWaalsContact O-N 3.12Å
157T35.7Very low43.9Very low141 Ų141119 Ų11987%0.86562%0.617SS**THydrogen-bonded Turntrans-62.9-1.3175.750.90000113.8P155P155-T157 VanDerWaalsContact C-N 3.33Å; P155-T157 PolarHBondContact O-N 3.48Å
158S37.4Very low41.3Very low110 Ų110123.4 Ų123.477%0.76963%0.625SS**THydrogen-bonded Turntrans-90.4-1.1173.5620000114.7S156S156-S158 PolarHBondContact O-N 2.72Å
159Y35Very low39Very low167 Ų167129.7 Ų129.766%0.65565%0.648SS**  trans-110.286.8175.4-163.9-103.6000111.7S156 P161S156-Y159 PolarHBondContact O-N 2.98Å; S156-Y159 VanDerWaalsContact O-N 3.12Å; Y159-P161 HydrophobicContact CE1-CB 4.27Å; Y159-P161 WeakPolarHBondContact O-CD 3.39Å
160T27.2Very low36.8Very low121 Ų121136.3 Ų136.374%0.74268%0.683SS**  trans-82.7111.2160.846.70000108.6S162T160-S162 PolarHBondContact O-N 2.85Å; T160-S162 VanDerWaalsContact O-N 3.16Å
161P30.3Very low35.1Very low90 Ų90138.8 Ų138.858%0.58470%0.7SS**  trans-62.2121.7170.226.2-32.7000108.2Y159 R163Y159-P161 HydrophobicContact CE1-CB 4.27Å; Y159-P161 WeakPolarHBondContact O-CD 3.39Å; P161-R163 PolarHBondContact O-N 2.86Å
162S28.1Very low33.6Very low97 Ų97144.9 Ų144.968%0.67873%0.73SS**  trans-7079.2178.744.50000110.2T160 H164T160-S162 PolarHBondContact O-N 2.85Å; T160-S162 VanDerWaalsContact O-N 3.16Å; S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 2.93Å; S162-H164 PolarHBondContact O-ND1 3.47Å
163R32.8Very low32.6Very low239 Ų239141 Ų14190%0.90273%0.726SS**  trans-54.797.4163.3-89.7-173.6167.8-175-3.2107.7P161 K165P161-R163 PolarHBondContact O-N 2.86Å; R163-K165 VanDerWaalsContact C-N 3.29Å; R163-K165 PolarHBondContact O-N 3.37Å
164H31.5Very low31.7Very low170 Ų170146.2 Ų146.279%0.78775%0.75SS**  trans-63.298.6168.1-79.867.9000106.9S162 R166S162-H164 VanDerWaalsContact C-N 3.29Å; S162-H164 PolarHBondContact O-N 2.93Å; S162-H164 PolarHBondContact O-ND1 3.47Å; H164-R166 PolarHBondContact O-N 3.09Å; H164-R166 VanDerWaalsContact O-N 3.09Å
165K30.2Very low31.2Very low199 Ų199148.5 Ų148.587%0.86576%0.755SS**  trans-69.4104.4178.2-167.3-176.4-174.6-170.40105.8R163 S167R163-K165 VanDerWaalsContact C-N 3.29Å; R163-K165 PolarHBondContact O-N 3.37Å; K165-S167 PolarHBondContact O-N 3.18Å; K165-S167 VanDerWaalsContact O-N 3.08Å
166R31.7Very low31Very low235 Ų235152.6 Ų152.689%0.88777%0.772SS**PPolyproline II helixtrans-49.9119.5175.4-59.8-179.8-164.8165.52.7107.8H164 Y168H164-R166 PolarHBondContact O-N 3.09Å; H164-R166 VanDerWaalsContact O-N 3.09Å; R166-Y168 PolarHBondContact O-N 3.25Å
167S27.4Very low30.6Very low96 Ų96158.5 Ų158.567%0.67179%0.794SS**PPolyproline II helixtrans-65.2119.2164.4380000106.9K165 E169K165-S167 PolarHBondContact O-N 3.18Å; K165-S167 VanDerWaalsContact O-N 3.08Å; S167-E169 PolarHBondContact O-N 3.36Å
168Y28.6Very low30.9Very low226 Ų226156.4 Ų156.489%0.88678%0.782SS**PPolyproline II helixtrans-69.7118.2155.4-112.3-99.3000105.4R166R166-Y168 PolarHBondContact O-N 3.25Å
169E29.5Very low30.3Very low171 Ų171157.5 Ų157.580%0.79978%0.78SS**PPolyproline II helixtrans-83133.1162.8-65.4-176.4158.600106.6S167S167-E169 PolarHBondContact O-N 3.36Å
170D30.4Very low29.9Very low162 Ų162157.6 Ų157.687%0.86678%0.783SS**PPolyproline II helixtrans-67135.4176.2-81.1-47.9000109.3
171D31.5Very low29.8Very low167 Ų167159.4 Ų159.489%0.89378%0.783SS**  trans-105.3110.7168.3-144.38.4000106.6
172D31.2Very low29.6Very low149 Ų149163.5 Ų163.580%0.79779%0.792SS**  trans-70.6127.2178.9-89.1-49.6000110.5
173D31.1Very low29.4Very low153 Ų153165.4 Ų165.482%0.81880%0.795SS**  trans-163.5118142-113.9-20.1000115.7
174M32.3Very low29Very low154 Ų154160.5 Ų160.576%0.75978%0.782SS**  trans60.699.4139.1-65-69.5-74.500123.3
175D29.3Very low28.6Very low135 Ų135160.5 Ų160.572%0.72278%0.782SS**  35.4125128.7-86.1-33.5000122.9
176L27.4Very low28.3Very low172 Ų172155.5 Ų155.590%0.90178%0.778SS**  -178142.3102-91.7172.3000113.4
177Q24.4Very low27.8Very low175 Ų175148.2 Ų148.282%0.81878%0.776SS**  trans-101.6-170.2-177.2-81.1-165.89.200113.1
178P42.8Very low27.6Very low97 Ų97148.2 Ų148.263%0.6378%0.781SS**  -141176.5-54.940.8-24.9000115
179N24.7Very low27.4Very low133 Ų133149.4 Ų149.471%0.71178%0.784SS**  trans-177.2135137.4-101.7-28000110.5
180K25.9Very low27.2Very low168 Ų168150.4 Ų150.473%0.7379%0.789SS**  52.214075.7-61.1-175-174.7170.60113.8
181Q25.1Very low26.8Very low159 Ų159147.7 Ų147.774%0.74379%0.789SS**  cis-161.1136.3-5.6-110169.4-29.200105.5
182K26.3Very low26.3Very low177 Ų177143 Ų14377%0.7778%0.78SS**  69.2112.285.8-163.9-169.5-170.8-1740116.2
183D23.1Very low25.9Very low137 Ų137141.9 Ų141.973%0.73378%0.784SS**  trans-149.4122.1151.2-91.3-36.1000108.5
184Q24.6Very low25.5Very low135 Ų135141 Ų14163%0.63178%0.784SS**  78.9101.170.5-73-169.692.400113.1
185H24.3Very low25Very low170 Ų170137.4 Ų137.479%0.78779%0.786SS**  100.8154.399.6-83.7-29000111.8
186A22.8Very low24.7Very low95 Ų95134.9 Ų134.979%0.78579%0.792SS**  cis-165.9160-21.200000108.3
187G22.4Very low24.5Very low82 Ų82134.4 Ų134.485%0.84579%0.79SS**  trans169.7111.3171.500000114.4
188A23.1Very low24.4Very low95 Ų95133.8 Ų133.879%0.78579%0.787SS**  trans-110.7160.3-174.100000113.4
189R23.2Very low23.4Very low251 Ų251141.3 Ų141.395%0.94780%0.803SS**  trans-165.9149.1138.6-103.4156.7-165-151.13.2113.3
190Q25.1Very low23.2Very low193 Ų193140.6 Ų140.690%0.90281%0.807SS**  trans-73.4170.9-178.1-65.9148.8-2700111.8
191A22.2Very low23Very low105 Ų105135.5 Ų135.587%0.86880%0.802SS**  cis-172.1176.9-15.400000106.4
192G22Very low23.1Very low68 Ų68135.7 Ų135.770%0.70180%0.803SS**  cis158.2175.1-0.500000110.6
193S21.6Very low23Very low125 Ų125133 Ų13387%0.87480%0.804SS**  trans69.5140.1173.9-98.10000117.7
194V22.2Very low22.9Very low135 Ų135134.3 Ų134.382%0.81880%0.803SS**  cis-148144-2.61790000110.3
195G22.3Very low22.8Very low79 Ų79138.6 Ų138.681%0.81481%0.813SS**  trans100.6141.9136.800000119.9
196G23.1Very low22.6Very low82 Ų82137.6 Ų137.685%0.84581%0.813SS**  trans133.386.7159.500000116.8
197L23.7Very low22.8Very low161 Ų161141.8 Ų141.884%0.84382%0.816SS**  trans-43.1162.2169.7-79.5142.1000118.5
198Q23Very low22.8Very low162 Ų162144.2 Ų144.276%0.75782%0.815SS**  trans78.593.1149.2-132.575.626.400119
199W20.4Very low22.7Very low255 Ų255148.6 Ų148.697%0.96682%0.819SS**  trans-80.1119.5159.8-174.3-80.4000110.1
200C20.5Very low22.7Very low118 Ų118141 Ų14180%0.79781%0.809SS**  trans-158.5119.1167.8-1580000113.1
201G22.5Very low22.5Very low61 Ų61137.7 Ų137.763%0.62981%0.808SS**  trans81.3126144.300000120
202E26.3Very low22.6Very low164 Ų164139.8 Ų139.877%0.76681%0.81SS**  trans72.2141.1159-67.3-145.6157.400117.1
203P24.8Very low22.5Very low120 Ų120140.1 Ų140.178%0.77981%0.813SS**  -139.5149.766.437.2-19000118.6
204K21Very low22.6Very low165 Ų165142.8 Ų142.872%0.71781%0.812SS**  trans-9.2135.6135.7-59.1160.1-179.9165.70116.1
205R21.8Very low22.6Very low224 Ų224144.2 Ų144.285%0.84581%0.81SS**  174.1126.7107.1-93.5-165.5162.7108.1-6.4109.2
206L21.8Very low22.8Very low149 Ų149146.9 Ų146.978%0.7881%0.805SS**  84126.879.9-132.6100.4000112.1
207E25.6Very low22.9Very low184 Ų184150 Ų15086%0.8680%0.802SS**  trans-65.9148.2173.8-58.9161.3138.800111.1
208T22.5Very low22.9Very low132 Ų132148.2 Ų148.281%0.8180%0.803SS**  trans-150.4112.6164.1-51.50000109.4
209E21.7Very low23.1Very low187 Ų187147.4 Ų147.487%0.87480%0.803SS**  trans-66.7159.4159.8-43.6178.8124.500109.1
210A23.3Very low23.5Very low91 Ų91142 Ų14275%0.75279%0.793SS**  cis-156.9179.14.400000108
211S20.6Very low23.7Very low125 Ų125146 Ų14687%0.87480%0.797SS**  trans-167.413113616.80000112.5
212T23.3Very low23.9Very low149 Ų149147.9 Ų147.991%0.91480%0.8SS**  trans-86.8129.2169.7420000110.7
213G21.2Very low24.1Very low74 Ų74144.7 Ų144.776%0.76380%0.797SS**  trans-177.686.6177.700000114.8
214Q22.7Very low25Very low181 Ų181144.8 Ų144.885%0.84680%0.797SS**  trans37.1114.9155.6-70.6175.5-33.100122.1
215Q23.4Very low26.7Very low166 Ų166142.9 Ų142.978%0.77679%0.789SS**  trans80130.9130.9-74.5-173.6-16.600123.5
216L25.9Very low29.1Very low135 Ų135137.8 Ų137.871%0.70778%0.779SS**  trans64.280.8140.8-70161000119.3
217N24.8Very low31.9Very low148 Ų148132.6 Ų132.679%0.79175%0.752SS**  165.2110.3110.8-86.3-27000111.4
218S24.3Very low34.6Very low123 Ų123124.4 Ų124.486%0.8671%0.713SS**  trans-128.590.5163.960.50000109.3
219L26.7Very low37.7Very low144 Ų144120 Ų12075%0.75468%0.683SS**  trans-70.2138.9174.9-83.1152.6000110.9
220N28.6Very low40.6Very low141 Ų141111.5 Ų111.575%0.75464%0.644SS**  trans62.472155.4-57.9-7.1000117.8
221F24.4Very low43.6Very low204 Ų204107.4 Ų107.490%0.89561%0.61SS**SBend-110.6153.2125.4-79.7-88.5000108.5
222S27.1Very low46.3Very low99 Ų99105.7 Ų105.769%0.69260%0.595SS**  trans-46.7143173.249.40000111
223S31.3Very low48.7Very low98 Ų98102.1 Ų102.169%0.68559%0.588SS**  trans-33.9129.4-179.852.20000112.2F225S223-F225 PolarHBondContact O-N 2.92Å; S223-F225 VanDerWaalsContact O-N 3.15Å
224P43.7Very low51.4Low122 Ų122100.3 Ų100.379%0.79256%0.56SS**  trans-54.2127.7178.324.3-33.3000108.5D226P224-D226 PolarHBondContact O-N 3.34Å
225F55.6Low53.9Low124 Ų124100.8 Ų100.854%0.54456%0.559SS.*  trans-57111.3174.8-91.1-93.1000107.8S223 L227 L303S223-F225 PolarHBondContact O-N 2.92Å; S223-F225 VanDerWaalsContact O-N 3.15Å; F225-L227 PolarHBondContact O-N 2.85Å; F225-L227 VanDerWaalsContact O-N 3.09Å; F225-L303 HydrophobicContact CB-CD1 4.32Å; F225-L303 HydrophobicContact CD1-CD1 4.19Å; F225-L303 HydrophobicContact CD2-CD1 3.72Å; F225-L303 HydrophobicContact CE1-CD1 4.44Å; F225-L303 HydrophobicContact CE2-CD1 4Å; F225-L303 HydrophobicContact CG-CD1 3.83Å; F225-L303 HydrophobicContact CZ-CD1 4.35Å
226D73.3Confident56.6Low117 Ų11794.5 Ų94.563%0.62654%0.539SS*.  trans-72104.7177.2-172.9-1.2000108.3P224 N228P224-D226 PolarHBondContact O-N 3.34Å; D226-N228 PolarHBondContact O-N 3.39Å; D226-N228 VanDerWaalsContact O-N 3.16Å; D226-N228 WeakPolarHBondContact OD1-CA 3.47Å; D226-N228 PolarHBondContact OD1-N 2.96Å
227L79.1Confident59.4Low41 Ų4189.3 Ų89.322%0.21551%0.514CS..  trans-74.310.3176-62.7178.1000112.4Y130 F225 F229 A238 V304Y130-L227 PolarHBondContact OH-O 2.82Å; Y130-L227 VanDerWaalsContact OH-O 3.08Å; F225-L227 PolarHBondContact O-N 2.85Å; F225-L227 VanDerWaalsContact O-N 3.09Å; L227-F229 VanDerWaalsContact C-N 3.27Å; L227-F229 HydrophobicContact CB-CD1 4.48Å; L227-F229 HydrophobicContact CB-CD2 4.18Å; L227-F229 HydrophobicContact CB-CE1 4.01Å; L227-F229 HydrophobicContact CB-CE2 3.69Å; L227-F229 HydrophobicContact CB-CZ 3.59Å; L227-F229 HydrophobicContact CD1-CE2 3.81Å; L227-F229 HydrophobicContact CD1-CZ 3.62Å; L227-F229 HydrophobicContact CG-CE2 4.37Å; L227-F229 HydrophobicContact CG-CZ 4.26Å; L227-F229 PolarHBondContact O-N 2.66Å; L227-A238 HydrophobicContact CB-CB 4.44Å; L227-A238 HydrophobicContact CD2-CB 4.35Å; L227-V304 HydrophobicContact CD2-CG2 3.93Å
228N83.8Confident62.4Low11 Ų1182.3 Ų82.36%0.05948%0.476CS..  trans59.233.9169.9-166.837.5000113Q73 D226 L443 V444 S445Q73-N228 PolarHBondContact NE2-O 3.38Å; Q73-N228 PolarHBondContact OE1-ND2 2.95Å; Q73-N228 PolarHBondContact OE1-O 3.44Å; Q73-N228 VanDerWaalsContact OE1-O 3.12Å; D226-N228 PolarHBondContact O-N 3.39Å; D226-N228 VanDerWaalsContact O-N 3.16Å; D226-N228 WeakPolarHBondContact OD1-CA 3.47Å; D226-N228 PolarHBondContact OD1-N 2.96Å; N228-L443 PolarHBondContact ND2-O 3.26Å; N228-V444 WeakPolarHBondContact OD1-CA 3.49Å; N228-S445 VanDerWaalsContact O-CB 3.3Å; N228-S445 WeakPolarHBondContact O-CB 3.46Å; N228-S445 PolarHBondContact O-OG 3.12Å; N228-S445 WeakPolarHBondContact OD1-CB 3.2Å; N228-S445 PolarHBondContact OD1-N 3.29Å; N228-S445 PolarHBondContact OD1-OG 3.26Å; N228-S445 VanDerWaalsContact OD1-OG 3.11Å
229F86.9Confident65.6Low40 Ų4076.4 Ų76.418%0.17544%0.435CS..  trans-69.6134.9-179-62.7-46.6000111.4V132 P133 L227 L231 E234 G236 A238 S445V132-F229 HydrophobicContact CB-CD1 4.27Å; V132-F229 HydrophobicContact CB-CE1 4.5Å; V132-F229 HydrophobicContact CG1-CD1 4.01Å; V132-F229 HydrophobicContact CG1-CE1 4.27Å; P133-F229 HydrophobicContact CG-CD1 4.48Å; P133-F229 HydrophobicContact CG-CE1 4.16Å; L227-F229 VanDerWaalsContact C-N 3.27Å; L227-F229 HydrophobicContact CB-CD1 4.48Å; L227-F229 HydrophobicContact CB-CD2 4.18Å; L227-F229 HydrophobicContact CB-CE1 4.01Å; L227-F229 HydrophobicContact CB-CE2 3.69Å; L227-F229 HydrophobicContact CB-CZ 3.59Å; L227-F229 HydrophobicContact CD1-CE2 3.81Å; L227-F229 HydrophobicContact CD1-CZ 3.62Å; L227-F229 HydrophobicContact CG-CE2 4.37Å; L227-F229 HydrophobicContact CG-CZ 4.26Å; L227-F229 PolarHBondContact O-N 2.66Å; F229-L231 PolarHBondContact O-N 3.49Å; F229-E234 HydrophobicContact CB-CB 4.19Å; F229-E234 HydrophobicContact CD2-CB 4.34Å; F229-E234 HydrophobicContact CG-CB 4.34Å; F229-G236 WeakPolarHBondContact CZ-O 3.35Å; F229-A238 HydrophobicContact CE1-CB 4.19Å; F229-S445 PolarHBondContact O-OG 3.22Å
230P83.5Confident68.7Low8 Ų869.6 Ų69.65%0.05240%0.399CS..SBendtrans-59.7-30.8-177.9-2736.7000114.6M71 P135 L447 Q449M71-P230 HydrophobicContact CE-CG 4.29Å; P135-P230 HydrophobicContact CG-CB 4.39Å; P135-P230 HydrophobicContact CG-CG 3.92Å; P230-L447 WeakPolarHBondContact O-CA 3.21Å; P230-Q449 HydrophobicContact CB-CB 4.21Å; P230-Q449 HydrophobicContact CG-CB 4.3Å
231L85.9Confident71.8Confident5 Ų563 Ų633%0.02636%0.364CS..SBendtrans-116140.3-174.9-62.9178.3000112.4P135 F229 G233 E234 F418 L447 L450P135-L231 HydrophobicContact CB-CD1 3.97Å; P135-L231 HydrophobicContact CB-CG 4.32Å; F229-L231 PolarHBondContact O-N 3.49Å; L231-G233 PolarHBondContact O-N 2.81Å; L231-E234 HydrophobicContact CB-CG 3.82Å; L231-E234 PolarHBondContact O-N 2.88Å; L231-F418 HydrophobicContact CB-CD2 4.49Å; L231-F418 HydrophobicContact CB-CE2 4.36Å; L231-F418 HydrophobicContact CD1-CB 4.12Å; L231-F418 HydrophobicContact CD1-CD2 3.63Å; L231-F418 HydrophobicContact CD1-CE2 4.29Å; L231-F418 HydrophobicContact CD1-CG 3.95Å; L231-F418 HydrophobicContact CD2-CD1 3.95Å; L231-F418 HydrophobicContact CD2-CD2 3.73Å; L231-F418 HydrophobicContact CD2-CE1 4.01Å; L231-F418 HydrophobicContact CD2-CE2 3.77Å; L231-F418 HydrophobicContact CD2-CG 3.81Å; L231-F418 HydrophobicContact CD2-CZ 3.91Å; L231-F418 HydrophobicContact CG-CD2 4.16Å; L231-F418 HydrophobicContact CG-CE2 4.37Å; L231-L447 HydrophobicContact CD2-CG 3.89Å; L231-L450 HydrophobicContact CD1-CD2 3.87Å; L231-L450 HydrophobicContact CD2-CD2 4.05Å; L231-L450 HydrophobicContact CG-CD2 4.09Å
232P77.2Confident75Confident89 Ų8953.7 Ų53.758%0.57832%0.323SS*.THydrogen-bonded Turntrans-67.4133.8-177.927.6-34.6000111.6E234 F418P232-E234 VanDerWaalsContact C-N 3.34Å; P232-F418 HydrophobicContact CG-CZ 4.49Å
233G72.7Confident78.1Confident74 Ų7449.1 Ų49.176%0.76329%0.291SS*.THydrogen-bonded Turntrans81.76.7177.100000115.2L231L231-G233 PolarHBondContact O-N 2.81Å
234E78.6Confident80.8Confident36 Ų3645.2 Ų45.217%0.16826%0.262CS..  trans-63.9145.5172.5-71.2-162.7141.300112.6P135 G136 F229 L231 P232P135-E234 WeakPolarHBondContact CA-OE1 3.28Å; G136-E234 PolarHBondContact N-OE1 2.68Å; F229-E234 HydrophobicContact CB-CB 4.19Å; F229-E234 HydrophobicContact CD2-CB 4.34Å; F229-E234 HydrophobicContact CG-CB 4.34Å; L231-E234 HydrophobicContact CB-CG 3.82Å; L231-E234 PolarHBondContact O-N 2.88Å; P232-E234 VanDerWaalsContact C-N 3.34Å
235K75.7Confident82.7Confident191 Ų19142.6 Ų42.683%0.8324%0.239SC*.  trans-135.2125-179.3-62.4-179.8-175.6177.70108.2
236G79.6Confident84Confident34 Ų3442.6 Ų42.635%0.35124%0.244SC..SBendtrans171.5178177.200000111.1F229F229-G236 WeakPolarHBondContact CZ-O 3.35Å
237P83.8Confident84.5Confident27 Ų2739.8 Ų39.818%0.17523%0.225CC..  trans-81.5120.4177.632.6-33.6000110.6L52 F68 P133L52-P237 HydrophobicContact CD1-CB 4.5Å; L52-P237 HydrophobicContact CD2-CB 4.03Å; L52-P237 HydrophobicContact CD2-CG 4.22Å; L52-P237 HydrophobicContact CG-CB 3.92Å; L52-P237 HydrophobicContact CG-CG 3.86Å; F68-P237 HydrophobicContact CE2-CG 3.87Å; P133-P237 WeakPolarHBondContact CD-O 3.15Å
238A89.1Confident84.8Confident0 Ų044.2 Ų44.20%025%0.249CC..  trans-75.2144.9155.500000108.7Y130 C131 L227 F229 V304 P305Y130-A238 HydrophobicContact CE1-CB 4.3Å; Y130-A238 HydrophobicContact CE2-CB 4.45Å; Y130-A238 VanDerWaalsContact OH-CB 3.31Å; Y130-A238 WeakPolarHBondContact OH-CB 3.47Å; C131-A238 WeakPolarHBondContact O-CA 3.4Å; L227-A238 HydrophobicContact CB-CB 4.44Å; L227-A238 HydrophobicContact CD2-CB 4.35Å; F229-A238 HydrophobicContact CE1-CB 4.19Å; A238-V304 HydrophobicContact CB-CG2 4.34Å; A238-P305 WeakPolarHBondContact O-CD 3.35Å
239C90.4Very high84.9Confident0 Ų047.5 Ų47.50%027%0.272CS..EExtended strand (participates in β ladder)trans-148.6138.8-176.5179.80000111.4L52 F68 C131 P305L52-C239 HydrophobicContact CD2-CB 4.04Å; F68-C239 HydrophobicContact CD1-CB 4.15Å; F68-C239 HydrophobicContact CE1-CB 3.52Å; F68-C239 HydrophobicContact CZ-CB 3.98Å; C131-C239 PolarHBondContact N-O 3.21Å; C131-C239 PolarHBondContact O-N 3.39Å; C239-P305 WeakPolarHBondContact CA-O 3.41Å; C239-P305 HydrophobicContact CB-CG 4.43Å; C239-P305 PolarHBondContact SG-O 2.85Å
240L91.9Very high85Confident1 Ų146.7 Ų46.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-84.8119.3169.7-70.3172.7000109.2F76 T128 Y130 H297 P299 V304 P305 R306 I307F76-L240 HydrophobicContact CD2-CD2 4.21Å; F76-L240 HydrophobicContact CE2-CD2 3.61Å; T128-L240 HydrophobicContact CG2-CD2 4.06Å; Y130-L240 HydrophobicContact CD2-CD2 3.83Å; L240-H297 WeakPolarHBondContact CD1-O 3.46Å; L240-P299 HydrophobicContact CD1-CG 3.87Å; L240-V304 HydrophobicContact CD1-CG1 4.46Å; L240-V304 HydrophobicContact CG-CG1 3.93Å; L240-P305 PolarHBondContact N-O 3.48Å; L240-R306 HydrophobicContact CB-CG 3.94Å; L240-R306 HydrophobicContact CD1-CG 4.21Å; L240-R306 CarbonylContact O-C 3.38Å; L240-R306 VanDerWaalsContact O-CA 3.32Å; L240-R306 WeakPolarHBondContact O-CA 3.42Å; L240-I307 PolarHBondContact O-N 3.34Å
241V93.3Very high85.4Confident1 Ų153.2 Ų53.21%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-109.5116.8-174173.50000108.9F68 F129 C131 V243 L258 V309F68-V241 HydrophobicContact CD1-CG2 4.35Å; F68-V241 HydrophobicContact CE1-CG2 4.44Å; F129-V241 HydrophobicContact CB-CB 4.4Å; F129-V241 PolarHBondContact N-O 3.1Å; F129-V241 PolarHBondContact O-N 3.38Å; C131-V241 HydrophobicContact CB-CG2 3.73Å; V241-V243 HydrophobicContact CG1-CG2 4.17Å; V241-L258 HydrophobicContact CB-CD1 4.2Å; V241-L258 HydrophobicContact CG1-CD1 3.5Å; V241-L258 VanDerWaalsContact CG1-CD1 3.5Å; V241-L258 HydrophobicContact CG1-CD2 4.39Å; V241-L258 HydrophobicContact CG2-CD1 3.61Å; V241-V309 HydrophobicContact CG1-CG2 3.34Å
242K93.1Very high85.6Confident9 Ų954.2 Ų54.24%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-104.6116.9-176.3-58.6-164.8172.8-169.80110.5E79 D104 Q127 I307 V309E79-K242 VanDerWaalsContact CD-NZ 3.28Å; E79-K242 WeakPolarHBondContact OE1-CE 3.38Å; E79-K242 IonicContact OE1-NZ 2.74Å; E79-K242 PolarHBondContact OE1-NZ 2.88Å; E79-K242 WeakPolarHBondContact OE2-CE 3.48Å; E79-K242 IonicContact OE2-NZ 3.41Å; E79-K242 PolarHBondContact OE2-NZ 3.48Å; D104-K242 WeakPolarHBondContact OD1-CE 3.46Å; D104-K242 IonicContact OD1-NZ 3.38Å; D104-K242 PolarHBondContact OD1-NZ 3.48Å; Q127-K242 WeakPolarHBondContact O-CA 3.35Å; K242-I307 PolarHBondContact N-O 2.88Å; K242-V309 PolarHBondContact O-N 2.82Å
243V92Very high86.3Confident4 Ų451 Ų512%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-112.7133.2-174.9-179.70000109.6Q127 F129 V241 E245 W247 F250 V309Q127-V243 PolarHBondContact N-O 2.86Å; Q127-V243 PolarHBondContact O-N 3.48Å; F129-V243 HydrophobicContact CD2-CB 4.49Å; F129-V243 HydrophobicContact CD2-CG2 3.86Å; F129-V243 HydrophobicContact CE2-CB 4.09Å; F129-V243 HydrophobicContact CE2-CG2 3.78Å; V241-V243 HydrophobicContact CG1-CG2 4.17Å; V243-E245 WeakPolarHBondContact CG1-O 3.5Å; V243-W247 HydrophobicContact CB-CB 4.4Å; V243-W247 HydrophobicContact CG1-CB 3.96Å; V243-F250 HydrophobicContact CG1-CE2 4.3Å; V243-V309 HydrophobicContact CG2-CB 4.21Å; V243-V309 HydrophobicContact CG2-CG2 3.94Å
244Y86.8Confident87.3Confident16 Ų1648.6 Ų48.66%0.06325%0.25CC..  trans-108.1-14.4-172.7-65.4-85.8000114.7Y81 K101 Y102 R126 W247 H308Y81-Y244 HydrophobicContact CD1-CE1 4.27Å; Y81-Y244 HydrophobicContact CD2-CE1 4.43Å; Y81-Y244 AromaticContact CE1-CD1 3.75Å; Y81-Y244 HydrophobicContact CE1-CD1 3.75Å; Y81-Y244 AromaticContact CE1-CE1 3.67Å; Y81-Y244 HydrophobicContact CE1-CE1 3.67Å; Y81-Y244 HydrophobicContact CE2-CD1 4.38Å; Y81-Y244 AromaticContact CE2-CE1 3.84Å; Y81-Y244 HydrophobicContact CE2-CE1 3.84Å; Y81-Y244 AromaticContact CZ-CD1 3.58Å; Y81-Y244 AromaticContact CZ-CE1 3.45Å; Y81-Y244 VanDerWaalsContact CZ-CE1 3.45Å; Y81-Y244 WeakPolarHBondContact OH-CD1 3.46Å; K101-Y244 VanDerWaalsContact CE-CB 3.47Å; K101-Y244 HydrophobicContact CG-CD1 3.84Å; K101-Y244 HydrophobicContact CG-CD2 4.36Å; K101-Y244 HydrophobicContact CG-CE1 3.95Å; K101-Y244 HydrophobicContact CG-CE2 4.49Å; K101-Y244 HydrophobicContact CG-CG 4.04Å; Y102-Y244 WeakPolarHBondContact CA-OH 3.29Å; Y102-Y244 AromaticContact CD1-CD2 3.94Å; Y102-Y244 HydrophobicContact CD1-CD2 3.94Å; Y102-Y244 AromaticContact CD1-CE2 3.7Å; Y102-Y244 HydrophobicContact CD1-CE2 3.7Å; Y102-Y244 AromaticContact CE1-CD2 3.9Å; Y102-Y244 HydrophobicContact CE1-CD2 3.9Å; Y102-Y244 HydrophobicContact CE1-CE2 4.16Å; Y102-Y244 HydrophobicContact CG-CE2 4.47Å; Y102-Y244 VanDerWaalsContact N-CZ 3.34Å; Y102-Y244 PolarHBondContact N-OH 3.33Å; R126-Y244 HydrophobicContact CB-CD1 3.8Å; R126-Y244 HydrophobicContact CB-CE1 3.9Å; R126-Y244 HydrophobicContact CG-CE1 4.39Å; R126-Y244 PolarHBondContact NH1-OH 2.93Å; Y244-W247 WeakPolarHBondContact O-CZ3 3.25Å; Y244-H308 HydrophobicContact CE2-CB 4.1Å; Y244-H308 AromaticContact CE2-ND1 3.99Å; Y244-H308 AromaticContact CZ-ND1 3.85Å; Y244-H308 PolarHBondContact OH-ND1 2.93Å
245E84Confident88Confident67 Ų6747.4 Ų47.431%0.31324%0.244SC..SBendtrans-148150.9-175.5-77166.2-115.700109I33 K101 V243 W247I33-E245 WeakPolarHBondContact CD1-OE2 3.49Å; K101-E245 IonicContact NZ-OE1 2.94Å; K101-E245 PolarHBondContact NZ-OE1 3Å; V243-E245 WeakPolarHBondContact CG1-O 3.5Å; E245-W247 PolarHBondContact O-N 3.48Å; E245-W247 VanDerWaalsContact O-N 3.08Å
246D82.4Confident88.8Confident124 Ų12438.4 Ų38.466%0.66321%0.205SC*.  trans5325.5174.2-62.8-26.6000116.3D248 C249D246-D248 PolarHBondContact O-N 3.04Å; D246-C249 VanDerWaalsContact O-CB 3.3Å; D246-C249 WeakPolarHBondContact O-CB 3.19Å; D246-C249 PolarHBondContact O-N 2.7Å; D246-C249 VanDerWaalsContact O-N 3.08Å
247W84.7Confident89.4Confident57 Ų5738.2 Ų38.222%0.21620%0.195CC..G310 helixtrans-61.7-28.2-175.557.674000114E125 Q127 F129 V243 Y244 E245 C249 F250E125-W247 HydrophobicContact CG-CH2 3.74Å; E125-W247 HydrophobicContact CG-CZ2 4.3Å; Q127-W247 HydrophobicContact CB-CB 3.7Å; Q127-W247 HydrophobicContact CB-CD2 3.96Å; Q127-W247 HydrophobicContact CB-CE3 4.35Å; Q127-W247 HydrophobicContact CB-CG 3.66Å; Q127-W247 HydrophobicContact CG-CB 4.04Å; Q127-W247 HydrophobicContact CG-CG 4.17Å; F129-W247 HydrophobicContact CE2-CB 4.28Å; F129-W247 HydrophobicContact CZ-CB 4.27Å; V243-W247 HydrophobicContact CB-CB 4.4Å; V243-W247 HydrophobicContact CG1-CB 3.96Å; Y244-W247 WeakPolarHBondContact O-CZ3 3.25Å; E245-W247 PolarHBondContact O-N 3.48Å; E245-W247 VanDerWaalsContact O-N 3.08Å; W247-C249 PolarHBondContact O-N 3.08Å; W247-F250 PolarHBondContact O-N 3.42Å
248D85.1Confident89.8Confident135 Ų13537 Ų3772%0.72219%0.187SC*.G310 helixtrans-56.8-18.9174.3-65.2-25.6000113.9D246 F250D246-D248 PolarHBondContact O-N 3.04Å; D248-F250 PolarHBondContact O-N 3.24Å
249C86.2Confident90Very high79 Ų7937.7 Ų37.753%0.53419%0.19SC..G310 helixtrans-72.8-15.2176.3-66.20000113.5D246 W247D246-C249 VanDerWaalsContact O-CB 3.3Å; D246-C249 WeakPolarHBondContact O-CB 3.19Å; D246-C249 PolarHBondContact O-N 2.7Å; D246-C249 VanDerWaalsContact O-N 3.08Å; W247-C249 PolarHBondContact O-N 3.08Å
250F90.2Very high90.1Very high24 Ų2437.7 Ų37.711%0.10519%0.19CC..  trans-109.1138.8-173.3-53.1-52.7000111.7I72 F129 V243 W247 D248 L256 A312I72-F250 HydrophobicContact CD1-CB 3.69Å; I72-F250 HydrophobicContact CD1-CG 4.5Å; F129-F250 HydrophobicContact CE2-CD2 4.46Å; F129-F250 HydrophobicContact CZ-CB 4.16Å; V243-F250 HydrophobicContact CG1-CE2 4.3Å; W247-F250 PolarHBondContact O-N 3.42Å; D248-F250 PolarHBondContact O-N 3.24Å; F250-L256 HydrophobicContact CD1-CD1 3.86Å; F250-L256 HydrophobicContact CD1-CD2 3.52Å; F250-L256 HydrophobicContact CD1-CG 4.37Å; F250-L256 HydrophobicContact CE1-CD1 4.13Å; F250-L256 HydrophobicContact CE1-CD2 3.73Å; F250-L256 HydrophobicContact CG-CD1 4.08Å; F250-L256 HydrophobicContact CG-CD2 4.45Å; F250-A312 HydrophobicContact CE1-CB 4.2Å; F250-A312 HydrophobicContact CE2-CB 4.02Å; F250-A312 HydrophobicContact CZ-CB 3.46Å; F250-A312 VanDerWaalsContact CZ-CB 3.46Å
251K90.9Very high90Very high144 Ų14437.7 Ų37.763%0.62619%0.19SC*.  trans-130157.2-179.8-59.7-170.4178.3-169.50110.8N253 D254K251-N253 PolarHBondContact O-N 3.44Å; K251-D254 PolarHBondContact N-OD2 2.85Å; K251-D254 WeakPolarHBondContact O-CB 3.32Å; K251-D254 PolarHBondContact O-N 2.74Å
252V90.4Very high89.9Confident27 Ų2737.6 Ų37.616%0.16419%0.19CC..THydrogen-bonded Turntrans-52.9138.2169.9-179.40000109.8Q73 D254 Y490 F499Q73-V252 WeakPolarHBondContact O-CG1 3.32Å; V252-D254 VanDerWaalsContact C-N 3.28Å; V252-D254 PolarHBondContact O-N 3.38Å; V252-Y490 HydrophobicContact CG1-CE2 4.18Å; V252-F499 HydrophobicContact CB-CE1 4.35Å
253N91.5Very high89.5Confident22 Ų2237.5 Ų37.512%0.11819%0.19CC..THydrogen-bonded Turntrans71.72.1-171.7-42.9-46.9000116.4I72 K251 Q449 Y490I72-N253 PolarHBondContact O-N 3.17Å; K251-N253 PolarHBondContact O-N 3.44Å; N253-Q449 WeakPolarHBondContact OD1-CG 3.34Å; N253-Q449 PolarHBondContact OD1-NE2 2.87Å; N253-Y490 PolarHBondContact ND2-OH 3.22Å; N253-Y490 PolarHBondContact OD1-OH 3.45Å
254D92.6Very high88.9Confident23 Ų2339.4 Ų39.412%0.12320%0.202CC..  trans-69.2141.6168.8-76.7-28.5000111.2M71 I72 K251 V252 L256 K314M71-D254 WeakPolarHBondContact CA-O 3.37Å; I72-D254 PolarHBondContact N-O 2.97Å; K251-D254 PolarHBondContact N-OD2 2.85Å; K251-D254 WeakPolarHBondContact O-CB 3.32Å; K251-D254 PolarHBondContact O-N 2.74Å; V252-D254 VanDerWaalsContact C-N 3.28Å; V252-D254 PolarHBondContact O-N 3.38Å; D254-L256 HydrophobicContact CB-CD2 4.41Å; D254-K314 WeakPolarHBondContact OD1-CE 3.16Å; D254-K314 IonicContact OD1-NZ 2.75Å; D254-K314 PolarHBondContact OD1-NZ 2.96Å; D254-K314 WeakPolarHBondContact OD2-CE 3.37Å; D254-K314 IonicContact OD2-NZ 3.98Å; D254-K314 PolarHBondContact OD2-NZ 2.8Å
255I93.7Very high88Confident11 Ų1140.9 Ų40.96%0.05621%0.211CC..EExtended strand (participates in β ladder)trans-95.3124.8173-45.8175.4000108.9C70 V134 L315 I318 P451C70-I255 CarbonylContact O-C 3.46Å; C70-I255 WeakPolarHBondContact O-CA 3.32Å; C70-I255 WeakPolarHBondContact O-CG2 3.36Å; V134-I255 HydrophobicContact CG1-CD1 4.33Å; V134-I255 HydrophobicContact CG2-CG2 3.84Å; I255-L315 HydrophobicContact CB-CB 4.33Å; I255-L315 HydrophobicContact CG2-CB 4.25Å; I255-L315 HydrophobicContact CG2-CD1 4.07Å; I255-L315 PolarHBondContact O-N 3.36Å; I255-I318 HydrophobicContact CD1-CG2 3.85Å; I255-I318 HydrophobicContact CG2-CG2 3.76Å; I255-P451 HydrophobicContact CD1-CB 3.64Å; I255-P451 HydrophobicContact CG1-CB 3.8Å
256L93.2Very high86.9Confident1 Ų141.6 Ų41.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-117.6145.6178.6-54.5-170.8000111.6R69 C70 I72 F250 D254 L258 Q313 K314R69-L256 WeakPolarHBondContact CA-O 3.38Å; C70-L256 PolarHBondContact N-O 2.88Å; C70-L256 PolarHBondContact O-N 2.83Å; I72-L256 HydrophobicContact CD1-CD1 3.88Å; I72-L256 HydrophobicContact CD1-CG 4.38Å; I72-L256 HydrophobicContact CG1-CD1 4.21Å; I72-L256 HydrophobicContact CG1-CG 4.46Å; F250-L256 HydrophobicContact CD1-CD1 3.86Å; F250-L256 HydrophobicContact CD1-CD2 3.52Å; F250-L256 HydrophobicContact CD1-CG 4.37Å; F250-L256 HydrophobicContact CE1-CD1 4.13Å; F250-L256 HydrophobicContact CE1-CD2 3.73Å; F250-L256 HydrophobicContact CG-CD1 4.08Å; F250-L256 HydrophobicContact CG-CD2 4.45Å; D254-L256 HydrophobicContact CB-CD2 4.41Å; L256-L258 HydrophobicContact CB-CD2 3.92Å; L256-L258 HydrophobicContact CB-CG 4.01Å; L256-L258 HydrophobicContact CD1-CD2 3.79Å; L256-Q313 WeakPolarHBondContact CA-O 3.45Å; L256-K314 HydrophobicContact CD2-CB 4Å; L256-K314 HydrophobicContact CD2-CG 4.29Å
257E91.9Very high85.9Confident31 Ų3138.7 Ų38.715%0.14521%0.208CC..EExtended strand (participates in β ladder)trans-103.2117.3154.6-168.8175.5-104.200108Y259 Q313 L315E257-Y259 HydrophobicContact CG-CE2 3.78Å; E257-Y259 WeakPolarHBondContact OE2-CE2 3.43Å; E257-Y259 PolarHBondContact OE2-OH 2.97Å; E257-Q313 PolarHBondContact N-O 3.2Å; E257-Q313 PolarHBondContact O-N 3.07Å; E257-L315 HydrophobicContact CB-CD1 4.13Å; E257-L315 HydrophobicContact CB-CD2 3.98Å; E257-L315 HydrophobicContact CB-CG 4.1Å
258L93Very high84.6Confident1 Ų137 Ų371%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-109.2143.3-174.6-59.8171.7000109.9K67 F68 C70 V241 L256 V309 A312K67-L258 CarbonylContact C-O 3.59Å; K67-L258 WeakPolarHBondContact CA-O 3.33Å; F68-L258 HydrophobicContact CD1-CD1 4.18Å; F68-L258 PolarHBondContact N-O 3.2Å; F68-L258 PolarHBondContact O-N 2.85Å; C70-L258 VanDerWaalsContact SG-CD1 3.5Å; V241-L258 HydrophobicContact CB-CD1 4.2Å; V241-L258 HydrophobicContact CG1-CD1 3.5Å; V241-L258 VanDerWaalsContact CG1-CD1 3.5Å; V241-L258 HydrophobicContact CG1-CD2 4.39Å; V241-L258 HydrophobicContact CG2-CD1 3.61Å; L256-L258 HydrophobicContact CB-CD2 3.92Å; L256-L258 HydrophobicContact CB-CG 4.01Å; L256-L258 HydrophobicContact CD1-CD2 3.79Å; L258-V309 HydrophobicContact CD2-CG1 4.31Å; L258-V309 HydrophobicContact CD2-CG2 4.09Å; L258-A312 HydrophobicContact CD2-CB 3.57Å
259Y92.1Very high83Confident15 Ų1532.9 Ų32.96%0.05918%0.184CC..EExtended strand (participates in β ladder)trans-128.7125.9169.7-60.1-97.9000108.5L40 P46 V49 F65 V66 K67 E257 I310 L311L40-Y259 HydrophobicContact CD1-CD1 3.76Å; L40-Y259 HydrophobicContact CD1-CD2 4.14Å; L40-Y259 HydrophobicContact CD1-CE1 4.14Å; L40-Y259 HydrophobicContact CD1-CG 3.77Å; L40-Y259 HydrophobicContact CD2-CD1 4Å; L40-Y259 HydrophobicContact CD2-CE1 3.98Å; P46-Y259 HydrophobicContact CB-CE1 4.37Å; V49-Y259 HydrophobicContact CG1-CD1 4.41Å; V49-Y259 HydrophobicContact CG2-CD1 4.45Å; V49-Y259 HydrophobicContact CG2-CE1 4.48Å; F65-Y259 HydrophobicContact CE1-CD1 4.08Å; V66-Y259 WeakPolarHBondContact O-CA 3.36Å; K67-Y259 HydrophobicContact CB-CD1 3.75Å; K67-Y259 HydrophobicContact CB-CE1 3.71Å; K67-Y259 HydrophobicContact CB-CG 4.45Å; K67-Y259 HydrophobicContact CD-CE1 4.27Å; E257-Y259 HydrophobicContact CG-CE2 3.78Å; E257-Y259 WeakPolarHBondContact OE2-CE2 3.43Å; E257-Y259 PolarHBondContact OE2-OH 2.97Å; Y259-I310 PolarHBondContact O-N 3.16Å; Y259-L311 PolarHBondContact N-O 3.27Å; Y259-L311 PolarHBondContact O-N 3.07Å
260G92.2Very high81.2Confident0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-169.3-179.5-169.400000114F65 V66 H308F65-G260 WeakPolarHBondContact CA-O 3.47Å; V66-G260 PolarHBondContact N-O 3.33Å; V66-G260 PolarHBondContact O-N 3.43Å; G260-H308 CarbonylContact C-O 3.52Å; G260-H308 WeakPolarHBondContact CA-O 3.48Å
261I91.4Very high79.2Confident0 Ų034.6 Ų34.60%019%0.188CC..EExtended strand (participates in β ladder)trans-94.3125.5-179.1-53.6-173.1000108.9P11 L12 N63 Y102 S263 I307 H308 I310P11-I261 HydrophobicContact CB-CD1 3.91Å; P11-I261 HydrophobicContact CB-CG1 4.11Å; P11-I261 HydrophobicContact CG-CD1 3.91Å; P11-I261 HydrophobicContact CG-CG1 3.88Å; P11-I261 HydrophobicContact CG-CG2 4.26Å; L12-I261 HydrophobicContact CD2-CD1 3.46Å; L12-I261 VanDerWaalsContact CD2-CD1 3.46Å; L12-I261 HydrophobicContact CG-CD1 3.84Å; L12-I261 HydrophobicContact CG-CG2 4.33Å; N63-I261 HydrophobicContact CB-CG2 4.42Å; Y102-I261 HydrophobicContact CG-CD1 4.46Å; I261-S263 PolarHBondContact O-N 2.95Å; I261-I307 WeakPolarHBondContact O-CA 3.04Å; I261-H308 PolarHBondContact N-O 2.79Å; I261-H308 PolarHBondContact O-N 2.89Å; I261-I310 HydrophobicContact CD1-CD1 3.93Å; I261-I310 HydrophobicContact CG1-CD1 3.65Å
262L90.1Very high76.8Confident0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-77.9109.2177.4177.665.6000110.5L57 L60 N63 S64 V66 V264 P305 I307L57-L262 HydrophobicContact CD1-CD1 4.09Å; L57-L262 HydrophobicContact CD1-CD2 3.96Å; L60-L262 HydrophobicContact CB-CD2 3.52Å; L60-L262 HydrophobicContact CD1-CD2 3.97Å; L60-L262 HydrophobicContact CG-CD2 4.37Å; N63-L262 VanDerWaalsContact CA-O 3.31Å; N63-L262 WeakPolarHBondContact CA-O 3.49Å; N63-L262 PolarHBondContact N-O 2.88Å; S64-L262 PolarHBondContact O-N 2.85Å; V66-L262 HydrophobicContact CG1-CB 3.93Å; V66-L262 HydrophobicContact CG1-CD2 4.24Å; V66-L262 HydrophobicContact CG2-CB 3.88Å; L262-V264 HydrophobicContact CD1-CG2 4.18Å; L262-V264 HydrophobicContact CD2-CG2 4.23Å; L262-V264 HydrophobicContact CG-CG2 3.9Å; L262-P305 HydrophobicContact CD1-CB 3.75Å; L262-I307 HydrophobicContact CD1-CG1 4.31Å
263S86Confident74.4Confident7 Ų735.1 Ų35.15%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-89.2123.1173.1175.30000110.5D104 I261 R306D104-S263 WeakPolarHBondContact OD2-CB 3.29Å; D104-S263 PolarHBondContact OD2-OG 3.45Å; I261-S263 PolarHBondContact O-N 2.95Å; S263-R306 PolarHBondContact N-O 3.44Å; S263-R306 PolarHBondContact O-N 2.67Å
264V77.9Confident71.9Confident44 Ų4438.5 Ų38.527%0.26722%0.215SC..  trans-138.575.4175.1-173.50000107.8L57 P62 L262 A301L57-V264 HydrophobicContact CD1-CG2 4.31Å; P62-V264 HydrophobicContact CB-CB 4.26Å; P62-V264 HydrophobicContact CG-CB 4.27Å; L262-V264 HydrophobicContact CD1-CG2 4.18Å; L262-V264 HydrophobicContact CD2-CG2 4.23Å; L262-V264 HydrophobicContact CG-CG2 3.9Å; V264-A301 HydrophobicContact CG1-CB 4.11Å
265D68.9Low69.6Low47 Ų4746.2 Ų46.225%0.25125%0.25SS..  trans-95.1123177.5-160.4-47.8000111V105 V267 L268V105-D265 HydrophobicContact CG2-CB 4.46Å; D265-V267 VanDerWaalsContact C-N 3.28Å; D265-V267 PolarHBondContact O-N 2.81Å; D265-V267 VanDerWaalsContact OD1-CB 3.31Å; D265-V267 WeakPolarHBondContact OD1-CB 3.16Å; D265-V267 WeakPolarHBondContact OD1-CG2 3.29Å; D265-V267 PolarHBondContact OD1-N 2.9Å; D265-L268 HydrophobicContact CB-CD1 4.16Å; D265-L268 HydrophobicContact CB-CG 4.23Å
266P60.4Low67Low82 Ų8256.3 Ų56.353%0.53229%0.288SS..SBendtrans-62.7-27.9174.6-22.234.1000114.6L268 S269P266-L268 PolarHBondContact O-N 3.21Å; P266-S269 WeakPolarHBondContact O-CB 3.27Å; P266-S269 PolarHBondContact O-N 2.62Å; P266-S269 PolarHBondContact O-OG 3.12Å
267V60.6Low64.4Low63 Ų6362.1 Ų62.138%0.38232%0.319SS..Hα-helixtrans-60.7-36.6-176.71790000111.2D265 S269 I270 L271D265-V267 VanDerWaalsContact C-N 3.28Å; D265-V267 PolarHBondContact O-N 2.81Å; D265-V267 VanDerWaalsContact OD1-CB 3.31Å; D265-V267 WeakPolarHBondContact OD1-CB 3.16Å; D265-V267 WeakPolarHBondContact OD1-CG2 3.29Å; D265-V267 PolarHBondContact OD1-N 2.9Å; V267-S269 PolarHBondContact O-N 2.8Å; V267-S269 VanDerWaalsContact O-N 3.09Å; V267-I270 PolarHBondContact O-N 3.03Å; V267-L271 PolarHBondContact O-N 3Å
268L58.4Low61.8Low21 Ų2161.8 Ų61.811%0.1132%0.321CS..Hα-helixtrans-62-16.7174.8-58.8175.3000113.6D104 V105 D265 P266 L271D104-L268 HydrophobicContact CB-CD1 3.84Å; V105-L268 HydrophobicContact CG2-CD2 4.07Å; V105-L268 HydrophobicContact CG2-CG 4.35Å; D265-L268 HydrophobicContact CB-CD1 4.16Å; D265-L268 HydrophobicContact CB-CG 4.23Å; P266-L268 PolarHBondContact O-N 3.21Å; L268-L271 HydrophobicContact CD2-CD1 4.48Å
269S51.8Low59.2Low49 Ų4966.1 Ų66.134%0.34335%0.351SS..Hα-helixtrans-92.1-16.6173.870.30000114P266 V267P266-S269 WeakPolarHBondContact O-CB 3.27Å; P266-S269 PolarHBondContact O-N 2.62Å; P266-S269 PolarHBondContact O-OG 3.12Å; V267-S269 PolarHBondContact O-N 2.8Å; V267-S269 VanDerWaalsContact O-N 3.09Å
270I48.6Very low56.7Low93 Ų9369.4 Ų69.448%0.47738%0.382SS..Hα-helixtrans-84.5-35.1-179.9-60.2172.4000110.4V267 N272 N273V267-I270 PolarHBondContact O-N 3.03Å; I270-N272 PolarHBondContact O-N 3.02Å; I270-N273 PolarHBondContact O-N 3.13Å
271L46.6Very low54.4Low46 Ų4676.2 Ų76.224%0.24142%0.418CS..THydrogen-bonded Turntrans-56-18.2172.9-65.3172.3000114.1V267 L268 A278V267-L271 PolarHBondContact O-N 3Å; L268-L271 HydrophobicContact CD2-CD1 4.48Å; L271-A278 HydrophobicContact CD2-CB 3.77Å
272N41.6Very low52Low49 Ų4979.7 Ų79.726%0.26244%0.435SS..THydrogen-bonded Turntrans-83.6-8.7175.7-79.6-19.1000114.7I270 S298I270-N272 PolarHBondContact O-N 3.02Å; N272-S298 PolarHBondContact ND2-O 3.45Å
273N40.8Very low49.5Very low133 Ų13385.5 Ų85.571%0.71147%0.467SS*.THydrogen-bonded Turntrans-118-29.1-173.3-73.3-30.1000114.8I270I270-N273 PolarHBondContact O-N 3.13Å
274D38.8Very low47.1Very low92 Ų9290.6 Ų90.649%0.49250%0.499SS..  trans-118.493.4-174.2-75.3-60.1000112.2R276 D277D274-R276 PolarHBondContact O-N 2.97Å; D274-D277 PolarHBondContact O-N 3.34Å
275E44.2Very low45.4Very low186 Ų18696.7 Ų96.787%0.86953%0.527SS*.THydrogen-bonded Turntrans-58.7-5.2177.4-66.2-171.215700114.9
276R39.4Very low44.2Very low222 Ų22299.3 Ų99.384%0.83854%0.538SS*.THydrogen-bonded Turntrans-102.8-24.8-174-77.5-171.7-75.7-167.2-4.4115.8D274D274-R276 PolarHBondContact O-N 2.97Å
277D37.9Very low43.5Very low124 Ų124101.2 Ų101.266%0.66355%0.552SS**THydrogen-bonded Turntrans-103.3-18-179-71.1-18.6000113D274 S279 A280D274-D277 PolarHBondContact O-N 3.34Å; D277-S279 PolarHBondContact O-N 3.35Å; D277-A280 PolarHBondContact O-N 2.98Å
278A37.8Very low43Very low23 Ų23103.9 Ų103.919%0.1957%0.568CS.*G310 helixtrans-59.8-32.7174.900000113L271 A280 L281 L282L271-A278 HydrophobicContact CD2-CB 3.77Å; A278-A280 PolarHBondContact O-N 3.39Å; A278-L281 PolarHBondContact O-N 3.32Å; A278-L282 PolarHBondContact O-N 2.95Å
279S37.8Very low43.2Very low92 Ų92106.4 Ų106.464%0.64358%0.582SS**G310 helixtrans-64.9-7.9-179.7-47.40000115.2D277D277-S279 PolarHBondContact O-N 3.35Å
280A40Very low44.1Very low84 Ų84106.9 Ų106.969%0.69458%0.583SS**G310 helixtrans-101.5-11.3-178.400000114.1D277 A278D277-A280 PolarHBondContact O-N 2.98Å; A278-A280 PolarHBondContact O-N 3.39Å
281L43.4Very low45.2Very low144 Ų144106 Ų10675%0.75459%0.589SS**THydrogen-bonded Turntrans-127.6-7.7-174.2-66.3177.2000114.5A278A278-L281 PolarHBondContact O-N 3.32Å
282L40.4Very low46.4Very low72 Ų72108.2 Ų108.238%0.37760%0.598SS.*SBendtrans-114.5152.6172.8-64.3175.3000110.1A278A278-L282 PolarHBondContact O-N 2.95Å
283D38.6Very low48.1Very low123 Ų123107.2 Ų107.266%0.65859%0.592SS**  trans-68.5132-176.1-140.8-22.1000109.4M285 E286D283-M285 PolarHBondContact O-N 3.27Å; D283-E286 PolarHBondContact O-N 3.18Å; D283-E286 VanDerWaalsContact O-N 3.12Å
284P34.6Very low49.6Very low113 Ų113103.6 Ų103.673%0.73457%0.571SS**THydrogen-bonded Turntrans-61.22.2-174.5-27.136.3000116.6
285M41.9Very low51.3Low173 Ų173105.6 Ų105.685%0.85257%0.572SS**THydrogen-bonded Turntrans-97.8-9.4179.2-145.6163.477.700113.8D283 C287D283-M285 PolarHBondContact O-N 3.27Å; M285-C287 VanDerWaalsContact C-N 3.32Å
286E45.3Very low52.7Low102 Ų10298.1 Ų98.148%0.47754%0.539SS..  trans-85.32174.7-64.9-176.1155.400113.3D283 T288D283-E286 PolarHBondContact O-N 3.18Å; D283-E286 VanDerWaalsContact O-N 3.12Å; E286-T288 PolarHBondContact O-N 3.22Å
287C44.9Very low54.4Low121 Ų12189.2 Ų89.282%0.81851%0.507SS*.THydrogen-bonded Turntrans-82.938.5-173.8-155.80000113.9M285M285-C287 VanDerWaalsContact C-N 3.32Å
288T50.9Low56.1Low119 Ų11984.8 Ų84.873%0.7349%0.485SS*.THydrogen-bonded Turntrans-110.9-18.1176.7450000114.3E286E286-T288 PolarHBondContact O-N 3.22Å
289D61.5Low58.1Low75 Ų7584.1 Ų84.140%0.40148%0.479SS..SBendtrans-76146.4-166.1-59.75.8000111.1E293D289-E293 HydrophobicContact CB-CG 4.23Å
290T70.4Confident60Low59 Ų5981.2 Ų81.236%0.36246%0.458SS..  trans-72.8154.5-178.184.30000111.2E292 E293 Q294 T439T290-E292 PolarHBondContact O-N 3.26Å; T290-E292 PolarHBondContact OG1-N 3.45Å; T290-E292 VanDerWaalsContact OG1-N 3.17Å; T290-E293 PolarHBondContact N-OE2 3.32Å; T290-E293 WeakPolarHBondContact O-CB 3.43Å; T290-E293 PolarHBondContact O-N 2.98Å; T290-E293 VanDerWaalsContact O-N 3.13Å; T290-E293 WeakPolarHBondContact OG1-CB 3.4Å; T290-E293 PolarHBondContact OG1-N 3.38Å; T290-Q294 PolarHBondContact O-N 3.48Å; T290-T439 PolarHBondContact OG1-O 2.87Å
291A72.3Confident61.8Low74 Ų7477.5 Ų77.561%0.61243%0.427SS*.THydrogen-bonded Turntrans-63.6-7.717200000113.5R295A291-R295 PolarHBondContact O-NE 3.45Å; A291-R295 PolarHBondContact O-NH2 2.89Å
292E71.8Confident63.3Low92 Ų9275.1 Ų75.143%0.4342%0.422SS..THydrogen-bonded Turntrans-89.6-45.1170.8-62.7-172156.200111.1T290 R295 V296 T439 A440T290-E292 PolarHBondContact O-N 3.26Å; T290-E292 PolarHBondContact OG1-N 3.45Å; T290-E292 VanDerWaalsContact OG1-N 3.17Å; E292-R295 PolarHBondContact O-N 3.35Å; E292-V296 PolarHBondContact O-N 2.72Å; E292-T439 WeakPolarHBondContact OE2-CB 3.41Å; E292-T439 PolarHBondContact OE2-OG1 3.11Å; E292-A440 HydrophobicContact CB-CB 4.22Å
293E76.8Confident65.2Low28 Ų2875.2 Ų75.213%0.13142%0.423CS..Hα-helixtrans-56-52.6173.2-174.9165.3-151.500111D289 T290 R295 V296 H297 N441D289-E293 HydrophobicContact CB-CG 4.23Å; T290-E293 PolarHBondContact N-OE2 3.32Å; T290-E293 WeakPolarHBondContact O-CB 3.43Å; T290-E293 PolarHBondContact O-N 2.98Å; T290-E293 VanDerWaalsContact O-N 3.13Å; T290-E293 WeakPolarHBondContact OG1-CB 3.4Å; T290-E293 PolarHBondContact OG1-N 3.38Å; E293-R295 PolarHBondContact O-N 2.82Å; E293-R295 VanDerWaalsContact O-N 3.17Å; E293-V296 WeakPolarHBondContact O-CA 3.47Å; E293-V296 PolarHBondContact O-N 3.4Å; E293-H297 VanDerWaalsContact CG-CD2 3.47Å; E293-H297 WeakPolarHBondContact CG-CD2 3.46Å; E293-H297 PolarHBondContact O-CD2 3.03Å; E293-H297 VanDerWaalsContact O-CD2 3.23Å; E293-H297 PolarHBondContact O-N 3.02Å; E293-N441 HydrophobicContact CG-CB 3.93Å; E293-N441 WeakPolarHBondContact OE1-CB 3.44Å; E293-N441 PolarHBondContact OE1-ND2 3.26Å
294Q73.6Confident67.4Low57 Ų5769.6 Ų69.627%0.26639%0.393SS..Hα-helixtrans-60.1-32.7179.1-172.464.5-16.500112.9T290 V296 S298T290-Q294 PolarHBondContact O-N 3.48Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 3.38Å; Q294-S298 VanDerWaalsContact O-CA 3.3Å; Q294-S298 WeakPolarHBondContact O-CA 3.5Å; Q294-S298 VanDerWaalsContact O-CB 3.26Å; Q294-S298 WeakPolarHBondContact O-CB 3.44Å; Q294-S298 PolarHBondContact O-N 3.49Å
295R73.8Confident69.9Low134 Ų13464.3 Ų64.351%0.50636%0.359SS..Hα-helixtrans-70.5-21.2175.1-87.6-177.7-75.1157.80.9113.6A291 E292 E293A291-R295 PolarHBondContact O-NE 3.45Å; A291-R295 PolarHBondContact O-NH2 2.89Å; E292-R295 PolarHBondContact O-N 3.35Å; E293-R295 PolarHBondContact O-N 2.82Å; E293-R295 VanDerWaalsContact O-N 3.17Å
296V73.8Confident72.2Confident29 Ų2956.3 Ų56.318%0.17632%0.319CS..Hα-helixtrans-97.4-37.1-178.5171.90000112.5F76 E292 E293 Q294 P299 A440 R442F76-V296 HydrophobicContact CZ-CG1 4.15Å; E292-V296 PolarHBondContact O-N 2.72Å; E293-V296 WeakPolarHBondContact O-CA 3.47Å; E293-V296 PolarHBondContact O-N 3.4Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 3.38Å; V296-P299 WeakPolarHBondContact O-CD 3.42Å; V296-A440 HydrophobicContact CG2-CB 4.16Å; V296-R442 HydrophobicContact CG1-CB 4.03Å
297H75.3Confident74.5Confident36 Ų3651.6 Ų51.617%0.16730%0.297CS..Hα-helixtrans-80.6-32.4173.2-64.5-77.9000112.3F76 L240 E293 P299 N441F76-H297 WeakPolarHBondContact CB-CE1 3.19Å; F76-H297 WeakPolarHBondContact CB-NE2 3.38Å; F76-H297 AromaticContact CD1-CE1 3.73Å; F76-H297 AromaticContact CD1-ND1 3.94Å; F76-H297 AromaticContact CD1-NE2 2.81Å; F76-H297 WeakPolarHBondContact CD1-NE2 3.49Å; F76-H297 AromaticContact CD2-CE1 2.48Å; F76-H297 WeakPolarHBondContact CD2-CE1 3.46Å; F76-H297 AromaticContact CD2-ND1 3.2Å; F76-H297 WeakPolarHBondContact CD2-ND1 3.36Å; F76-H297 AromaticContact CD2-NE2 3.52Å; F76-H297 AromaticContact CE1-NE2 3.39Å; F76-H297 WeakPolarHBondContact CE1-NE2 3.47Å; F76-H297 AromaticContact CE2-CE1 3.01Å; F76-H297 WeakPolarHBondContact CE2-CE1 3.24Å; F76-H297 AromaticContact CE2-ND1 3.46Å; F76-H297 WeakPolarHBondContact CE2-ND1 3.08Å; F76-H297 AromaticContact CE2-NE2 3.98Å; F76-H297 AromaticContact CG-CE1 2.92Å; F76-H297 WeakPolarHBondContact CG-CE1 3.35Å; F76-H297 AromaticContact CG-ND1 3.46Å; F76-H297 WeakPolarHBondContact CG-ND1 3.46Å; F76-H297 AromaticContact CG-NE2 2.89Å; F76-H297 WeakPolarHBondContact CG-NE2 3.42Å; F76-H297 AromaticContact CZ-CE1 3.8Å; F76-H297 AromaticContact CZ-ND1 3.95Å; F76-H297 AromaticContact CZ-NE2 3.93Å; L240-H297 WeakPolarHBondContact CD1-O 3.46Å; E293-H297 VanDerWaalsContact CG-CD2 3.47Å; E293-H297 WeakPolarHBondContact CG-CD2 3.46Å; E293-H297 PolarHBondContact O-CD2 3.03Å; E293-H297 VanDerWaalsContact O-CD2 3.23Å; E293-H297 PolarHBondContact O-N 3.02Å; H297-P299 WeakPolarHBondContact O-CD 3.45Å; H297-N441 PolarHBondContact NE2-O 2.96Å
298S74.2Confident76.8Confident30 Ų3045.8 Ų45.821%0.2126%0.258CS..SBendtrans-113.956.9175.7-68.60000114.3N272 Q294N272-S298 PolarHBondContact ND2-O 3.45Å; Q294-S298 VanDerWaalsContact O-CA 3.3Å; Q294-S298 WeakPolarHBondContact O-CA 3.5Å; Q294-S298 VanDerWaalsContact O-CB 3.26Å; Q294-S298 WeakPolarHBondContact O-CB 3.44Å; Q294-S298 PolarHBondContact O-N 3.49Å
299P79.5Confident78.8Confident10 Ų1040.7 Ų40.77%0.06523%0.227CC..  trans-68.5153.217530.8-35.6000111L240 V296 H297 A301 V304 R306L240-P299 HydrophobicContact CD1-CG 3.87Å; V296-P299 WeakPolarHBondContact O-CD 3.42Å; H297-P299 WeakPolarHBondContact O-CD 3.45Å; P299-A301 PolarHBondContact O-N 3.03Å; P299-V304 HydrophobicContact CB-CB 4.04Å; P299-V304 HydrophobicContact CB-CG2 4.09Å; P299-V304 HydrophobicContact CG-CB 3.67Å; P299-V304 HydrophobicContact CG-CG1 4.02Å; P299-V304 HydrophobicContact CG-CG2 4.1Å; P299-R306 PolarHBondContact O-NH1 2.73Å; P299-R306 PolarHBondContact O-NH2 3.35Å
300P77.1Confident80.2Confident30 Ų3037.6 Ų37.620%0.19521%0.21CC..  trans-56.5130.5173.5-24.634.1000111.4S302 L303 V304P300-S302 PolarHBondContact O-N 3.36Å; P300-L303 HydrophobicContact CG-CD1 4.41Å; P300-L303 PolarHBondContact O-N 3.23Å; P300-V304 PolarHBondContact O-N 2.75Å; P300-V304 VanDerWaalsContact O-N 3.08Å
301A77.3Confident81.1Confident6 Ų636.3 Ų36.35%0.0520%0.201CC..THydrogen-bonded Turntrans-60.8-15.5-178.500000113.9L57 V264 P299L57-A301 VanDerWaalsContact CD2-O 3.26Å; L57-A301 WeakPolarHBondContact CD2-O 3.14Å; V264-A301 HydrophobicContact CG1-CB 4.11Å; P299-A301 PolarHBondContact O-N 3.03Å
302S75.6Confident82Confident94 Ų9434.5 Ų34.566%0.65719%0.186SC*.THydrogen-bonded Turntrans-75-21.7172.653.10000114.5P300P300-S302 PolarHBondContact O-N 3.36Å
303L80Confident82.8Confident74 Ų7433 Ų3339%0.38718%0.179SC..THydrogen-bonded Turntrans-101.4-46.5176.5-66.7174.8000111.1F225 P300F225-L303 HydrophobicContact CB-CD1 4.32Å; F225-L303 HydrophobicContact CD1-CD1 4.19Å; F225-L303 HydrophobicContact CD2-CD1 3.72Å; F225-L303 HydrophobicContact CE1-CD1 4.44Å; F225-L303 HydrophobicContact CE2-CD1 4Å; F225-L303 HydrophobicContact CG-CD1 3.83Å; F225-L303 HydrophobicContact CZ-CD1 4.35Å; P300-L303 HydrophobicContact CG-CD1 4.41Å; P300-L303 PolarHBondContact O-N 3.23Å
304V84.8Confident83.5Confident5 Ų536.3 Ų36.33%0.0319%0.193CC..SBendtrans-129.793.7-178.5-176.20000108.3Y130 L227 A238 L240 P299 P300Y130-V304 HydrophobicContact CE2-CG1 4.27Å; L227-V304 HydrophobicContact CD2-CG2 3.93Å; A238-V304 HydrophobicContact CB-CG2 4.34Å; L240-V304 HydrophobicContact CD1-CG1 4.46Å; L240-V304 HydrophobicContact CG-CG1 3.93Å; P299-V304 HydrophobicContact CB-CB 4.04Å; P299-V304 HydrophobicContact CB-CG2 4.09Å; P299-V304 HydrophobicContact CG-CB 3.67Å; P299-V304 HydrophobicContact CG-CG1 4.02Å; P299-V304 HydrophobicContact CG-CG2 4.1Å; P300-V304 PolarHBondContact O-N 2.75Å; P300-V304 VanDerWaalsContact O-N 3.08Å
305P88.3Confident84.2Confident3 Ų334.1 Ų34.12%0.01918%0.183CC..  trans-63.3159175.125-35.7000112.2L52 L57 A238 C239 L240 L262L52-P305 HydrophobicContact CD1-CG 4.29Å; L52-P305 HydrophobicContact CD2-CG 3.98Å; L57-P305 HydrophobicContact CD1-CB 3.9Å; L57-P305 HydrophobicContact CD1-CG 4.16Å; L57-P305 HydrophobicContact CD2-CB 4.16Å; L57-P305 HydrophobicContact CD2-CG 4.23Å; A238-P305 WeakPolarHBondContact O-CD 3.35Å; C239-P305 WeakPolarHBondContact CA-O 3.41Å; C239-P305 HydrophobicContact CB-CG 4.43Å; C239-P305 PolarHBondContact SG-O 2.85Å; L240-P305 PolarHBondContact N-O 3.48Å; L262-P305 HydrophobicContact CD1-CB 3.75Å
306R90.4Very high84.8Confident5 Ų530.9 Ų30.92%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-106.2133.8174.6-71.9168.3-174.378.63.5109.7D104 L240 S263 P299D104-R306 WeakPolarHBondContact OD2-CD 3.27Å; L240-R306 HydrophobicContact CB-CG 3.94Å; L240-R306 HydrophobicContact CD1-CG 4.21Å; L240-R306 CarbonylContact O-C 3.38Å; L240-R306 VanDerWaalsContact O-CA 3.32Å; L240-R306 WeakPolarHBondContact O-CA 3.42Å; S263-R306 PolarHBondContact N-O 3.44Å; S263-R306 PolarHBondContact O-N 2.67Å; P299-R306 PolarHBondContact O-NH1 2.73Å; P299-R306 PolarHBondContact O-NH2 3.35Å
307I93.3Very high85.6Confident2 Ų230 Ų301%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-118122171.8-70.2174.3000109.1L52 V66 F68 L240 K242 I261 L262L52-I307 HydrophobicContact CD2-CD1 3.94Å; V66-I307 HydrophobicContact CG2-CD1 3.81Å; V66-I307 HydrophobicContact CG2-CG1 4.07Å; F68-I307 HydrophobicContact CB-CD1 3.8Å; F68-I307 HydrophobicContact CD1-CD1 4.18Å; F68-I307 HydrophobicContact CG-CD1 4.24Å; L240-I307 PolarHBondContact O-N 3.34Å; K242-I307 PolarHBondContact N-O 2.88Å; I261-I307 WeakPolarHBondContact O-CA 3.04Å; L262-I307 HydrophobicContact CD1-CG1 4.31Å
308H92.8Very high86.3Confident0 Ų028.7 Ų28.70%016%0.162CC..EExtended strand (participates in β ladder)trans-87.1112.5168.6-63.7-70.6000109.8Y102 R103 D104 Y244 G260 I261Y102-H308 HydrophobicContact CD1-CB 4.12Å; Y102-H308 PolarHBondContact O-CD2 2.88Å; R103-H308 WeakPolarHBondContact CA-NE2 3.1Å; R103-H308 PolarHBondContact O-CE1 3.09Å; D104-H308 PolarHBondContact N-NE2 3.41Å; D104-H308 IonicContact OD1-CE1 2.71Å; D104-H308 PolarHBondContact OD1-CE1 2.73Å; D104-H308 IonicContact OD1-NE2 3.88Å; D104-H308 IonicContact OD2-CE1 3.48Å; D104-H308 IonicContact OD2-NE2 2.74Å; D104-H308 PolarHBondContact OD2-NE2 3.27Å; Y244-H308 HydrophobicContact CE2-CB 4.1Å; Y244-H308 AromaticContact CE2-ND1 3.99Å; Y244-H308 AromaticContact CZ-ND1 3.85Å; Y244-H308 PolarHBondContact OH-ND1 2.93Å; G260-H308 CarbonylContact C-O 3.52Å; G260-H308 WeakPolarHBondContact CA-O 3.48Å; I261-H308 PolarHBondContact N-O 2.79Å; I261-H308 PolarHBondContact O-N 2.89Å
309V92.7Very high87.1Confident11 Ų1127.3 Ų27.37%0.06715%0.152CC..EExtended strand (participates in β ladder)trans-75.7127.3-172.6178.50000111.1Y102 V241 K242 V243 L258 A312Y102-V309 WeakPolarHBondContact CE1-O 3.44Å; V241-V309 HydrophobicContact CG1-CG2 3.34Å; K242-V309 PolarHBondContact O-N 2.82Å; V243-V309 HydrophobicContact CG2-CB 4.21Å; V243-V309 HydrophobicContact CG2-CG2 3.94Å; L258-V309 HydrophobicContact CD2-CG1 4.31Å; L258-V309 HydrophobicContact CD2-CG2 4.09Å; V309-A312 HydrophobicContact CG1-CB 3.89Å
310I90.4Very high87.4Confident10 Ų1028.6 Ų28.65%0.05116%0.161CC..EExtended strand (participates in β ladder)trans-100.2-37.5167.8-63164.8000110V32 F36 F65 Y102 Y259 I261V32-I310 HydrophobicContact CG1-CG2 4.38Å; F36-I310 HydrophobicContact CB-CG2 4.16Å; F36-I310 HydrophobicContact CD2-CD1 4.22Å; F36-I310 HydrophobicContact CD2-CG2 3.83Å; F36-I310 HydrophobicContact CE2-CD1 3.99Å; F36-I310 HydrophobicContact CG-CG2 4.17Å; F36-I310 HydrophobicContact CZ-CD1 4.27Å; F65-I310 HydrophobicContact CD2-CD1 4.12Å; F65-I310 HydrophobicContact CE2-CD1 3.81Å; Y102-I310 HydrophobicContact CD1-CG1 3.87Å; Y102-I310 HydrophobicContact CE1-CB 4.45Å; Y102-I310 HydrophobicContact CE1-CG1 3.63Å; Y102-I310 HydrophobicContact CG-CG1 4.46Å; Y259-I310 PolarHBondContact O-N 3.16Å; I261-I310 HydrophobicContact CD1-CD1 3.93Å; I261-I310 HydrophobicContact CG1-CD1 3.65Å
311L90.2Very high87.8Confident32 Ų3229.6 Ų29.617%0.16816%0.164CC..EExtended strand (participates in β ladder)trans-138.1128176.4-68.7165000110I33 F36 K37 L40 Y259I33-L311 HydrophobicContact CG2-CD2 3.76Å; F36-L311 HydrophobicContact CB-CD1 4.04Å; K37-L311 HydrophobicContact CB-CD1 4.1Å; K37-L311 HydrophobicContact CB-CD2 4.25Å; L40-L311 HydrophobicContact CD1-CD1 3.65Å; Y259-L311 PolarHBondContact N-O 3.27Å; Y259-L311 PolarHBondContact O-N 3.07Å
312A90.8Very high88.2Confident37 Ų3729.9 Ų29.931%0.30616%0.164SC..EExtended strand (participates in β ladder)trans-117.3136.4170.200000110.2F250 L258 V309F250-A312 HydrophobicContact CE1-CB 4.2Å; F250-A312 HydrophobicContact CE2-CB 4.02Å; F250-A312 HydrophobicContact CZ-CB 3.46Å; F250-A312 VanDerWaalsContact CZ-CB 3.46Å; L258-A312 HydrophobicContact CD2-CB 3.57Å; V309-A312 HydrophobicContact CG1-CB 3.89Å
313Q88.5Confident88.4Confident60 Ų6027.3 Ų27.328%0.2815%0.145SC..EExtended strand (participates in β ladder)trans-125.3117.6172.7177.7169.7-5000109.9L256 E257 L315 C325L256-Q313 WeakPolarHBondContact CA-O 3.45Å; E257-Q313 PolarHBondContact N-O 3.2Å; E257-Q313 PolarHBondContact O-N 3.07Å; Q313-L315 PolarHBondContact O-N 3.42Å; Q313-C325 PolarHBondContact NE2-SG 3.28Å
314K90.7Very high88Confident97 Ų9725.3 Ų25.342%0.42214%0.14SC..EExtended strand (participates in β ladder)trans-66.7124.8169.5-174.3166.3179.51590110.3D254 L256D254-K314 WeakPolarHBondContact OD1-CE 3.16Å; D254-K314 IonicContact OD1-NZ 2.75Å; D254-K314 PolarHBondContact OD1-NZ 2.96Å; D254-K314 WeakPolarHBondContact OD2-CE 3.37Å; D254-K314 IonicContact OD2-NZ 3.98Å; D254-K314 PolarHBondContact OD2-NZ 2.8Å; L256-K314 HydrophobicContact CD2-CB 4Å; L256-K314 HydrophobicContact CD2-CG 4.29Å
315L89.1Confident87.2Confident12 Ų1226 Ų266%0.06315%0.145CC..  trans-90.6133180-64.7-175.2000110.7R69 I255 E257 Q313 I318 A324R69-L315 HydrophobicContact CG-CD1 4.11Å; I255-L315 HydrophobicContact CB-CB 4.33Å; I255-L315 HydrophobicContact CG2-CB 4.25Å; I255-L315 HydrophobicContact CG2-CD1 4.07Å; I255-L315 PolarHBondContact O-N 3.36Å; E257-L315 HydrophobicContact CB-CD1 4.13Å; E257-L315 HydrophobicContact CB-CD2 3.98Å; E257-L315 HydrophobicContact CB-CG 4.1Å; Q313-L315 PolarHBondContact O-N 3.42Å; L315-I318 HydrophobicContact CD1-CG2 4.41Å; L315-A324 HydrophobicContact CD2-CB 3.82Å
316Q86.8Confident86.3Confident65 Ų6526.8 Ų26.830%0.30415%0.148SC..SBendtrans-77.9-30.2170.5-69.1179.7-43.100111.7L326 F560Q316-L326 VanDerWaalsContact OE1-N 3.16Å; Q316-F560 HydrophobicContact CB-CE1 3.92Å; Q316-F560 HydrophobicContact CB-CZ 4.26Å; Q316-F560 WeakPolarHBondContact O-CZ 3.35Å
317H89.7Confident84.8Confident12 Ų1231.5 Ų31.56%0.05617%0.174CC..  trans-152.2163176.862.654.4000111.3N319 L322 P323 T556 F560H317-N319 PolarHBondContact ND1-N 2.87Å; H317-L322 WeakPolarHBondContact CE1-CB 3.46Å; H317-L322 WeakPolarHBondContact NE2-CB 3.36Å; H317-P323 PolarHBondContact CE1-O 3.15Å; H317-P323 VanDerWaalsContact CE1-O 3.22Å; H317-P323 PolarHBondContact NE2-O 3.11Å; H317-T556 HydrophobicContact CB-CG2 4.02Å; H317-F560 HydrophobicContact CB-CE2 4.09Å; H317-F560 HydrophobicContact CB-CZ 4.03Å; H317-F560 AromaticContact CD2-CE2 3.79Å
318I89.5Confident83Confident7 Ų735.8 Ų35.84%0.03619%0.193CC..  trans-105.214.6175.355148.1000113.8V134 E137 V141 I255 L315 P320 P415 A416V134-I318 HydrophobicContact CG1-CD1 4.2Å; V134-I318 HydrophobicContact CG1-CG2 4.3Å; V134-I318 HydrophobicContact CG2-CG2 4.35Å; E137-I318 HydrophobicContact CB-CD1 4.41Å; E137-I318 HydrophobicContact CG-CD1 4.05Å; V141-I318 WeakPolarHBondContact CG1-O 3.44Å; I255-I318 HydrophobicContact CD1-CG2 3.85Å; I255-I318 HydrophobicContact CG2-CG2 3.76Å; L315-I318 HydrophobicContact CD1-CG2 4.41Å; I318-P320 VanDerWaalsContact O-CD 3.23Å; I318-P320 WeakPolarHBondContact O-CD 3.26Å; I318-P415 HydrophobicContact CD1-CB 4Å; I318-P415 WeakPolarHBondContact CD1-O 3.42Å; I318-P415 HydrophobicContact CG1-CB 3.95Å; I318-P415 HydrophobicContact CG1-CG 4.27Å; I318-A416 HydrophobicContact CD1-CB 4.01Å
319N90.9Very high80.9Confident1 Ų144.9 Ų44.91%0.00524%0.235CC..  trans-76114.1176.9-176.5-14.4000110.6H317 L321 L322 R552 T556H317-N319 PolarHBondContact ND1-N 2.87Å; N319-L321 PolarHBondContact O-N 3.19Å; N319-L321 VanDerWaalsContact OD1-CB 3.29Å; N319-L321 WeakPolarHBondContact OD1-CB 3.35Å; N319-L321 PolarHBondContact OD1-N 3.11Å; N319-L322 PolarHBondContact O-N 3.49Å; N319-R552 PolarHBondContact ND2-O 3.39Å; N319-R552 VanDerWaalsContact ND2-O 3.16Å; N319-T556 HydrophobicContact CB-CG2 3.93Å; N319-T556 PolarHBondContact ND2-OG1 3.43Å
320P86.6Confident79.2Confident38 Ų3849.7 Ų49.725%0.24726%0.257CS..THydrogen-bonded Turntrans-74.4-10-176.628.9-32.8000113.9W140 V141 A144 Y145 I318 L322W140-P320 HydrophobicContact CZ3-CG 4.08Å; V141-P320 HydrophobicContact CG1-CG 4.46Å; A144-P320 HydrophobicContact CB-CB 4.18Å; A144-P320 HydrophobicContact CB-CG 3.49Å; A144-P320 VanDerWaalsContact CB-CG 3.49Å; Y145-P320 HydrophobicContact CD1-CB 4.37Å; Y145-P320 HydrophobicContact CD2-CB 4.06Å; Y145-P320 HydrophobicContact CD2-CG 4.23Å; Y145-P320 HydrophobicContact CE1-CB 4.13Å; Y145-P320 HydrophobicContact CE2-CB 3.79Å; Y145-P320 HydrophobicContact CE2-CG 4.09Å; Y145-P320 HydrophobicContact CG-CB 4.35Å; I318-P320 VanDerWaalsContact O-CD 3.23Å; I318-P320 WeakPolarHBondContact O-CD 3.26Å; P320-L322 VanDerWaalsContact C-N 3.27Å
321L86.3Confident77.7Confident50 Ų5052.6 Ų52.626%0.26228%0.278SS..THydrogen-bonded Turntrans-82.1-7.5175.5-54173.5000112.6W140 N319 N549 R552 I553W140-L321 HydrophobicContact CZ3-CD1 4.08Å; W140-L321 HydrophobicContact CZ3-CG 4.24Å; N319-L321 PolarHBondContact O-N 3.19Å; N319-L321 VanDerWaalsContact OD1-CB 3.29Å; N319-L321 WeakPolarHBondContact OD1-CB 3.35Å; N319-L321 PolarHBondContact OD1-N 3.11Å; L321-N549 HydrophobicContact CD1-CB 3.79Å; L321-R552 HydrophobicContact CD1-CB 3.9Å; L321-I553 HydrophobicContact CB-CD1 4.11Å; L321-I553 HydrophobicContact CB-CG1 3.73Å; L321-I553 HydrophobicContact CD1-CD1 4.46Å; L321-I553 HydrophobicContact CD1-CG1 4.15Å
322L84.5Confident76.4Confident12 Ų1259.6 Ų59.66%0.06331%0.307CS..SBendtrans-119.3149.7-178.9-77.5175.1000111.3H317 N319 P320 L326 F336 I553 T556H317-L322 WeakPolarHBondContact CE1-CB 3.46Å; H317-L322 WeakPolarHBondContact NE2-CB 3.36Å; N319-L322 PolarHBondContact O-N 3.49Å; P320-L322 VanDerWaalsContact C-N 3.27Å; L322-L326 HydrophobicContact CB-CD2 4.47Å; L322-L326 HydrophobicContact CD2-CD2 4.24Å; L322-F336 HydrophobicContact CD2-CD1 4.3Å; L322-F336 HydrophobicContact CD2-CE1 3.55Å; L322-F336 HydrophobicContact CD2-CZ 4.32Å; L322-I553 HydrophobicContact CD2-CG2 4.06Å; L322-T556 HydrophobicContact CD1-CG2 3.57Å
323P79.8Confident75.1Confident40 Ų4058 Ų5826%0.2629%0.294SS..  trans-60137.3170.7-23.536000111.8H317 C325 T333H317-P323 PolarHBondContact CE1-O 3.15Å; H317-P323 VanDerWaalsContact CE1-O 3.22Å; H317-P323 PolarHBondContact NE2-O 3.11Å; P323-C325 PolarHBondContact O-N 3.44Å; P323-T333 HydrophobicContact CB-CG2 4.1Å; P323-T333 HydrophobicContact CG-CG2 3.99Å
324A71.1Confident74.1Confident33 Ų3358.3 Ų58.327%0.27330%0.302SS..SBendtrans-59.1-15.6-173.500000116L315L315-A324 HydrophobicContact CD2-CB 3.82Å
325C69.2Low73.3Confident19 Ų1959.9 Ų59.913%0.12831%0.309CS..  trans-136.1123168-57.90000108.7Q313 P323 K328Q313-C325 PolarHBondContact NE2-SG 3.28Å; P323-C325 PolarHBondContact O-N 3.44Å; C325-K328 HydrophobicContact CB-CD 3.79Å; C325-K328 HydrophobicContact CB-CG 3.94Å; C325-K328 PolarHBondContact SG-NZ 3.41Å; C325-K328 VanDerWaalsContact SG-NZ 3.36Å
326L68.1Low72.8Confident19 Ų1963 Ų6310%0.09932%0.322CS..SBendtrans-84.7-22.5-179.3-62.8173.5000112.6Q316 L322 L557 F560Q316-L326 VanDerWaalsContact OE1-N 3.16Å; L322-L326 HydrophobicContact CB-CD2 4.47Å; L322-L326 HydrophobicContact CD2-CD2 4.24Å; L326-L557 HydrophobicContact CD1-CD1 4.23Å; L326-F560 HydrophobicContact CD1-CB 3.79Å; L326-F560 HydrophobicContact CD1-CD2 3.44Å; L326-F560 VanDerWaalsContact CD1-CD2 3.44Å; L326-F560 HydrophobicContact CD1-CE2 4.22Å; L326-F560 HydrophobicContact CD1-CG 3.72Å
327N59.3Low72.5Confident104 Ų10461.2 Ų61.256%0.55632%0.315SS*.SBendtrans-94.9-1.5-171.1-57.816.5000114.1
328K55.3Low72.1Confident92 Ų9264.2 Ų64.240%0.434%0.338SS..SBendtrans-80.6137.6176.2-71.1178.1-179.2162.80109.3C325 E330C325-K328 HydrophobicContact CB-CD 3.79Å; C325-K328 HydrophobicContact CB-CG 3.94Å; C325-K328 PolarHBondContact SG-NZ 3.41Å; C325-K328 VanDerWaalsContact SG-NZ 3.36Å; K328-E330 HydrophobicContact CB-CG 4.35Å; K328-E330 PolarHBondContact O-N 3.04Å
329E49.5Very low71.8Confident192 Ų19267.2 Ų67.290%0.89736%0.359SS*.  trans-68.432.1178.5-58.8-173.3157.500114.3S331E329-S331 PolarHBondContact O-N 3.36Å; E329-S331 VanDerWaalsContact O-N 3.14Å
330E57.1Low71.5Confident111 Ų11167.8 Ų67.852%0.51936%0.362SS..  trans-69.4111.4171.1-67.8-174.2-167.300108.8K328 K332 T333 C334K328-E330 HydrophobicContact CB-CG 4.35Å; K328-E330 PolarHBondContact O-N 3.04Å; E330-K332 PolarHBondContact O-N 2.87Å; E330-T333 PolarHBondContact O-N 3.45Å; E330-C334 PolarHBondContact O-N 2.85Å
331S58Low71.3Confident72 Ų7268.6 Ų68.650%0.50336%0.363SS..Hα-helixtrans-49.2-25.5-177-171.60000114.2E329 K335E329-S331 PolarHBondContact O-N 3.36Å; E329-S331 VanDerWaalsContact O-N 3.14Å; S331-K335 WeakPolarHBondContact O-CB 3.45Å; S331-K335 VanDerWaalsContact O-CD 3.23Å; S331-K335 WeakPolarHBondContact O-CD 3.4Å; S331-K335 WeakPolarHBondContact O-CG 3.33Å; S331-K335 PolarHBondContact O-N 3.37Å; S331-K335 WeakPolarHBondContact OG-CE 3.43Å; S331-K335 PolarHBondContact OG-NZ 3.22Å
332K62.7Low71.2Confident178 Ų17870.7 Ų70.777%0.77438%0.382SS*.Hα-helixtrans-72.2-44.9174.6-64.2179.8-177.1173.70112.7E330 K335 F336E330-K332 PolarHBondContact O-N 2.87Å; K332-K335 PolarHBondContact O-N 3.06Å; K332-F336 WeakPolarHBondContact O-CB 3.21Å; K332-F336 PolarHBondContact O-N 3.37Å
333T65.4Low71.2Confident3 Ų373.3 Ų73.32%0.01839%0.394CS..Hα-helixtrans-65.3-48.6179.9-59.80000110.9P323 E330 K335 F336 V337P323-T333 HydrophobicContact CB-CG2 4.1Å; P323-T333 HydrophobicContact CG-CG2 3.99Å; E330-T333 PolarHBondContact O-N 3.45Å; T333-K335 VanDerWaalsContact C-N 3.32Å; T333-K335 PolarHBondContact O-N 2.95Å; T333-F336 PolarHBondContact O-N 3.4Å; T333-V337 VanDerWaalsContact O-CG2 3.28Å; T333-V337 WeakPolarHBondContact O-CG2 3.29Å; T333-V337 PolarHBondContact O-N 3.15Å
334C66.4Low71.6Confident67 Ų6771.5 Ų71.545%0.45338%0.382SS..Hα-helixtrans-60.8-40.4177.1-52.90000111.9E330 S338E330-C334 PolarHBondContact O-N 2.85Å; C334-S338 WeakPolarHBondContact O-CB 3.5Å; C334-S338 PolarHBondContact O-N 2.92Å; C334-S338 PolarHBondContact O-OG 2.78Å
335K74.5Confident72.4Confident131 Ų13174.2 Ų74.257%0.5740%0.399SS*.Hα-helixtrans-63.3-47.4174.6-78.5170.1-175.3155.30112S331 K332 T333 V337 S338 S339S331-K335 WeakPolarHBondContact O-CB 3.45Å; S331-K335 VanDerWaalsContact O-CD 3.23Å; S331-K335 WeakPolarHBondContact O-CD 3.4Å; S331-K335 WeakPolarHBondContact O-CG 3.33Å; S331-K335 PolarHBondContact O-N 3.37Å; S331-K335 WeakPolarHBondContact OG-CE 3.43Å; S331-K335 PolarHBondContact OG-NZ 3.22Å; K332-K335 PolarHBondContact O-N 3.06Å; T333-K335 VanDerWaalsContact C-N 3.32Å; T333-K335 PolarHBondContact O-N 2.95Å; K335-V337 PolarHBondContact O-N 3.45Å; K335-S338 WeakPolarHBondContact CA-OG 3.34Å; K335-S338 PolarHBondContact O-N 2.87Å; K335-S338 PolarHBondContact O-OG 2.75Å; K335-S339 WeakPolarHBondContact O-CB 3.45Å; K335-S339 PolarHBondContact O-N 2.87Å
336F78.5Confident73.5Confident76 Ų7676.6 Ų76.633%0.33341%0.414SS..Hα-helixtrans-57-50.4177.3177.3-87.1000111.4L322 K332 T333 S339 F340 I553L322-F336 HydrophobicContact CD2-CD1 4.3Å; L322-F336 HydrophobicContact CD2-CE1 3.55Å; L322-F336 HydrophobicContact CD2-CZ 4.32Å; K332-F336 WeakPolarHBondContact O-CB 3.21Å; K332-F336 PolarHBondContact O-N 3.37Å; T333-F336 PolarHBondContact O-N 3.4Å; F336-S339 PolarHBondContact O-N 2.87Å; F336-F340 PolarHBondContact O-N 3.45Å; F336-I553 HydrophobicContact CE1-CG2 4.12Å; F336-I553 HydrophobicContact CZ-CD1 4.2Å; F336-I553 HydrophobicContact CZ-CG2 4.15Å
337V79.5Confident74.6Confident28 Ų2875.8 Ų75.817%0.1741%0.41CS..Hα-helixtrans-58.3-52177.5174.10000109.9T333 K335 S339 F340 M341 L557T333-V337 VanDerWaalsContact O-CG2 3.28Å; T333-V337 WeakPolarHBondContact O-CG2 3.29Å; T333-V337 PolarHBondContact O-N 3.15Å; K335-V337 PolarHBondContact O-N 3.45Å; V337-S339 VanDerWaalsContact C-N 3.3Å; V337-S339 PolarHBondContact O-N 3.05Å; V337-F340 PolarHBondContact O-N 2.75Å; V337-F340 VanDerWaalsContact O-N 3.1Å; V337-M341 HydrophobicContact CG1-CG 4.22Å; V337-M341 VanDerWaalsContact O-CG 3.27Å; V337-M341 WeakPolarHBondContact O-CG 3.26Å; V337-M341 PolarHBondContact O-N 3.04Å; V337-L557 HydrophobicContact CG1-CD1 4.18Å; V337-L557 HydrophobicContact CG1-CD2 4.45Å; V337-L557 HydrophobicContact CG2-CD1 3.99Å
338S80.9Confident76.3Confident76 Ų7671.8 Ų71.853%0.53139%0.387SS..Hα-helixtrans-59.9-36-179.469.40000113.8C334 K335C334-S338 WeakPolarHBondContact O-CB 3.5Å; C334-S338 PolarHBondContact O-N 2.92Å; C334-S338 PolarHBondContact O-OG 2.78Å; K335-S338 WeakPolarHBondContact CA-OG 3.34Å; K335-S338 PolarHBondContact O-N 2.87Å; K335-S338 PolarHBondContact O-OG 2.75Å
339S84.8Confident78.1Confident69 Ų6970.4 Ų70.448%0.48339%0.393SS..Hα-helixtrans-66.2-47.5174.3-165.90000110.7K335 F336 V337 M341 S342K335-S339 WeakPolarHBondContact O-CB 3.45Å; K335-S339 PolarHBondContact O-N 2.87Å; F336-S339 PolarHBondContact O-N 2.87Å; V337-S339 VanDerWaalsContact C-N 3.3Å; V337-S339 PolarHBondContact O-N 3.05Å; S339-M341 VanDerWaalsContact C-N 3.34Å; S339-M341 PolarHBondContact O-N 2.89Å; S339-S342 PolarHBondContact O-N 2.84Å; S339-S342 PolarHBondContact O-OG 3.01Å
340F83.8Confident80.2Confident13 Ų1365.7 Ų65.76%0.05737%0.371CS..Hα-helixtrans-68-32.6-179-163.7-93.8000112.7F336 V337 S342 E343 L344 V347 K550 I553 L557F336-F340 PolarHBondContact O-N 3.45Å; V337-F340 PolarHBondContact O-N 2.75Å; V337-F340 VanDerWaalsContact O-N 3.1Å; F340-S342 PolarHBondContact O-N 3.18Å; F340-E343 PolarHBondContact O-N 2.83Å; F340-L344 HydrophobicContact CD1-CD2 3.78Å; F340-L344 HydrophobicContact CD1-CG 4.49Å; F340-L344 HydrophobicContact CE1-CD2 3.58Å; F340-L344 PolarHBondContact O-N 3.09Å; F340-V347 HydrophobicContact CZ-CG1 4.45Å; F340-K550 HydrophobicContact CE2-CB 4.32Å; F340-K550 HydrophobicContact CE2-CG 4.39Å; F340-K550 HydrophobicContact CZ-CB 4.44Å; F340-K550 WeakPolarHBondContact CZ-O 3.37Å; F340-I553 HydrophobicContact CD1-CG2 3.91Å; F340-I553 HydrophobicContact CD2-CG2 3.84Å; F340-I553 HydrophobicContact CE1-CB 4.45Å; F340-I553 HydrophobicContact CE1-CG2 3.74Å; F340-I553 HydrophobicContact CE2-CB 4.11Å; F340-I553 HydrophobicContact CE2-CG2 3.67Å; F340-I553 HydrophobicContact CG-CG2 3.95Å; F340-I553 HydrophobicContact CZ-CB 3.97Å; F340-I553 HydrophobicContact CZ-CG2 3.62Å; F340-L557 HydrophobicContact CD1-CD2 3.76Å
341M82.7Confident81.9Confident56 Ų5660.4 Ų60.428%0.27635%0.346SS..Hα-helixtrans-54.3-34.4173.2-70.7-63.5-68.200112.2V337 S339 E343 L344 L561 G608V337-M341 HydrophobicContact CG1-CG 4.22Å; V337-M341 VanDerWaalsContact O-CG 3.27Å; V337-M341 WeakPolarHBondContact O-CG 3.26Å; V337-M341 PolarHBondContact O-N 3.04Å; S339-M341 VanDerWaalsContact C-N 3.34Å; S339-M341 PolarHBondContact O-N 2.89Å; M341-E343 VanDerWaalsContact C-N 3.33Å; M341-L344 HydrophobicContact CB-CD1 4.5Å; M341-L344 HydrophobicContact CE-CD1 3.85Å; M341-L344 HydrophobicContact SD-CD1 3.51Å; M341-L344 VanDerWaalsContact SD-CD1 3.51Å; M341-L561 HydrophobicContact CE-CD1 4.16Å; M341-L561 HydrophobicContact SD-CD1 4.14Å; M341-L561 HydrophobicContact SD-CD2 4.26Å; M341-G608 VanDerWaalsContact CE-O 3.26Å; M341-G608 WeakPolarHBondContact CE-O 3.49Å
342S83.8Confident83.7Confident93 Ų9358.6 Ų58.665%0.6533%0.331SS*.Hα-helixtrans-71.6-25176.877.10000113.9S339 F340S339-S342 PolarHBondContact O-N 2.84Å; S339-S342 PolarHBondContact O-OG 3.01Å; F340-S342 PolarHBondContact O-N 3.18Å
343E85.6Confident85.1Confident68 Ų6851.6 Ų51.632%0.31831%0.309SS..Hα-helixtrans-93.1-3.8178.8-65.5-170.8-148.300113.5F340 M341 S345 P346 V347 K550F340-E343 PolarHBondContact O-N 2.83Å; M341-E343 VanDerWaalsContact C-N 3.33Å; E343-S345 VanDerWaalsContact C-N 3.34Å; E343-S345 PolarHBondContact O-N 3.39Å; E343-P346 WeakPolarHBondContact O-CD 3.39Å; E343-P346 VanDerWaalsContact O-CG 3.29Å; E343-P346 WeakPolarHBondContact O-CG 3.2Å; E343-V347 HydrophobicContact CB-CG2 4.43Å; E343-V347 WeakPolarHBondContact O-CB 3.45Å; E343-V347 VanDerWaalsContact O-CG2 3.24Å; E343-V347 WeakPolarHBondContact O-CG2 3.26Å; E343-V347 PolarHBondContact O-N 2.87Å; E343-K550 WeakPolarHBondContact OE2-CE 3.22Å; E343-K550 IonicContact OE2-NZ 2.67Å; E343-K550 PolarHBondContact OE2-NZ 2.97Å
344L86.9Confident86.4Confident2 Ų252 Ų521%0.0131%0.311CS..Hα-helixtrans-58.5-40-175.2-73.2177.7000113.8F340 M341 R348 Y554 L558 G608F340-L344 HydrophobicContact CD1-CD2 3.78Å; F340-L344 HydrophobicContact CD1-CG 4.49Å; F340-L344 HydrophobicContact CE1-CD2 3.58Å; F340-L344 PolarHBondContact O-N 3.09Å; M341-L344 HydrophobicContact CB-CD1 4.5Å; M341-L344 HydrophobicContact CE-CD1 3.85Å; M341-L344 HydrophobicContact SD-CD1 3.51Å; M341-L344 VanDerWaalsContact SD-CD1 3.51Å; L344-R348 VanDerWaalsContact O-CB 3.26Å; L344-R348 WeakPolarHBondContact O-CB 3.07Å; L344-R348 PolarHBondContact O-N 3.1Å; L344-Y554 HydrophobicContact CD2-CD2 3.46Å; L344-Y554 VanDerWaalsContact CD2-CD2 3.46Å; L344-Y554 HydrophobicContact CD2-CE2 3.92Å; L344-Y554 HydrophobicContact CD2-CG 4.46Å; L344-L558 HydrophobicContact CD1-CD2 4.16Å; L344-L558 HydrophobicContact CD2-CD2 4.31Å; L344-G608 VanDerWaalsContact CD1-CA 3.43Å
345S89.1Confident87.7Confident90 Ų9048.9 Ų48.963%0.62929%0.289SS*.Hα-helixtrans-64.9-50.8-175.9-168.30000113.7E343 A349E343-S345 VanDerWaalsContact C-N 3.34Å; E343-S345 PolarHBondContact O-N 3.39Å; S345-A349 PolarHBondContact O-N 2.88Å
346P91.4Very high88.6Confident69 Ų6943.7 Ų43.745%0.44827%0.269SS..Hα-helixtrans-65.5-41.2174.223.5-32.6000112.2E343 R348 A349 E350E343-P346 WeakPolarHBondContact O-CD 3.39Å; E343-P346 VanDerWaalsContact O-CG 3.29Å; E343-P346 WeakPolarHBondContact O-CG 3.2Å; P346-R348 VanDerWaalsContact C-N 3.29Å; P346-R348 PolarHBondContact O-N 2.82Å; P346-A349 PolarHBondContact O-N 2.85Å; P346-E350 PolarHBondContact O-N 3.13Å
347V92.4Very high89.2Confident2 Ų244.2 Ų44.21%0.01227%0.272CS..Hα-helixtrans-60.2-38.9178.2174.10000111.6F340 E343 L351 K550 F551 Y554F340-V347 HydrophobicContact CZ-CG1 4.45Å; E343-V347 HydrophobicContact CB-CG2 4.43Å; E343-V347 WeakPolarHBondContact O-CB 3.45Å; E343-V347 VanDerWaalsContact O-CG2 3.24Å; E343-V347 WeakPolarHBondContact O-CG2 3.26Å; E343-V347 PolarHBondContact O-N 2.87Å; V347-L351 VanDerWaalsContact O-CB 3.28Å; V347-L351 WeakPolarHBondContact O-CB 3.06Å; V347-L351 PolarHBondContact O-N 3.33Å; V347-K550 HydrophobicContact CG1-CB 4.08Å; V347-K550 HydrophobicContact CG2-CB 4.06Å; V347-K550 HydrophobicContact CG2-CD 3.74Å; V347-K550 HydrophobicContact CG2-CG 4.5Å; V347-F551 HydrophobicContact CG1-CD1 3.93Å; V347-F551 HydrophobicContact CG1-CE1 4.34Å; V347-Y554 HydrophobicContact CG1-CD2 3.99Å; V347-Y554 HydrophobicContact CG1-CG 4.11Å
348R93.6Very high89.6Confident19 Ų1942.9 Ų42.97%0.07226%0.264CS..Hα-helixtrans-64.4-40.6173.1174163.4168.753.1-6.6112.8L344 P346 L351 L352 E367 Y554 S606L344-R348 VanDerWaalsContact O-CB 3.26Å; L344-R348 WeakPolarHBondContact O-CB 3.07Å; L344-R348 PolarHBondContact O-N 3.1Å; P346-R348 VanDerWaalsContact C-N 3.29Å; P346-R348 PolarHBondContact O-N 2.82Å; R348-L351 PolarHBondContact O-N 2.8Å; R348-L352 VanDerWaalsContact O-CB 3.3Å; R348-L352 WeakPolarHBondContact O-CB 3.33Å; R348-L352 PolarHBondContact O-N 3.39Å; R348-E367 IonicContact CZ-OE2 3.13Å; R348-E367 VanDerWaalsContact CZ-OE2 3.24Å; R348-E367 IonicContact NH1-OE2 3.12Å; R348-E367 PolarHBondContact NH1-OE2 2.81Å; R348-E367 IonicContact NH2-OE1 3.58Å; R348-E367 PolarHBondContact NH2-OE1 2.91Å; R348-E367 IonicContact NH2-OE2 2.7Å; R348-E367 PolarHBondContact NH2-OE2 3.42Å; R348-Y554 HydrophobicContact CB-CE2 3.87Å; R348-Y554 WeakPolarHBondContact CD-OH 3.05Å; R348-S606 WeakPolarHBondContact CD-O 3.43Å; R348-S606 PolarHBondContact NE-OG 2.9Å; R348-S606 PolarHBondContact NH2-OG 3.44Å
349A93.2Very high90Very high64 Ų6439.3 Ų39.353%0.52924%0.239SC..Hα-helixtrans-66.8-42.9179.100000111.5S345 P346 L352 G353S345-A349 PolarHBondContact O-N 2.88Å; P346-A349 PolarHBondContact O-N 2.85Å; A349-L352 PolarHBondContact O-N 3.24Å; A349-G353 PolarHBondContact O-N 2.93Å
350E93.6Very high90.2Very high92 Ų9236.4 Ų36.443%0.4322%0.218SC..Hα-helixtrans-62.5-45.8173.6-70.8173.7-162.500111.8P346 L352 G353 F354 F551P346-E350 PolarHBondContact O-N 3.13Å; E350-L352 VanDerWaalsContact C-N 3.35Å; E350-L352 PolarHBondContact O-N 3.48Å; E350-G353 PolarHBondContact O-N 2.71Å; E350-F354 WeakPolarHBondContact O-CB 3.4Å; E350-F354 PolarHBondContact O-N 3.35Å; E350-F551 HydrophobicContact CB-CE1 3.85Å; E350-F551 HydrophobicContact CB-CZ 3.94Å
351L93.7Very high90.3Very high0 Ų036.1 Ų36.10%022%0.219CC..Hα-helixtrans-62.3-41177178.961.2000111.9V347 R348 F354 L355 I370 L413 F551 Y554 L555V347-L351 VanDerWaalsContact O-CB 3.28Å; V347-L351 WeakPolarHBondContact O-CB 3.06Å; V347-L351 PolarHBondContact O-N 3.33Å; R348-L351 PolarHBondContact O-N 2.8Å; L351-F354 PolarHBondContact O-N 2.77Å; L351-L355 HydrophobicContact CD1-CD1 3.87Å; L351-L355 HydrophobicContact CD1-CG 4.05Å; L351-L355 HydrophobicContact CG-CD1 4.03Å; L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 WeakPolarHBondContact O-CG 3.3Å; L351-L355 PolarHBondContact O-N 2.7Å; L351-I370 HydrophobicContact CD2-CD1 4.22Å; L351-I370 HydrophobicContact CD2-CG1 4.16Å; L351-I370 HydrophobicContact CG-CD1 4.05Å; L351-I370 HydrophobicContact CG-CG1 4.25Å; L351-L413 HydrophobicContact CD1-CD2 4.41Å; L351-F551 HydrophobicContact CB-CD1 3.83Å; L351-F551 HydrophobicContact CB-CE1 3.72Å; L351-F551 HydrophobicContact CB-CG 4.39Å; L351-F551 HydrophobicContact CB-CZ 4.17Å; L351-F551 HydrophobicContact CD1-CB 4.18Å; L351-F551 HydrophobicContact CD1-CD1 4.15Å; L351-F551 HydrophobicContact CD1-CD2 3.88Å; L351-F551 HydrophobicContact CD1-CE2 4.25Å; L351-F551 HydrophobicContact CD1-CG 3.83Å; L351-F551 HydrophobicContact CG-CD1 4.46Å; L351-Y554 HydrophobicContact CD2-CD1 3.68Å; L351-Y554 HydrophobicContact CD2-CE1 3.59Å; L351-L555 HydrophobicContact CD2-CD2 4.04Å; L351-L555 HydrophobicContact CD2-CG 4.33Å
352L94.6Very high90.7Very high35 Ų3533.5 Ų33.518%0.18321%0.206CC..Hα-helixtrans-65.3-42.2176.8179.561.4000111.3R348 A349 E350 T356 A366 E367 I370R348-L352 VanDerWaalsContact O-CB 3.3Å; R348-L352 WeakPolarHBondContact O-CB 3.33Å; R348-L352 PolarHBondContact O-N 3.39Å; A349-L352 PolarHBondContact O-N 3.24Å; E350-L352 VanDerWaalsContact C-N 3.35Å; E350-L352 PolarHBondContact O-N 3.48Å; L352-T356 VanDerWaalsContact O-CB 3.25Å; L352-T356 WeakPolarHBondContact O-CB 3.44Å; L352-T356 PolarHBondContact O-N 2.95Å; L352-T356 PolarHBondContact O-OG1 2.9Å; L352-A366 HydrophobicContact CD1-CB 3.75Å; L352-E367 HydrophobicContact CD1-CB 4.42Å; L352-E367 HydrophobicContact CD1-CG 3.82Å; L352-E367 HydrophobicContact CD2-CG 4.19Å; L352-I370 HydrophobicContact CB-CD1 3.97Å; L352-I370 HydrophobicContact CD1-CD1 4.09Å
353G93.1Very high91.1Very high31 Ų3132 Ų3232%0.3220%0.196SC..Hα-helixtrans-60.4-47.7173.700000112.1A349 E350 T356 H357A349-G353 PolarHBondContact O-N 2.93Å; E350-G353 PolarHBondContact O-N 2.71Å; G353-T356 WeakPolarHBondContact O-CB 3.18Å; G353-T356 PolarHBondContact O-N 3.48Å; G353-H357 PolarHBondContact O-CD2 3.46Å; G353-H357 PolarHBondContact O-N 2.7Å; G353-H357 VanDerWaalsContact O-N 3.08Å
354F93.3Very high91.5Very high12 Ų1229.5 Ų29.55%0.05318%0.184CC..Hα-helixtrans-58.1-49.7176.8175.2-106.8000112.5E350 L351 T356 H357 A358 I409 L413 L539 L540 V543 F551E350-F354 WeakPolarHBondContact O-CB 3.4Å; E350-F354 PolarHBondContact O-N 3.35Å; L351-F354 PolarHBondContact O-N 2.77Å; F354-T356 VanDerWaalsContact C-N 3.33Å; F354-T356 PolarHBondContact O-N 3.49Å; F354-H357 PolarHBondContact O-N 3.27Å; F354-A358 PolarHBondContact O-N 2.71Å; F354-I409 HydrophobicContact CE1-CG2 3.7Å; F354-I409 HydrophobicContact CZ-CG2 3.97Å; F354-L413 HydrophobicContact CE1-CD1 4.18Å; F354-L413 HydrophobicContact CE1-CD2 4.33Å; F354-L539 HydrophobicContact CD2-CD1 3.74Å; F354-L539 HydrophobicContact CD2-CG 4.08Å; F354-L539 HydrophobicContact CE2-CD1 3.87Å; F354-L539 HydrophobicContact CE2-CD2 4.28Å; F354-L539 HydrophobicContact CE2-CG 3.69Å; F354-L540 HydrophobicContact CZ-CD2 4.45Å; F354-V543 HydrophobicContact CD2-CG2 3.41Å; F354-V543 VanDerWaalsContact CD2-CG2 3.41Å; F354-V543 HydrophobicContact CE2-CG2 3.48Å; F354-V543 VanDerWaalsContact CE2-CG2 3.48Å; F354-V543 HydrophobicContact CG-CG2 4.41Å; F354-F551 HydrophobicContact CB-CE2 4.16Å; F354-F551 HydrophobicContact CB-CZ 4.46Å; F354-F551 HydrophobicContact CD1-CE2 4.21Å; F354-F551 HydrophobicContact CG-CE2 4.17Å
355L93.1Very high91.8Very high0 Ų029.6 Ų29.60%019%0.185CC..Hα-helixtrans-70.8-28179-69.3176.4000112.9L351 A358 L359 A366 L369 I370 I409 L413L351-L355 HydrophobicContact CD1-CD1 3.87Å; L351-L355 HydrophobicContact CD1-CG 4.05Å; L351-L355 HydrophobicContact CG-CD1 4.03Å; L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 WeakPolarHBondContact O-CG 3.3Å; L351-L355 PolarHBondContact O-N 2.7Å; L355-A358 PolarHBondContact O-N 2.96Å; L355-L359 WeakPolarHBondContact O-CB 3.36Å; L355-L359 WeakPolarHBondContact O-CG 3.3Å; L355-L359 PolarHBondContact O-N 3.33Å; L355-A366 HydrophobicContact CB-CB 3.93Å; L355-L369 HydrophobicContact CD1-CD2 4.43Å; L355-L369 HydrophobicContact CD2-CD2 4.04Å; L355-I370 HydrophobicContact CD1-CD1 4.19Å; L355-I370 HydrophobicContact CD1-CG1 3.51Å; L355-I409 HydrophobicContact CD2-CG2 4.36Å; L355-L413 HydrophobicContact CD2-CD1 3.93Å
356T93.4Very high92Very high23 Ų2325.3 Ų25.314%0.14116%0.155CC..Hα-helixtrans-62.6-43.8171.2-620000110.4L352 G353 F354 L359 L360 G361L352-T356 VanDerWaalsContact O-CB 3.25Å; L352-T356 WeakPolarHBondContact O-CB 3.44Å; L352-T356 PolarHBondContact O-N 2.95Å; L352-T356 PolarHBondContact O-OG1 2.9Å; G353-T356 WeakPolarHBondContact O-CB 3.18Å; G353-T356 PolarHBondContact O-N 3.48Å; F354-T356 VanDerWaalsContact C-N 3.33Å; F354-T356 PolarHBondContact O-N 3.49Å; T356-L359 CarbonylContact O-C 3.59Å; T356-L359 PolarHBondContact O-N 3.4Å; T356-L360 PolarHBondContact O-N 3.5Å; T356-G361 WeakPolarHBondContact CG2-O 3.23Å; T356-G361 VanDerWaalsContact O-CA 3.29Å; T356-G361 WeakPolarHBondContact O-CA 3.49Å; T356-G361 PolarHBondContact O-N 2.94Å
357H90.2Very high92.1Very high87 Ų8722.5 Ų22.540%0.40314%0.136SC..Hα-helixtrans-67-40.7173.4-71.6-60.1000112.6G353 F354 L359 L360 Y535 L539G353-H357 PolarHBondContact O-CD2 3.46Å; G353-H357 PolarHBondContact O-N 2.7Å; G353-H357 VanDerWaalsContact O-N 3.08Å; F354-H357 PolarHBondContact O-N 3.27Å; H357-L359 PolarHBondContact O-N 3.05Å; H357-L360 PolarHBondContact O-N 3.02Å; H357-L360 VanDerWaalsContact O-N 3.1Å; H357-Y535 PolarHBondContact ND1-OH 2.87Å; H357-L539 HydrophobicContact CB-CD1 3.87Å; H357-L539 HydrophobicContact CB-CD2 4.1Å
358A89.1Confident92.2Very high0 Ų022.4 Ų22.40%014%0.136CC..Hα-helixtrans-60.2-30.4174.700000113.1F354 L355 F402 I409 L539F354-A358 PolarHBondContact O-N 2.71Å; L355-A358 PolarHBondContact O-N 2.96Å; A358-F402 WeakPolarHBondContact O-CE2 3.34Å; A358-I409 HydrophobicContact CB-CD1 3.63Å; A358-I409 HydrophobicContact CB-CG2 4.49Å; A358-L539 HydrophobicContact CB-CD2 3.93Å
359L90.1Very high92.3Very high1 Ų121.9 Ų21.91%0.00513%0.134CC..THydrogen-bonded Turntrans-101.134.7176.4-63.1170.8000112.2L355 T356 H357 G361 D362 A365 A366 L369 L393 F402 L406 L523L355-L359 WeakPolarHBondContact O-CB 3.36Å; L355-L359 WeakPolarHBondContact O-CG 3.3Å; L355-L359 PolarHBondContact O-N 3.33Å; T356-L359 CarbonylContact O-C 3.59Å; T356-L359 PolarHBondContact O-N 3.4Å; H357-L359 PolarHBondContact O-N 3.05Å; L359-G361 VanDerWaalsContact C-N 3.27Å; L359-G361 PolarHBondContact O-N 2.88Å; L359-D362 HydrophobicContact CB-CB 4.49Å; L359-D362 WeakPolarHBondContact O-CB 3.48Å; L359-D362 PolarHBondContact O-N 3.17Å; L359-A365 VanDerWaalsContact CD1-C 3.49Å; L359-A365 HydrophobicContact CD1-CB 3.84Å; L359-A366 HydrophobicContact CD1-CB 4.06Å; L359-L369 HydrophobicContact CD1-CB 4.33Å; L359-L369 HydrophobicContact CD1-CD2 3.95Å; L359-L369 HydrophobicContact CG-CD2 4.5Å; L359-L393 HydrophobicContact CD2-CD2 3.86Å; L359-F402 HydrophobicContact CD2-CZ 4.08Å; L359-L406 HydrophobicContact CD2-CD1 3.88Å; L359-L406 HydrophobicContact CD2-CD2 4.15Å; L359-L523 HydrophobicContact CB-CD1 4.13Å; L359-L523 HydrophobicContact CD2-CD1 4.39Å
360L87.9Confident92.4Very high7 Ų718.9 Ų18.94%0.03711%0.109CC..THydrogen-bonded Turntrans58.135.2169.1-55.6178.5000114.2T356 H357 F402 P525 Q526 L527 P529 M532T356-L360 PolarHBondContact O-N 3.5Å; H357-L360 PolarHBondContact O-N 3.02Å; H357-L360 VanDerWaalsContact O-N 3.1Å; L360-F402 HydrophobicContact CD1-CD2 4.33Å; L360-F402 HydrophobicContact CD1-CE2 4.07Å; L360-F402 HydrophobicContact CG-CE2 3.95Å; L360-P525 HydrophobicContact CB-CB 3.88Å; L360-P525 HydrophobicContact CD1-CB 4.01Å; L360-P525 HydrophobicContact CD1-CG 4.05Å; L360-Q526 PolarHBondContact O-N 2.78Å; L360-L527 PolarHBondContact O-N 3.42Å; L360-P529 HydrophobicContact CD2-CG 4.18Å; L360-M532 HydrophobicContact CD1-CE 4.22Å; L360-M532 HydrophobicContact CD2-CE 3.93Å; L360-M532 HydrophobicContact CD2-SD 4.09Å
361G86.3Confident92.4Very high8 Ų814.5 Ų14.58%0.0829%0.088CC..THydrogen-bonded Turntrans89.5-0.3-17900000114.9T356 L359 S363 Q526T356-G361 WeakPolarHBondContact CG2-O 3.23Å; T356-G361 VanDerWaalsContact O-CA 3.29Å; T356-G361 WeakPolarHBondContact O-CA 3.49Å; T356-G361 PolarHBondContact O-N 2.94Å; L359-G361 VanDerWaalsContact C-N 3.27Å; L359-G361 PolarHBondContact O-N 2.88Å; G361-S363 PolarHBondContact O-N 3.08Å; G361-S363 VanDerWaalsContact O-N 3.15Å; G361-Q526 VanDerWaalsContact O-CD 3.29Å; G361-Q526 PolarHBondContact O-NE2 3.43Å; G361-Q526 PolarHBondContact O-OE1 2.99Å
362D91.2Very high92.5Very high0 Ų014.5 Ų14.50%09%0.088CC..  trans-82.892.1-178.4-167-10.2000113L359 L364 A365 A366 L523 Q524 R630L359-D362 HydrophobicContact CB-CB 4.49Å; L359-D362 WeakPolarHBondContact O-CB 3.48Å; L359-D362 PolarHBondContact O-N 3.17Å; D362-L364 VanDerWaalsContact C-N 3.3Å; D362-L364 PolarHBondContact O-N 3.19Å; D362-L364 PolarHBondContact OD1-N 3.03Å; D362-L364 VanDerWaalsContact OD1-N 3.17Å; D362-A365 HydrophobicContact CB-CB 4.05Å; D362-A365 PolarHBondContact O-N 2.65Å; D362-A365 PolarHBondContact OD1-N 2.69Å; D362-A366 WeakPolarHBondContact O-CB 3.44Å; D362-A366 PolarHBondContact O-N 3.33Å; D362-L523 HydrophobicContact CB-CD1 3.97Å; D362-Q524 PolarHBondContact OD2-N 2.96Å; D362-R630 VanDerWaalsContact CG-NH1 3.3Å; D362-R630 IonicContact OD1-CZ 3.92Å; D362-R630 IonicContact OD1-NH1 2.68Å; D362-R630 PolarHBondContact OD1-NH1 3.09Å; D362-R630 VanDerWaalsContact OD1-NH1 3.08Å; D362-R630 IonicContact OD1-NH2 2.89Å; D362-R630 PolarHBondContact OD1-NH2 3.23Å; D362-R630 IonicContact OD2-CZ 2.73Å; D362-R630 IonicContact OD2-NH1 3.73Å; D362-R630 PolarHBondContact OD2-NH1 3.3Å; D362-R630 IonicContact OD2-NH2 2.66Å; D362-R630 PolarHBondContact OD2-NH2 2.66Å
363S92.4Very high92.4Very high62 Ų6212.8 Ų12.843%0.4348%0.08SC..Hα-helixtrans-67.2-25.2179.759.90000114.3G361 E367G361-S363 PolarHBondContact O-N 3.08Å; G361-S363 VanDerWaalsContact O-N 3.15Å; S363-E367 PolarHBondContact O-N 3.2Å
364L92.9Very high92.4Very high16 Ų1611.5 Ų11.58%0.0847%0.065CC..Hα-helixtrans-73.3-45.6176.9-176.164.8000110.3D362 A366 E367 Y368 L623 L626D362-L364 VanDerWaalsContact C-N 3.3Å; D362-L364 PolarHBondContact O-N 3.19Å; D362-L364 PolarHBondContact OD1-N 3.03Å; D362-L364 VanDerWaalsContact OD1-N 3.17Å; L364-A366 VanDerWaalsContact C-N 3.28Å; L364-A366 PolarHBondContact O-N 2.84Å; L364-E367 PolarHBondContact O-N 2.97Å; L364-Y368 HydrophobicContact CD1-CD2 4.23Å; L364-Y368 HydrophobicContact CD1-CE2 3.8Å; L364-Y368 HydrophobicContact CG-CD2 4.26Å; L364-Y368 HydrophobicContact CG-CE2 4.09Å; L364-Y368 VanDerWaalsContact O-CD2 3.29Å; L364-Y368 WeakPolarHBondContact O-CD2 3.42Å; L364-Y368 PolarHBondContact O-N 2.72Å; L364-L623 HydrophobicContact CD1-CD2 3.51Å; L364-L626 HydrophobicContact CD1-CB 4.42Å; L364-L626 HydrophobicContact CD2-CB 4.04Å
365A92.9Very high92.4Very high3 Ų311 Ų113%0.0256%0.064CC..Hα-helixtrans-62.2-37.7174.500000111.4L359 D362 Y368 L369 L393 I521 L523L359-A365 VanDerWaalsContact CD1-C 3.49Å; L359-A365 HydrophobicContact CD1-CB 3.84Å; D362-A365 HydrophobicContact CB-CB 4.05Å; D362-A365 PolarHBondContact O-N 2.65Å; D362-A365 PolarHBondContact OD1-N 2.69Å; A365-Y368 PolarHBondContact O-N 3.45Å; A365-L369 WeakPolarHBondContact O-CB 3.39Å; A365-L369 PolarHBondContact O-N 2.77Å; A365-L393 HydrophobicContact CB-CD1 4.07Å; A365-I521 HydrophobicContact CB-CG2 4.35Å; A365-L523 HydrophobicContact CB-CD1 4.26Å
366A94Very high92.2Very high0 Ų011.7 Ų11.70%07%0.068CC..Hα-helixtrans-64.8-41.6176.100000113.6L352 L355 L359 D362 L364 L369 I370L352-A366 HydrophobicContact CD1-CB 3.75Å; L355-A366 HydrophobicContact CB-CB 3.93Å; L359-A366 HydrophobicContact CD1-CB 4.06Å; D362-A366 WeakPolarHBondContact O-CB 3.44Å; D362-A366 PolarHBondContact O-N 3.33Å; L364-A366 VanDerWaalsContact C-N 3.28Å; L364-A366 PolarHBondContact O-N 2.84Å; A366-L369 PolarHBondContact O-N 3.45Å; A366-I370 WeakPolarHBondContact O-CG1 3.36Å; A366-I370 PolarHBondContact O-N 2.86Å; A366-I370 VanDerWaalsContact O-N 3.11Å
367E93.9Very high91.9Very high10 Ų1011.6 Ų11.65%0.0477%0.067CC..Hα-helixtrans-55.8-53.7173.3-84.3-77.3-138.300110.7R348 L352 S363 L364 L369 I370 L371 R619R348-E367 IonicContact CZ-OE2 3.13Å; R348-E367 VanDerWaalsContact CZ-OE2 3.24Å; R348-E367 IonicContact NH1-OE2 3.12Å; R348-E367 PolarHBondContact NH1-OE2 2.81Å; R348-E367 IonicContact NH2-OE1 3.58Å; R348-E367 PolarHBondContact NH2-OE1 2.91Å; R348-E367 IonicContact NH2-OE2 2.7Å; R348-E367 PolarHBondContact NH2-OE2 3.42Å; L352-E367 HydrophobicContact CD1-CB 4.42Å; L352-E367 HydrophobicContact CD1-CG 3.82Å; L352-E367 HydrophobicContact CD2-CG 4.19Å; S363-E367 PolarHBondContact O-N 3.2Å; L364-E367 PolarHBondContact O-N 2.97Å; E367-L369 VanDerWaalsContact C-N 3.35Å; E367-L369 PolarHBondContact O-N 3.5Å; E367-I370 WeakPolarHBondContact O-CB 3.37Å; E367-I370 PolarHBondContact O-N 2.91Å; E367-I370 VanDerWaalsContact O-N 3.15Å; E367-L371 WeakPolarHBondContact O-CG 3.46Å; E367-L371 PolarHBondContact O-N 3Å; E367-L371 VanDerWaalsContact O-N 3.11Å; E367-R619 IonicContact OE1-CZ 3.36Å; E367-R619 IonicContact OE1-NE 3.11Å; E367-R619 IonicContact OE1-NH2 2.74Å; E367-R619 PolarHBondContact OE1-NH2 3.17Å
368Y94.8Very high91.5Very high1 Ų112.6 Ų12.60%0.0047%0.068CC..Hα-helixtrans-65.9-32.3-179.6-78.2-74.3000113.9L364 A365 I370 L371 H372 F389 I521 V599 L623 E624 R627L364-Y368 HydrophobicContact CD1-CD2 4.23Å; L364-Y368 HydrophobicContact CD1-CE2 3.8Å; L364-Y368 HydrophobicContact CG-CD2 4.26Å; L364-Y368 HydrophobicContact CG-CE2 4.09Å; L364-Y368 VanDerWaalsContact O-CD2 3.29Å; L364-Y368 WeakPolarHBondContact O-CD2 3.42Å; L364-Y368 PolarHBondContact O-N 2.72Å; A365-Y368 PolarHBondContact O-N 3.45Å; Y368-I370 VanDerWaalsContact C-N 3.31Å; Y368-I370 PolarHBondContact O-N 3.29Å; Y368-L371 HydrophobicContact CD1-CD1 4.05Å; Y368-L371 HydrophobicContact CE1-CD1 4.46Å; Y368-L371 PolarHBondContact O-N 3.46Å; Y368-H372 WeakPolarHBondContact O-CB 3.39Å; Y368-H372 PolarHBondContact O-N 3.43Å; Y368-F389 HydrophobicContact CD1-CE1 4.06Å; Y368-F389 AromaticContact CD1-CZ 3.84Å; Y368-F389 HydrophobicContact CD1-CZ 3.84Å; Y368-F389 HydrophobicContact CE1-CZ 4.21Å; Y368-I521 HydrophobicContact CD1-CD1 3.98Å; Y368-I521 HydrophobicContact CD2-CD1 3.44Å; Y368-I521 VanDerWaalsContact CD2-CD1 3.44Å; Y368-I521 HydrophobicContact CD2-CG1 4.07Å; Y368-I521 HydrophobicContact CE2-CD1 4.28Å; Y368-I521 HydrophobicContact CE2-CG1 4.49Å; Y368-I521 HydrophobicContact CG-CD1 3.27Å; Y368-I521 HydrophobicContact CG-CG1 4.27Å; Y368-V599 HydrophobicContact CE1-CG1 4.46Å; Y368-V599 HydrophobicContact CE1-CG2 4.23Å; Y368-L623 PolarHBondContact OH-O 2.99Å; Y368-E624 PolarHBondContact OH-N 2.95Å; Y368-R627 HydrophobicContact CE2-CB 4.22Å; Y368-R627 HydrophobicContact CE2-CG 4.47Å
369L94.9Very high91.1Very high8 Ų815.4 Ų15.44%0.0429%0.085CC..Hα-helixtrans-63.4-37.9173.2-177.959.6000111.2L355 L359 A365 A366 E367 H372 L373 L406 L506L355-L369 HydrophobicContact CD1-CD2 4.43Å; L355-L369 HydrophobicContact CD2-CD2 4.04Å; L359-L369 HydrophobicContact CD1-CB 4.33Å; L359-L369 HydrophobicContact CD1-CD2 3.95Å; L359-L369 HydrophobicContact CG-CD2 4.5Å; A365-L369 WeakPolarHBondContact O-CB 3.39Å; A365-L369 PolarHBondContact O-N 2.77Å; A366-L369 PolarHBondContact O-N 3.45Å; E367-L369 VanDerWaalsContact C-N 3.35Å; E367-L369 PolarHBondContact O-N 3.5Å; L369-H372 PolarHBondContact O-N 3.3Å; L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CD1-CG 4.31Å; L369-L373 HydrophobicContact CG-CD1 4.16Å; L369-L373 WeakPolarHBondContact O-CB 3.47Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.25Å; L369-L373 PolarHBondContact O-N 2.91Å; L369-L406 HydrophobicContact CD2-CD1 4.34Å; L369-L506 HydrophobicContact CD1-CD1 4.28Å; L369-L506 HydrophobicContact CD1-CD2 4.03Å
370I95.1Very high90.7Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-62.8-46171.3-63.6170000110.4L351 L352 L355 A366 E367 Y368 H372 L373 I374 Y554L351-I370 HydrophobicContact CD2-CD1 4.22Å; L351-I370 HydrophobicContact CD2-CG1 4.16Å; L351-I370 HydrophobicContact CG-CD1 4.05Å; L351-I370 HydrophobicContact CG-CG1 4.25Å; L352-I370 HydrophobicContact CB-CD1 3.97Å; L352-I370 HydrophobicContact CD1-CD1 4.09Å; L355-I370 HydrophobicContact CD1-CD1 4.19Å; L355-I370 HydrophobicContact CD1-CG1 3.51Å; A366-I370 WeakPolarHBondContact O-CG1 3.36Å; A366-I370 PolarHBondContact O-N 2.86Å; A366-I370 VanDerWaalsContact O-N 3.11Å; E367-I370 WeakPolarHBondContact O-CB 3.37Å; E367-I370 PolarHBondContact O-N 2.91Å; E367-I370 VanDerWaalsContact O-N 3.15Å; Y368-I370 VanDerWaalsContact C-N 3.31Å; Y368-I370 PolarHBondContact O-N 3.29Å; I370-H372 VanDerWaalsContact C-N 3.28Å; I370-H372 PolarHBondContact O-N 3.49Å; I370-L373 PolarHBondContact O-N 3.23Å; I370-I374 WeakPolarHBondContact O-CG1 3.39Å; I370-I374 PolarHBondContact O-N 2.85Å; I370-I374 VanDerWaalsContact O-N 3.07Å; I370-Y554 HydrophobicContact CG2-CE1 4.22Å
371L94.3Very high90.2Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-59.2-40.1178.7-55.7-173.7000112E367 Y368 I374 S375 F389 V599 C602 L603E367-L371 WeakPolarHBondContact O-CG 3.46Å; E367-L371 PolarHBondContact O-N 3Å; E367-L371 VanDerWaalsContact O-N 3.11Å; Y368-L371 HydrophobicContact CD1-CD1 4.05Å; Y368-L371 HydrophobicContact CE1-CD1 4.46Å; Y368-L371 PolarHBondContact O-N 3.46Å; L371-I374 HydrophobicContact CD2-CD1 4.46Å; L371-I374 WeakPolarHBondContact O-CG1 2.81Å; L371-S375 WeakPolarHBondContact O-CB 2.89Å; L371-S375 PolarHBondContact O-N 3.33Å; L371-F389 HydrophobicContact CB-CD1 4.27Å; L371-F389 HydrophobicContact CB-CE1 4.05Å; L371-V599 HydrophobicContact CD1-CG1 4Å; L371-C602 HydrophobicContact CB-CB 3.9Å; L371-C602 HydrophobicContact CD2-CB 3.72Å; L371-C602 HydrophobicContact CG-CB 4.24Å; L371-L603 HydrophobicContact CD1-CD2 4.18Å; L371-L603 HydrophobicContact CD1-CG 3.93Å; L371-L603 HydrophobicContact CD2-CD2 3.88Å; L371-L603 HydrophobicContact CD2-CG 3.88Å
372H94.7Very high89.6Confident0 Ų035.2 Ų35.20%017%0.169CC..Hα-helixtrans-62.3-50173.3171.966.1000112.3Y368 L369 I370 I374 S375 F389 V391 N504 V505Y368-H372 WeakPolarHBondContact O-CB 3.39Å; Y368-H372 PolarHBondContact O-N 3.43Å; L369-H372 PolarHBondContact O-N 3.3Å; I370-H372 VanDerWaalsContact C-N 3.28Å; I370-H372 PolarHBondContact O-N 3.49Å; H372-I374 VanDerWaalsContact C-N 3.26Å; H372-I374 PolarHBondContact O-N 3.14Å; H372-S375 WeakPolarHBondContact O-CB 3.3Å; H372-S375 PolarHBondContact O-N 2.9Å; H372-S375 VanDerWaalsContact O-N 3.16Å; H372-S375 PolarHBondContact O-OG 2.66Å; H372-F389 HydrophobicContact CB-CD1 4.25Å; H372-F389 PolarHBondContact ND1-O 3.12Å; H372-V391 HydrophobicContact CB-CB 4.37Å; H372-V391 HydrophobicContact CB-CG2 3.82Å; H372-N504 PolarHBondContact O-ND2 2.81Å; H372-N504 VanDerWaalsContact O-ND2 3.09Å; H372-V505 PolarHBondContact CE1-O 3.39Å
373L93.6Very high88.8Confident0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-65.6-25.6-177.1-68.9171.9000113.3L369 I370 I410 V414 L555 R559L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CD1-CG 4.31Å; L369-L373 HydrophobicContact CG-CD1 4.16Å; L369-L373 WeakPolarHBondContact O-CB 3.47Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.25Å; L369-L373 PolarHBondContact O-N 2.91Å; I370-L373 PolarHBondContact O-N 3.23Å; L373-I410 HydrophobicContact CD2-CG2 4.38Å; L373-V414 HydrophobicContact CD2-CG1 3.82Å; L373-L555 HydrophobicContact CB-CD1 4.49Å; L373-L555 HydrophobicContact CB-CD2 3.79Å; L373-L555 HydrophobicContact CD1-CD1 4.16Å; L373-L555 HydrophobicContact CD1-CD2 4.44Å; L373-R559 VanDerWaalsContact O-CZ 3.25Å; L373-R559 PolarHBondContact O-NE 2.6Å; L373-R559 PolarHBondContact O-NH2 2.94Å
374I93.4Very high88.2Confident3 Ų340.7 Ų40.72%0.01520%0.196CC..Hα-helixtrans-94.4-11.7174.970-175.8000114.1I370 L371 H372 Y554 L555 L558 C602I370-I374 WeakPolarHBondContact O-CG1 3.39Å; I370-I374 PolarHBondContact O-N 2.85Å; I370-I374 VanDerWaalsContact O-N 3.07Å; L371-I374 HydrophobicContact CD2-CD1 4.46Å; L371-I374 WeakPolarHBondContact O-CG1 2.81Å; H372-I374 VanDerWaalsContact C-N 3.26Å; H372-I374 PolarHBondContact O-N 3.14Å; I374-Y554 HydrophobicContact CG2-CE1 4.45Å; I374-L555 HydrophobicContact CG2-CD2 3.79Å; I374-L558 HydrophobicContact CB-CB 4.28Å; I374-L558 HydrophobicContact CD1-CD1 4.47Å; I374-L558 HydrophobicContact CG2-CB 4.12Å; I374-L558 HydrophobicContact CG2-CD1 3.97Å; I374-C602 HydrophobicContact CD1-CB 4.19Å; I374-C602 VanDerWaalsContact CD1-O 3.29Å; I374-C602 WeakPolarHBondContact CD1-O 3.38Å; I374-C602 HydrophobicContact CG1-CB 4.33Å
375S91.9Very high87.8Confident3 Ų340 Ų402%0.02119%0.192CC..  trans-63.6149177.872.30000111.8L371 H372 N504L371-S375 WeakPolarHBondContact O-CB 2.89Å; L371-S375 PolarHBondContact O-N 3.33Å; H372-S375 WeakPolarHBondContact O-CB 3.3Å; H372-S375 PolarHBondContact O-N 2.9Å; H372-S375 VanDerWaalsContact O-N 3.16Å; H372-S375 PolarHBondContact O-OG 2.66Å; S375-N504 PolarHBondContact O-ND2 2.86Å; S375-N504 PolarHBondContact O-OD1 2.86Å
376T90.2Very high87.4Confident14 Ų1440.8 Ų40.89%0.08620%0.196CC..  trans-159.9150.2177.743.30000110.6Y378 G387 N453 R559T376-Y378 PolarHBondContact O-N 2.86Å; T376-Y378 VanDerWaalsContact O-N 3.09Å; T376-G387 CarbonylContact C-O 3.19Å; T376-G387 PolarHBondContact N-O 3.23Å; T376-G387 CarbonylContact O-C 3.43Å; T376-G387 WeakPolarHBondContact O-CA 2.92Å; T376-G387 VanDerWaalsContact O-O 3.05Å; T376-N453 WeakPolarHBondContact CG2-OD1 3.46Å; T376-R559 HydrophobicContact CG2-CB 3.7Å; T376-R559 HydrophobicContact CG2-CG 3.75Å; T376-R559 PolarHBondContact OG1-O 3.34Å
377V86.3Confident86.8Confident20 Ų2040.9 Ų40.912%0.12120%0.198CC..  trans-7498.1169.9-175.80000109.5R380 P385 L386 K388 Q486 N502V377-R380 HydrophobicContact CG1-CG 4.17Å; V377-P385 HydrophobicContact CG1-CB 3.77Å; V377-P385 HydrophobicContact CG2-CB 4.07Å; V377-L386 WeakPolarHBondContact CA-O 3.29Å; V377-K388 HydrophobicContact CG2-CB 4.12Å; V377-Q486 HydrophobicContact CG2-CB 4.11Å; V377-Q486 HydrophobicContact CG2-CG 3.78Å; V377-N502 PolarHBondContact N-OD1 3.03Å
378Y81.2Confident86.6Confident108 Ų10841.6 Ų41.642%0.42420%0.2SC..  trans-88.3-22.6-176.168.3-85.4000113.4T376 L386 R601T376-Y378 PolarHBondContact O-N 2.86Å; T376-Y378 VanDerWaalsContact O-N 3.09Å; Y378-L386 WeakPolarHBondContact CD1-O 3.2Å; Y378-L386 VanDerWaalsContact CE1-C 3.43Å; Y378-L386 HydrophobicContact CE1-CB 3.7Å; Y378-L386 VanDerWaalsContact CE1-O 3.28Å; Y378-L386 WeakPolarHBondContact CE1-O 3.42Å; Y378-L386 HydrophobicContact CE2-CB 4.47Å; Y378-L386 PolarHBondContact N-O 2.97Å; Y378-R601 VanDerWaalsContact CD2-NH1 3.32Å; Y378-R601 VanDerWaalsContact CG-NH1 3.33Å; Y378-R601 VanDerWaalsContact CG-NH2 3.32Å
379T81.8Confident86.5Confident60 Ų6041.9 Ų41.937%0.36820%0.202SC..EExtended strand (participates in β ladder)trans-155.7142.5178.9-62.40000109.2R381 L386T379-R381 HydrophobicContact CG2-CG 4.28Å; T379-L386 WeakPolarHBondContact O-CB 3.39Å; T379-L386 PolarHBondContact O-N 2.65Å
380R82.2Confident86.4Confident90 Ų9041.6 Ų41.634%0.3420%0.2SC..EExtended strand (participates in β ladder)trans-106.6130.3165.6-62.1178.5-174-110.5-5.3107.7V377 W485 Q486 C501V377-R380 HydrophobicContact CG1-CG 4.17Å; R380-W485 PolarHBondContact NH1-O 3.36Å; R380-Q486 VanDerWaalsContact CZ-O 3.3Å; R380-Q486 PolarHBondContact NH1-O 2.94Å; R380-Q486 PolarHBondContact NH2-O 3.48Å; R380-C501 PolarHBondContact NH2-O 3.2Å
381R75.9Confident86.3Confident178 Ų17841.8 Ų41.867%0.67220%0.202SC*.EExtended strand (participates in β ladder)trans-111.8114.9167.3-69.9-172.4-178.6179.90.1106.3T379 V383 L384 L386T379-R381 HydrophobicContact CG2-CG 4.28Å; R381-V383 PolarHBondContact O-N 3.27Å; R381-V383 VanDerWaalsContact O-N 3.15Å; R381-L384 PolarHBondContact N-O 3.48Å; R381-L384 PolarHBondContact O-N 2.92Å; R381-L386 HydrophobicContact CG-CD1 4.02Å
382D74.8Confident86.4Confident163 Ų16341.9 Ų41.987%0.87220%0.202SC*.THydrogen-bonded Turntrans50.2-115.3-166.9-48.6-48.8000110.6
383V73.7Confident86.3Confident89 Ų8942.3 Ų42.354%0.53921%0.205SC..THydrogen-bonded Turntrans-92-13.5-179.2-1720000112.6R381 P385 W485R381-V383 PolarHBondContact O-N 3.27Å; R381-V383 VanDerWaalsContact O-N 3.15Å; V383-P385 VanDerWaalsContact O-CD 3.23Å; V383-P385 WeakPolarHBondContact O-CD 3.38Å; V383-W485 HydrophobicContact CG1-CE3 3.9Å; V383-W485 HydrophobicContact CG1-CZ3 4.2Å
384L80.1Confident86.1Confident88 Ų8842.3 Ų42.346%0.46121%0.205SC..EExtended strand (participates in β ladder)trans-86.8116.3-171.4-17069.9000112.3R381 L386 W485R381-L384 PolarHBondContact N-O 3.48Å; R381-L384 PolarHBondContact O-N 2.92Å; L384-L386 HydrophobicContact CD2-CD2 3.99Å; L384-L386 HydrophobicContact CG-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.34Å; L384-W485 HydrophobicContact CD1-CZ3 4.5Å
385P84.6Confident85.7Confident1 Ų143 Ų431%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-76118172.531.3-37.1000111.7V377 V383 K388 Q486V377-P385 HydrophobicContact CG1-CB 3.77Å; V377-P385 HydrophobicContact CG2-CB 4.07Å; V383-P385 VanDerWaalsContact O-CD 3.23Å; V383-P385 WeakPolarHBondContact O-CD 3.38Å; P385-K388 HydrophobicContact CG-CD 3.87Å; P385-Q486 HydrophobicContact CB-CB 3.92Å; P385-Q486 HydrophobicContact CB-CG 4.13Å; P385-Q486 HydrophobicContact CG-CB 4.06Å; P385-Q486 HydrophobicContact CG-CG 4.13Å
386L83.8Confident85.4Confident20 Ų2043 Ų4311%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-93.1132.8177.4-56.3174.2000110.9V377 Y378 T379 R381 L384V377-L386 WeakPolarHBondContact CA-O 3.29Å; Y378-L386 WeakPolarHBondContact CD1-O 3.2Å; Y378-L386 VanDerWaalsContact CE1-C 3.43Å; Y378-L386 HydrophobicContact CE1-CB 3.7Å; Y378-L386 VanDerWaalsContact CE1-O 3.28Å; Y378-L386 WeakPolarHBondContact CE1-O 3.42Å; Y378-L386 HydrophobicContact CE2-CB 4.47Å; Y378-L386 PolarHBondContact N-O 2.97Å; T379-L386 WeakPolarHBondContact O-CB 3.39Å; T379-L386 PolarHBondContact O-N 2.65Å; R381-L386 HydrophobicContact CG-CD1 4.02Å; L384-L386 HydrophobicContact CD2-CD2 3.99Å; L384-L386 HydrophobicContact CG-CD2 4.33Å; L384-L386 PolarHBondContact O-N 3.34Å
387G82.2Confident84.7Confident3 Ų344.9 Ų44.93%0.03122%0.224CC..SBendtrans96.3-0.5172.800000116.4T376T376-G387 CarbonylContact C-O 3.19Å; T376-G387 PolarHBondContact N-O 3.23Å; T376-G387 CarbonylContact O-C 3.43Å; T376-G387 WeakPolarHBondContact O-CA 2.92Å; T376-G387 VanDerWaalsContact O-O 3.05Å
388K89.4Confident83.7Confident24 Ų2451.9 Ų51.910%0.10425%0.249CC..  trans-60.1146.7163.672.7-177.6-16987.70110.1V377 P385 I483 T484 Q486 D518V377-K388 HydrophobicContact CG2-CB 4.12Å; P385-K388 HydrophobicContact CG-CD 3.87Å; K388-I483 WeakPolarHBondContact CD-O 3.46Å; K388-I483 WeakPolarHBondContact CE-O 3.45Å; K388-I483 PolarHBondContact NZ-O 3.5Å; K388-T484 VanDerWaalsContact CE-O 3.23Å; K388-T484 WeakPolarHBondContact CE-O 3.23Å; K388-Q486 HydrophobicContact CB-CG 4.24Å; K388-Q486 HydrophobicContact CD-CG 3.92Å; K388-D518 IonicContact NZ-OD1 2.74Å; K388-D518 PolarHBondContact NZ-OD1 2.84Å; K388-D518 IonicContact NZ-OD2 2.75Å; K388-D518 PolarHBondContact NZ-OD2 2.94Å
389F92Very high82.6Confident7 Ų754.1 Ų54.13%0.03127%0.268CS..  trans-145.981.4174.6-168.5-114.3000110.3Y368 L371 H372 V391 C519 V598 V599Y368-F389 HydrophobicContact CD1-CE1 4.06Å; Y368-F389 AromaticContact CD1-CZ 3.84Å; Y368-F389 HydrophobicContact CD1-CZ 3.84Å; Y368-F389 HydrophobicContact CE1-CZ 4.21Å; L371-F389 HydrophobicContact CB-CD1 4.27Å; L371-F389 HydrophobicContact CB-CE1 4.05Å; H372-F389 HydrophobicContact CB-CD1 4.25Å; H372-F389 PolarHBondContact ND1-O 3.12Å; F389-V391 HydrophobicContact CD1-CG2 3.71Å; F389-V391 HydrophobicContact CE1-CG2 3.42Å; F389-V391 VanDerWaalsContact CE1-CG2 3.42Å; F389-V391 HydrophobicContact CZ-CG2 4.15Å; F389-V391 PolarHBondContact O-N 2.75Å; F389-C519 HydrophobicContact CE1-CB 4.39Å; F389-C519 HydrophobicContact CE2-CB 3.72Å; F389-C519 HydrophobicContact CZ-CB 3.57Å; F389-V598 HydrophobicContact CB-CG1 4.02Å; F389-V598 HydrophobicContact CD2-CG1 3.73Å; F389-V598 HydrophobicContact CG-CG1 4.16Å; F389-V599 HydrophobicContact CE2-CG2 3.57Å; F389-V599 HydrophobicContact CZ-CG2 3.71Å
390T93.1Very high81.9Confident2 Ų252.9 Ų52.91%0.01226%0.262CS..  trans-75.6121.7176.1-63.40000110I483 V505 I507 A517 D518 C519T390-I483 HydrophobicContact CG2-CG1 4.5Å; T390-I483 HydrophobicContact CG2-CG2 3.84Å; T390-V505 WeakPolarHBondContact CA-O 3.18Å; T390-V505 HydrophobicContact CG2-CB 4.09Å; T390-V505 HydrophobicContact CG2-CG1 4.3Å; T390-I507 HydrophobicContact CG2-CD1 4.01Å; T390-A517 HydrophobicContact CG2-CB 4.3Å; T390-D518 WeakPolarHBondContact CB-OD2 3.23Å; T390-D518 PolarHBondContact N-OD2 3.07Å; T390-D518 PolarHBondContact O-N 3.3Å; T390-C519 PolarHBondContact O-N 3.28Å
391V94.1Very high81.8Confident4 Ų451.7 Ų51.72%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-105.7131.3178.4171.80000109.9H372 F389 V505 L506 I507 C519 I521H372-V391 HydrophobicContact CB-CB 4.37Å; H372-V391 HydrophobicContact CB-CG2 3.82Å; F389-V391 HydrophobicContact CD1-CG2 3.71Å; F389-V391 HydrophobicContact CE1-CG2 3.42Å; F389-V391 VanDerWaalsContact CE1-CG2 3.42Å; F389-V391 HydrophobicContact CZ-CG2 4.15Å; F389-V391 PolarHBondContact O-N 2.75Å; V391-V505 PolarHBondContact N-O 2.78Å; V391-L506 HydrophobicContact CB-CD1 4.06Å; V391-L506 HydrophobicContact CG1-CD1 4.08Å; V391-I507 PolarHBondContact O-N 3.21Å; V391-C519 CarbonylContact C-O 3.57Å; V391-C519 WeakPolarHBondContact CA-O 3.13Å; V391-C519 HydrophobicContact CG2-CB 4.29Å; V391-I521 HydrophobicContact CG1-CD1 3.81Å
392N94.9Very high82.3Confident3 Ų343.2 Ų43.22%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-101.5113.5162.517525.4000109.6S394 I507 S509 S513 A517 C519 Q520 I521N392-S394 PolarHBondContact O-N 2.96Å; N392-I507 CarbonylContact C-O 3.54Å; N392-I507 WeakPolarHBondContact CA-O 3.12Å; N392-I507 HydrophobicContact CB-CB 4.17Å; N392-I507 PolarHBondContact OD1-O 2.97Å; N392-S509 PolarHBondContact ND2-OG 3.15Å; N392-S509 VanDerWaalsContact ND2-OG 3.13Å; N392-S509 PolarHBondContact OD1-OG 3.31Å; N392-S513 WeakPolarHBondContact ND2-CB 3.47Å; N392-A517 HydrophobicContact CB-CB 3.71Å; N392-C519 PolarHBondContact N-O 2.89Å; N392-Q520 WeakPolarHBondContact O-CA 3.33Å; N392-I521 PolarHBondContact O-N 2.85Å
393L92.7Very high83Confident9 Ų935.8 Ų35.85%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-85.998.2167.6-171.468.5000108.3L359 A365 L406 I507 S509 L523L359-L393 HydrophobicContact CD2-CD2 3.86Å; A365-L393 HydrophobicContact CB-CD1 4.07Å; L393-L406 HydrophobicContact CD2-CD2 3.99Å; L393-I507 PolarHBondContact N-O 3.01Å; L393-S509 PolarHBondContact O-N 2.83Å; L393-L523 HydrophobicContact CD1-CB 3.99Å; L393-L523 HydrophobicContact CD1-CD1 4.33Å; L393-L523 HydrophobicContact CG-CB 4.33Å
394S90.9Very high83.7Confident0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-87.216117363.60000111.5N392 S509 G511 Q520 I521 H522 L523N392-S394 PolarHBondContact O-N 2.96Å; S394-S509 CarbonylContact C-O 3.56Å; S394-S509 VanDerWaalsContact CA-O 3.27Å; S394-S509 WeakPolarHBondContact CA-O 3.3Å; S394-G511 WeakPolarHBondContact CB-O 3.37Å; S394-Q520 PolarHBondContact OG-NE2 3.35Å; S394-I521 PolarHBondContact N-O 2.74Å; S394-I521 PolarHBondContact OG-O 2.89Å; S394-H522 WeakPolarHBondContact O-CA 3.46Å; S394-H522 PolarHBondContact O-ND1 2.9Å; S394-H522 WeakPolarHBondContact OG-CA 3.5Å; S394-H522 PolarHBondContact OG-ND1 3.1Å; S394-L523 WeakPolarHBondContact O-CB 3.41Å; S394-L523 PolarHBondContact O-N 3.48Å
395G84.6Confident84.2Confident17 Ų1730.6 Ų30.618%0.17516%0.161CC..  trans84.115.2-177.300000114.9S509 E510 H522G395-S509 PolarHBondContact N-O 3.4Å; G395-S509 VanDerWaalsContact N-O 3.08Å; G395-E510 VanDerWaalsContact CA-O 3.29Å; G395-E510 WeakPolarHBondContact CA-O 3.33Å; G395-E510 PolarHBondContact N-O 3.01Å; G395-H522 WeakPolarHBondContact CA-CE1 3.49Å; G395-H522 PolarHBondContact N-ND1 3.26Å
396C84.1Confident84.5Confident2 Ų230.7 Ų30.71%0.01416%0.161CC..PPolyproline II helixtrans-65.5133.3173.4-68.10000110.4R398 T403 T461 S509C396-R398 PolarHBondContact O-N 2.79Å; C396-T403 HydrophobicContact CB-CG2 4.18Å; C396-T461 HydrophobicContact CB-CG2 3.76Å; C396-S509 PolarHBondContact N-O 3.38Å; C396-S509 VanDerWaalsContact N-O 3.12Å
397P76.4Confident85Confident54 Ų5431.1 Ų31.135%0.35116%0.161SC..PPolyproline II helixtrans-68.5125.4-175.1-16.729.4000112.2S400P397-S400 WeakPolarHBondContact O-CB 3.45Å; P397-S400 PolarHBondContact O-N 3.36Å; P397-S400 PolarHBondContact O-OG 3.09Å
398R65.4Low85.5Confident167 Ų16735 Ų3563%0.6318%0.175SC*.THydrogen-bonded Turntrans-51.1141.5174.5-81.9-169.1175.9158.714.9111.8C396 S400 E510C396-R398 PolarHBondContact O-N 2.79Å; R398-S400 PolarHBondContact O-N 3.25Å; R398-E510 HydrophobicContact CG-CG 4.3Å; R398-E510 IonicContact CZ-OE1 2.82Å; R398-E510 IonicContact CZ-OE2 2.7Å; R398-E510 IonicContact NE-OE1 2.67Å; R398-E510 PolarHBondContact NE-OE1 3Å; R398-E510 IonicContact NE-OE2 2.81Å; R398-E510 PolarHBondContact NE-OE2 3.06Å; R398-E510 IonicContact NH1-OE1 2.78Å; R398-E510 VanDerWaalsContact NH2-CD 3.3Å; R398-E510 IonicContact NH2-OE1 3.2Å; R398-E510 PolarHBondContact NH2-OE1 2.9Å; R398-E510 VanDerWaalsContact NH2-OE1 3.13Å; R398-E510 IonicContact NH2-OE2 3.77Å; R398-E510 PolarHBondContact NH2-OE2 3.29Å
399N59Low85.6Confident156 Ų15633.9 Ų33.983%0.83417%0.17SC*.THydrogen-bonded Turntrans55.213.2176.2-58.9-10.6000115.3
400S65.4Low85.7Confident33 Ų3333.6 Ų33.623%0.23117%0.169CC..  trans-85.8144.4172.2710000110P397 R398 F402P397-S400 WeakPolarHBondContact O-CB 3.45Å; P397-S400 PolarHBondContact O-N 3.36Å; P397-S400 PolarHBondContact O-OG 3.09Å; R398-S400 PolarHBondContact O-N 3.25Å; S400-F402 PolarHBondContact O-N 2.86Å; S400-F402 WeakPolarHBondContact OG-CB 3.4Å
401T81.5Confident85.7Confident66 Ų6636 Ų3641%0.40518%0.18SC..THydrogen-bonded Turntrans-68.88.5170.254.60000112.6E404 H405T401-E404 PolarHBondContact O-N 3.2Å; T401-H405 PolarHBondContact O-N 3.2Å; T401-H405 PolarHBondContact O-ND1 3.11Å; T401-H405 PolarHBondContact OG1-CE1 3.44Å; T401-H405 PolarHBondContact OG1-ND1 2.92Å
402F86.4Confident85.7Confident0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-60.2-47-175.6176.8-109.1000113A358 L359 L360 S400 E404 H405 L406 L523 M532 M536A358-F402 WeakPolarHBondContact O-CE2 3.34Å; L359-F402 HydrophobicContact CD2-CZ 4.08Å; L360-F402 HydrophobicContact CD1-CD2 4.33Å; L360-F402 HydrophobicContact CD1-CE2 4.07Å; L360-F402 HydrophobicContact CG-CE2 3.95Å; S400-F402 PolarHBondContact O-N 2.86Å; S400-F402 WeakPolarHBondContact OG-CB 3.4Å; F402-E404 VanDerWaalsContact C-N 3.25Å; F402-E404 PolarHBondContact O-N 3.19Å; F402-H405 PolarHBondContact O-N 2.85Å; F402-L406 HydrophobicContact CE1-CD2 4.27Å; F402-L406 HydrophobicContact CZ-CD2 4.44Å; F402-L406 VanDerWaalsContact O-CB 3.31Å; F402-L406 WeakPolarHBondContact O-CB 3.31Å; F402-L406 PolarHBondContact O-N 3.47Å; F402-L523 HydrophobicContact CE1-CD2 3.73Å; F402-L523 HydrophobicContact CZ-CD2 3.89Å; F402-M532 HydrophobicContact CB-CE 3.97Å; F402-M532 HydrophobicContact CD2-CE 3.53Å; F402-M532 HydrophobicContact CE2-CE 4.46Å; F402-M532 HydrophobicContact CG-CE 4.14Å; F402-M536 HydrophobicContact CD2-CE 4.48Å; F402-M536 HydrophobicContact CE2-CE 4.42Å
403T87.9Confident85.6Confident6 Ų638.8 Ų38.84%0.03719%0.193CC..Hα-helixtrans-64.1-33.8-179.257.90000111.4C396 Y407 R419 D459 T461 T508C396-T403 HydrophobicContact CB-CG2 4.18Å; T403-Y407 WeakPolarHBondContact O-CB 3.27Å; T403-Y407 PolarHBondContact O-N 3.13Å; T403-R419 PolarHBondContact OG1-NH2 3.19Å; T403-D459 VanDerWaalsContact CB-OD2 3.26Å; T403-D459 WeakPolarHBondContact CB-OD2 3.19Å; T403-D459 PolarHBondContact OG1-OD2 2.89Å; T403-T461 HydrophobicContact CG2-CG2 4.02Å; T403-T508 HydrophobicContact CG2-CG2 4.36Å
404E90.1Very high85.6Confident64 Ų6438.5 Ų38.530%0.29919%0.191SC..Hα-helixtrans-68-47.4171.9-170.6174.8151.800112.6T401 F402 L406 Y407 R408 R419T401-E404 PolarHBondContact O-N 3.2Å; F402-E404 VanDerWaalsContact C-N 3.25Å; F402-E404 PolarHBondContact O-N 3.19Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 3.01Å; E404-Y407 WeakPolarHBondContact O-CB 3.3Å; E404-Y407 PolarHBondContact O-N 3.01Å; E404-R408 WeakPolarHBondContact O-CG 3.42Å; E404-R408 PolarHBondContact O-N 2.97Å; E404-R408 IonicContact OE1-CZ 2.7Å; E404-R408 IonicContact OE1-NE 3.37Å; E404-R408 PolarHBondContact OE1-NE 3.17Å; E404-R408 IonicContact OE1-NH2 3.08Å; E404-R408 PolarHBondContact OE1-NH2 3.31Å; E404-R419 VanDerWaalsContact CB-NH1 3.35Å; E404-R419 IonicContact OE2-NH1 2.92Å
405H89.4Confident85.7Confident5 Ų539 Ų392%0.02319%0.194CC..Hα-helixtrans-65.1-37.6178.5-73.888.7000112T401 F402 R408 I409 M536T401-H405 PolarHBondContact O-N 3.2Å; T401-H405 PolarHBondContact O-ND1 3.11Å; T401-H405 PolarHBondContact OG1-CE1 3.44Å; T401-H405 PolarHBondContact OG1-ND1 2.92Å; F402-H405 PolarHBondContact O-N 2.85Å; H405-R408 PolarHBondContact O-N 3.04Å; H405-I409 WeakPolarHBondContact O-CG1 3.18Å; H405-I409 PolarHBondContact O-N 3.4Å; H405-M536 HydrophobicContact CB-CB 4.01Å; H405-M536 HydrophobicContact CB-CE 3.72Å; H405-M536 HydrophobicContact CB-CG 3.89Å
406L91.1Very high86.2Confident2 Ų238.3 Ų38.31%0.0119%0.187CC..Hα-helixtrans-61.8-43.4172.3-178.861.3000111L359 L369 L393 F402 E404 I409 I410 T508L359-L406 HydrophobicContact CD2-CD1 3.88Å; L359-L406 HydrophobicContact CD2-CD2 4.15Å; L369-L406 HydrophobicContact CD2-CD1 4.34Å; L393-L406 HydrophobicContact CD2-CD2 3.99Å; F402-L406 HydrophobicContact CE1-CD2 4.27Å; F402-L406 HydrophobicContact CZ-CD2 4.44Å; F402-L406 VanDerWaalsContact O-CB 3.31Å; F402-L406 WeakPolarHBondContact O-CB 3.31Å; F402-L406 PolarHBondContact O-N 3.47Å; E404-L406 VanDerWaalsContact C-N 3.33Å; E404-L406 PolarHBondContact O-N 3.01Å; L406-I409 PolarHBondContact O-N 2.81Å; L406-I410 HydrophobicContact CG-CD1 4.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.26Å; L406-I410 PolarHBondContact O-N 3.35Å; L406-T508 HydrophobicContact CD2-CG2 4.26Å
407Y93.6Very high86.7Confident29 Ų2938.3 Ų38.311%0.11419%0.187CC..Hα-helixtrans-62-44.4173.1173.9-107.3000112.6T403 E404 I409 I410 Q411 S417 F418 R419 V457T403-Y407 WeakPolarHBondContact O-CB 3.27Å; T403-Y407 PolarHBondContact O-N 3.13Å; E404-Y407 WeakPolarHBondContact O-CB 3.3Å; E404-Y407 PolarHBondContact O-N 3.01Å; Y407-I409 VanDerWaalsContact C-N 3.3Å; Y407-I409 PolarHBondContact O-N 3.39Å; Y407-I410 PolarHBondContact O-N 2.79Å; Y407-I410 VanDerWaalsContact O-N 3.13Å; Y407-Q411 WeakPolarHBondContact O-CB 3.2Å; Y407-Q411 PolarHBondContact O-N 3.42Å; Y407-S417 PolarHBondContact OH-O 3.36Å; Y407-S417 PolarHBondContact OH-OG 3.05Å; Y407-F418 WeakPolarHBondContact OH-CA 3.44Å; Y407-R419 HydrophobicContact CD1-CB 3.87Å; Y407-R419 HydrophobicContact CD2-CB 3.7Å; Y407-R419 HydrophobicContact CD2-CG 4.49Å; Y407-R419 HydrophobicContact CE1-CB 3.87Å; Y407-R419 HydrophobicContact CE2-CB 3.69Å; Y407-R419 HydrophobicContact CG-CB 3.77Å; Y407-R419 HydrophobicContact CG-CG 4.31Å; Y407-V457 HydrophobicContact CD2-CB 4Å; Y407-V457 HydrophobicContact CD2-CG2 3.83Å; Y407-V457 HydrophobicContact CE2-CG2 4.43Å
408R92.8Very high87.6Confident86 Ų8637.2 Ų37.233%0.32518%0.177SC..Hα-helixtrans-57.5-42.5174.6-69.4178.3-172.9-172.23.3111.3E404 H405 Q411 H412E404-R408 WeakPolarHBondContact O-CG 3.42Å; E404-R408 PolarHBondContact O-N 2.97Å; E404-R408 IonicContact OE1-CZ 2.7Å; E404-R408 IonicContact OE1-NE 3.37Å; E404-R408 PolarHBondContact OE1-NE 3.17Å; E404-R408 IonicContact OE1-NH2 3.08Å; E404-R408 PolarHBondContact OE1-NH2 3.31Å; H405-R408 PolarHBondContact O-N 3.04Å; R408-Q411 PolarHBondContact O-N 3.16Å; R408-H412 PolarHBondContact O-CD2 3.24Å; R408-H412 PolarHBondContact O-N 3.28Å
409I92.9Very high89Confident0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-61.6-46.6174.6-70.8173.6000111.2F354 L355 A358 H405 L406 Y407 Q411 H412 L413 M536 L539 L540F354-I409 HydrophobicContact CE1-CG2 3.7Å; F354-I409 HydrophobicContact CZ-CG2 3.97Å; L355-I409 HydrophobicContact CD2-CG2 4.36Å; A358-I409 HydrophobicContact CB-CD1 3.63Å; A358-I409 HydrophobicContact CB-CG2 4.49Å; H405-I409 WeakPolarHBondContact O-CG1 3.18Å; H405-I409 PolarHBondContact O-N 3.4Å; L406-I409 PolarHBondContact O-N 2.81Å; Y407-I409 VanDerWaalsContact C-N 3.3Å; Y407-I409 PolarHBondContact O-N 3.39Å; I409-Q411 VanDerWaalsContact C-N 3.35Å; I409-Q411 PolarHBondContact O-N 2.86Å; I409-H412 PolarHBondContact O-N 3.08Å; I409-L413 HydrophobicContact CG2-CD1 4.1Å; I409-L413 WeakPolarHBondContact O-CG 3.21Å; I409-L413 PolarHBondContact O-N 2.87Å; I409-M536 HydrophobicContact CD1-CE 3.43Å; I409-M536 VanDerWaalsContact CD1-CE 3.43Å; I409-M536 HydrophobicContact CD1-SD 4.08Å; I409-L539 HydrophobicContact CD1-CD2 4.17Å; I409-L540 HydrophobicContact CG1-CD1 4.36Å; I409-L540 HydrophobicContact CG1-CD2 3.95Å; I409-L540 HydrophobicContact CG1-CG 4.15Å
410I93.9Very high90.6Very high1 Ų123.5 Ų23.51%0.00511%0.114CC..Hα-helixtrans-59.5-46.4176.6-68.5165.5000110.4L373 L406 Y407 H412 L413 V414 V457 L506L373-I410 HydrophobicContact CD2-CG2 4.38Å; L406-I410 HydrophobicContact CG-CD1 4.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.26Å; L406-I410 PolarHBondContact O-N 3.35Å; Y407-I410 PolarHBondContact O-N 2.79Å; Y407-I410 VanDerWaalsContact O-N 3.13Å; I410-H412 VanDerWaalsContact C-N 3.26Å; I410-H412 PolarHBondContact O-N 3.4Å; I410-L413 WeakPolarHBondContact O-CA 3.42Å; I410-L413 WeakPolarHBondContact O-CB 3.49Å; I410-L413 PolarHBondContact O-N 2.84Å; I410-V414 HydrophobicContact CG2-CG1 4.17Å; I410-V414 HydrophobicContact CG2-CG2 4.01Å; I410-V414 WeakPolarHBondContact O-CG2 3.44Å; I410-V414 PolarHBondContact O-N 3.45Å; I410-V457 HydrophobicContact CD1-CG2 4.04Å; I410-L506 HydrophobicContact CD1-CD2 3.52Å
411Q93.4Very high91.9Very high53 Ų5325.6 Ų25.625%0.24812%0.12CC..Hα-helixtrans-58.7-33178-172.3177.116.900113S138 W140 Y407 R408 I409S138-Q411 WeakPolarHBondContact CB-O 3.43Å; S138-Q411 PolarHBondContact OG-O 3.23Å; S138-Q411 VanDerWaalsContact OG-O 3.12Å; W140-Q411 PolarHBondContact NE1-O 3.44Å; Y407-Q411 WeakPolarHBondContact O-CB 3.2Å; Y407-Q411 PolarHBondContact O-N 3.42Å; R408-Q411 PolarHBondContact O-N 3.16Å; I409-Q411 VanDerWaalsContact C-N 3.35Å; I409-Q411 PolarHBondContact O-N 2.86Å
412H92.2Very high92.2Very high64 Ų6422.5 Ų22.530%0.29610%0.101SC..Hα-helixtrans-74.5-20.7172.7-74.6-61.5000114.2R408 I409 I410 L540 R552R408-H412 PolarHBondContact O-CD2 3.24Å; R408-H412 PolarHBondContact O-N 3.28Å; I409-H412 PolarHBondContact O-N 3.08Å; I410-H412 VanDerWaalsContact C-N 3.26Å; I410-H412 PolarHBondContact O-N 3.4Å; H412-L540 HydrophobicContact CB-CD2 4.48Å; H412-R552 VanDerWaalsContact O-CZ 3.32Å; H412-R552 PolarHBondContact O-NE 3.01Å; H412-R552 PolarHBondContact O-NH2 2.91Å
413L93.1Very high92.4Very high1 Ų124.1 Ų24.11%0.00511%0.111CC..Hα-helixtrans-96.9-38.1-177.8-68.8174.4000113.8L351 F354 L355 I409 I410 L548 F551 R552 L555L351-L413 HydrophobicContact CD1-CD2 4.41Å; F354-L413 HydrophobicContact CE1-CD1 4.18Å; F354-L413 HydrophobicContact CE1-CD2 4.33Å; L355-L413 HydrophobicContact CD2-CD1 3.93Å; I409-L413 HydrophobicContact CG2-CD1 4.1Å; I409-L413 WeakPolarHBondContact O-CG 3.21Å; I409-L413 PolarHBondContact O-N 2.87Å; I410-L413 WeakPolarHBondContact O-CA 3.42Å; I410-L413 WeakPolarHBondContact O-CB 3.49Å; I410-L413 PolarHBondContact O-N 2.84Å; L413-L548 HydrophobicContact CD2-CD2 4.45Å; L413-F551 HydrophobicContact CD2-CB 3.81Å; L413-F551 HydrophobicContact CD2-CD2 3.89Å; L413-F551 HydrophobicContact CD2-CG 4.33Å; L413-R552 WeakPolarHBondContact O-CG 3.06Å; L413-L555 HydrophobicContact CB-CD1 3.92Å
414V94.6Very high92.4Very high2 Ų226 Ų261%0.01212%0.12CC..SBendtrans-100.6155.5-177.7-51.20000111.5S138 W140 L373 I410 A416S138-V414 PolarHBondContact OG-O 3.31Å; W140-V414 PolarHBondContact NE1-O 3.16Å; L373-V414 HydrophobicContact CD2-CG1 3.82Å; I410-V414 HydrophobicContact CG2-CG1 4.17Å; I410-V414 HydrophobicContact CG2-CG2 4.01Å; I410-V414 WeakPolarHBondContact O-CG2 3.44Å; I410-V414 PolarHBondContact O-N 3.45Å; V414-A416 WeakPolarHBondContact CG2-O 3.28Å
415P92.9Very high92.3Very high10 Ų1029.5 Ų29.57%0.06514%0.136CC..SBendtrans-84.7-23.9-176.334.3-36.8000114.2S138 W140 V141 I318S138-P415 WeakPolarHBondContact CB-O 3.18Å; S138-P415 PolarHBondContact N-O 3.3Å; S138-P415 PolarHBondContact OG-O 2.88Å; W140-P415 HydrophobicContact CH2-CB 4.28Å; W140-P415 HydrophobicContact CZ2-CB 3.9Å; V141-P415 HydrophobicContact CG2-CB 3.68Å; I318-P415 HydrophobicContact CD1-CB 4Å; I318-P415 WeakPolarHBondContact CD1-O 3.42Å; I318-P415 HydrophobicContact CG1-CB 3.95Å; I318-P415 HydrophobicContact CG1-CG 4.27Å
416A94.4Very high92.4Very high4 Ų431.2 Ų31.23%0.03315%0.146CC..BIsolated β-bridgetrans-137.1132.1170.200000110.6G136 I318 V414 T454 S455G136-A416 CarbonylContact O-C 3.6Å; G136-A416 VanDerWaalsContact O-CA 3.3Å; G136-A416 WeakPolarHBondContact O-CA 3.2Å; I318-A416 HydrophobicContact CD1-CB 4.01Å; V414-A416 WeakPolarHBondContact CG2-O 3.28Å; A416-T454 HydrophobicContact CB-CG2 4.31Å; A416-S455 PolarHBondContact O-N 3.38Å
417S95.1Very high92.3Very high2 Ų231.2 Ų31.21%0.01415%0.146CC..EExtended strand (participates in β ladder)trans-150.4148.8178.360.40000112.1G136 Y407 S455G136-S417 PolarHBondContact O-N 2.86Å; Y407-S417 PolarHBondContact OH-O 3.36Å; Y407-S417 PolarHBondContact OH-OG 3.05Å; S417-S455 CarbonylContact C-O 3.29Å; S417-S455 WeakPolarHBondContact CA-O 3.3Å
418F94.9Very high92.1Very high30 Ų3030.8 Ų30.813%0.13215%0.145CC..EExtended strand (participates in β ladder)trans-137.9142.3170.9-177.5-105.5000110.8L231 P232 Y407 L420 L447 S455 L456 V457L231-F418 HydrophobicContact CB-CD2 4.49Å; L231-F418 HydrophobicContact CB-CE2 4.36Å; L231-F418 HydrophobicContact CD1-CB 4.12Å; L231-F418 HydrophobicContact CD1-CD2 3.63Å; L231-F418 HydrophobicContact CD1-CE2 4.29Å; L231-F418 HydrophobicContact CD1-CG 3.95Å; L231-F418 HydrophobicContact CD2-CD1 3.95Å; L231-F418 HydrophobicContact CD2-CD2 3.73Å; L231-F418 HydrophobicContact CD2-CE1 4.01Å; L231-F418 HydrophobicContact CD2-CE2 3.77Å; L231-F418 HydrophobicContact CD2-CG 3.81Å; L231-F418 HydrophobicContact CD2-CZ 3.91Å; L231-F418 HydrophobicContact CG-CD2 4.16Å; L231-F418 HydrophobicContact CG-CE2 4.37Å; P232-F418 HydrophobicContact CG-CZ 4.49Å; Y407-F418 WeakPolarHBondContact OH-CA 3.44Å; F418-L420 HydrophobicContact CD1-CB 4.43Å; F418-L420 HydrophobicContact CE1-CB 4.06Å; F418-L420 HydrophobicContact CE1-CD1 4.47Å; F418-L447 HydrophobicContact CD1-CD2 4.19Å; F418-L447 HydrophobicContact CE1-CD1 3.83Å; F418-L447 HydrophobicContact CE1-CD2 3.81Å; F418-L447 HydrophobicContact CE1-CG 3.96Å; F418-L447 HydrophobicContact CZ-CD1 4.07Å; F418-L447 HydrophobicContact CZ-CG 4.46Å; F418-S455 PolarHBondContact N-O 2.88Å; F418-L456 HydrophobicContact CB-CD1 4.43Å; F418-L456 HydrophobicContact CD1-CD1 3.83Å; F418-V457 PolarHBondContact O-N 3.4Å
419R94.3Very high91.9Very high34 Ų3433.7 Ų33.713%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-107.1112.2173.5-179.2177170.7-1442.4109.9T403 E404 Y407 V457 D459T403-R419 PolarHBondContact OG1-NH2 3.19Å; E404-R419 VanDerWaalsContact CB-NH1 3.35Å; E404-R419 IonicContact OE2-NH1 2.92Å; Y407-R419 HydrophobicContact CD1-CB 3.87Å; Y407-R419 HydrophobicContact CD2-CB 3.7Å; Y407-R419 HydrophobicContact CD2-CG 4.49Å; Y407-R419 HydrophobicContact CE1-CB 3.87Å; Y407-R419 HydrophobicContact CE2-CB 3.69Å; Y407-R419 HydrophobicContact CG-CB 3.77Å; Y407-R419 HydrophobicContact CG-CG 4.31Å; R419-V457 CarbonylContact C-O 3.59Å; R419-V457 VanDerWaalsContact CA-O 3.29Å; R419-V457 WeakPolarHBondContact CA-O 3.49Å; R419-D459 IonicContact CZ-OD2 3.47Å; R419-D459 IonicContact NE-OD2 3.67Å; R419-D459 PolarHBondContact NE-OD2 3.31Å; R419-D459 IonicContact NH2-OD2 3.33Å; R419-D459 PolarHBondContact NH2-OD2 3.08Å
420L93.3Very high91.8Very high2 Ų236.2 Ų36.21%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-90.2119170.1178.562.6000109.3F418 M422 L430 F432 L447 L456 V457 D459 L479F418-L420 HydrophobicContact CD1-CB 4.43Å; F418-L420 HydrophobicContact CE1-CB 4.06Å; F418-L420 HydrophobicContact CE1-CD1 4.47Å; L420-M422 HydrophobicContact CD2-SD 4.09Å; L420-M422 HydrophobicContact CG-SD 4.43Å; L420-L430 HydrophobicContact CD1-CD1 4.33Å; L420-F432 HydrophobicContact CD1-CE1 4Å; L420-F432 HydrophobicContact CD1-CZ 3.79Å; L420-F432 HydrophobicContact CD2-CE1 4.41Å; L420-F432 HydrophobicContact CD2-CE2 3.85Å; L420-F432 HydrophobicContact CD2-CZ 3.61Å; L420-F432 HydrophobicContact CG-CZ 4.29Å; L420-L447 HydrophobicContact CD1-CD1 3.95Å; L420-L447 HydrophobicContact CD1-CD2 4.23Å; L420-L447 HydrophobicContact CD2-CD2 4.44Å; L420-L456 HydrophobicContact CB-CD1 4.27Å; L420-V457 PolarHBondContact N-O 3.32Å; L420-D459 PolarHBondContact O-N 3.17Å; L420-L479 HydrophobicContact CD2-CD1 4Å; L420-L479 HydrophobicContact CD2-CD2 4.04Å
421Q91.8Very high91.6Very high76 Ų7642.1 Ų42.136%0.35520%0.201SC..EExtended strand (participates in β ladder)trans-89.5117.5173.2-63.2177.914.300109.1T423 N426 L462Q421-T423 PolarHBondContact O-N 2.93Å; Q421-N426 WeakPolarHBondContact O-CB 3.48Å; Q421-N426 PolarHBondContact O-ND2 2.94Å; Q421-L462 HydrophobicContact CB-CD1 3.86Å; Q421-L462 HydrophobicContact CG-CD1 3.81Å
422M89.4Confident91.5Very high1 Ų139.6 Ų39.61%0.00519%0.19CC..  trans-80.455.2-177.4-63.8-75.3-66.900112.1L420 M427 I458 D459 E460 L463 L479 L515L420-M422 HydrophobicContact CD2-SD 4.09Å; L420-M422 HydrophobicContact CG-SD 4.43Å; M422-M427 HydrophobicContact CE-CE 3.83Å; M422-M427 HydrophobicContact CE-CG 4.28Å; M422-M427 HydrophobicContact CE-SD 3.65Å; M422-M427 HydrophobicContact SD-CE 4.25Å; M422-M427 HydrophobicContact SD-CG 4.46Å; M422-M427 HydrophobicContact SD-SD 3.45Å; M422-I458 HydrophobicContact CG-CG2 3.36Å; M422-I458 HydrophobicContact SD-CG2 3.66Å; M422-D459 WeakPolarHBondContact CB-O 3.31Å; M422-D459 PolarHBondContact N-O 2.93Å; M422-E460 HydrophobicContact CG-CG 4.16Å; M422-L463 HydrophobicContact CB-CB 4.47Å; M422-L463 WeakPolarHBondContact O-CA 3.4Å; M422-L463 WeakPolarHBondContact O-CB 3.47Å; M422-L463 VanDerWaalsContact O-CD1 3.26Å; M422-L463 WeakPolarHBondContact O-CD1 3.28Å; M422-L479 HydrophobicContact CE-CD1 4.03Å; M422-L479 HydrophobicContact SD-CD1 3.7Å; M422-L515 HydrophobicContact CE-CD1 4.47Å
423T89.4Confident91.4Very high34 Ų3438.5 Ų38.521%0.20919%0.185CC..  trans-79.7153169.566.80000110.1Q421 E425 N426 M427 L462Q421-T423 PolarHBondContact O-N 2.93Å; T423-E425 PolarHBondContact O-N 2.87Å; T423-N426 PolarHBondContact O-N 2.9Å; T423-N426 WeakPolarHBondContact OG1-CB 3.33Å; T423-N426 PolarHBondContact OG1-N 2.88Å; T423-N426 PolarHBondContact OG1-ND2 2.87Å; T423-M427 VanDerWaalsContact O-CG 3.32Å; T423-M427 WeakPolarHBondContact O-CG 3.47Å; T423-M427 PolarHBondContact O-N 3.01Å; T423-L462 HydrophobicContact CG2-CB 4.1Å
424I88.4Confident91.4Very high45 Ų4538.4 Ų38.423%0.23119%0.185CC..Hα-helixtrans-58.2-40.6178.1-61.4157.3000110.7M427 N428 E464I424-M427 PolarHBondContact O-N 2.81Å; I424-N428 PolarHBondContact O-N 3.16Å; I424-E464 HydrophobicContact CD1-CB 4.28Å
425E88.6Confident91.2Very high138 Ų13840.9 Ų40.965%0.64520%0.196SC*.Hα-helixtrans-58.6-51.6175.9-171.4-178178.900111.8T423 M427 N428 H429T423-E425 PolarHBondContact O-N 2.87Å; E425-M427 VanDerWaalsContact C-N 3.31Å; E425-M427 PolarHBondContact O-N 2.91Å; E425-N428 PolarHBondContact O-N 3.42Å; E425-H429 WeakPolarHBondContact O-CB 3.42Å; E425-H429 PolarHBondContact O-CD2 2.85Å; E425-H429 VanDerWaalsContact O-CD2 3.27Å; E425-H429 PolarHBondContact O-N 2.92Å
426N90.1Very high91.1Very high42 Ų4241.6 Ų41.623%0.22520%0.198CC..Hα-helixtrans-61-41.4177.8-76.4-15.6000111.6Q421 T423 L430Q421-N426 WeakPolarHBondContact O-CB 3.48Å; Q421-N426 PolarHBondContact O-ND2 2.94Å; T423-N426 PolarHBondContact O-N 2.9Å; T423-N426 WeakPolarHBondContact OG1-CB 3.33Å; T423-N426 PolarHBondContact OG1-N 2.88Å; T423-N426 PolarHBondContact OG1-ND2 2.87Å; N426-L430 HydrophobicContact CB-CD1 3.74Å; N426-L430 HydrophobicContact CB-CG 4.33Å; N426-L430 WeakPolarHBondContact O-CB 3.37Å; N426-L430 VanDerWaalsContact O-CG 3.25Å; N426-L430 WeakPolarHBondContact O-CG 3.39Å; N426-L430 PolarHBondContact O-N 2.87Å
427M89.5Confident90.8Very high1 Ų142.9 Ų42.91%0.00521%0.205CC..Hα-helixtrans-67.9-36.2-178.8-68.4-54.2-63.300112.9M422 T423 I424 E425 F432 L468 G472 N475 V476 L479M422-M427 HydrophobicContact CE-CE 3.83Å; M422-M427 HydrophobicContact CE-CG 4.28Å; M422-M427 HydrophobicContact CE-SD 3.65Å; M422-M427 HydrophobicContact SD-CE 4.25Å; M422-M427 HydrophobicContact SD-CG 4.46Å; M422-M427 HydrophobicContact SD-SD 3.45Å; T423-M427 VanDerWaalsContact O-CG 3.32Å; T423-M427 WeakPolarHBondContact O-CG 3.47Å; T423-M427 PolarHBondContact O-N 3.01Å; I424-M427 PolarHBondContact O-N 2.81Å; E425-M427 VanDerWaalsContact C-N 3.31Å; E425-M427 PolarHBondContact O-N 2.91Å; M427-F432 HydrophobicContact CE-CE2 3.78Å; M427-F432 HydrophobicContact CE-CZ 4.11Å; M427-F432 HydrophobicContact SD-CE2 3.83Å; M427-F432 HydrophobicContact SD-CZ 3.58Å; M427-F432 VanDerWaalsContact SD-CZ 3.58Å; M427-L468 HydrophobicContact CB-CD2 3.69Å; M427-L468 HydrophobicContact CG-CD2 4.37Å; M427-G472 VanDerWaalsContact O-CA 3.27Å; M427-G472 WeakPolarHBondContact O-CA 3.24Å; M427-N475 HydrophobicContact CE-CB 3.8Å; M427-N475 PolarHBondContact O-ND2 2.8Å; M427-V476 HydrophobicContact CE-CB 4.46Å; M427-V476 HydrophobicContact CE-CG2 3.5Å; M427-V476 VanDerWaalsContact CE-CG2 3.5Å; M427-L479 HydrophobicContact CE-CD1 4.39Å
428N90.1Very high90.3Very high20 Ų2048.3 Ų48.311%0.10723%0.226CC..Hα-helixtrans-86.2-27.2-179.4-66.3-7000113.3I424 E425 Q467 D469 G472I424-N428 PolarHBondContact O-N 3.16Å; E425-N428 PolarHBondContact O-N 3.42Å; N428-Q467 PolarHBondContact ND2-O 3.35Å; N428-D469 HydrophobicContact CB-CB 4.47Å; N428-D469 PolarHBondContact ND2-N 3.02Å; N428-D469 PolarHBondContact ND2-OD2 2.91Å; N428-D469 PolarHBondContact OD1-N 2.91Å; N428-D469 VanDerWaalsContact OD1-N 3.1Å; N428-G472 WeakPolarHBondContact OD1-CA 3.45Å
429H88.6Confident89.8Confident147 Ų14750.4 Ų50.468%0.68124%0.241SC*.Hα-helixtrans-102.8-27.6-175.1-67.2-62.1000116.1E425E425-H429 WeakPolarHBondContact O-CB 3.42Å; E425-H429 PolarHBondContact O-CD2 2.85Å; E425-H429 VanDerWaalsContact O-CD2 3.27Å; E425-H429 PolarHBondContact O-N 2.92Å
430L89.6Confident89.2Confident53 Ų5348.9 Ų48.928%0.27724%0.236SC..SBendtrans-77.5145.5-180-61.9175.7000111.4L420 N426 F432 L447 N475L420-L430 HydrophobicContact CD1-CD1 4.33Å; N426-L430 HydrophobicContact CB-CD1 3.74Å; N426-L430 HydrophobicContact CB-CG 4.33Å; N426-L430 WeakPolarHBondContact O-CB 3.37Å; N426-L430 VanDerWaalsContact O-CG 3.25Å; N426-L430 WeakPolarHBondContact O-CG 3.39Å; N426-L430 PolarHBondContact O-N 2.87Å; L430-F432 HydrophobicContact CB-CD1 4.07Å; L430-F432 HydrophobicContact CB-CE1 3.73Å; L430-F432 HydrophobicContact CD1-CE1 4.17Å; L430-L447 HydrophobicContact CD1-CD1 3.96Å; L430-N475 PolarHBondContact O-ND2 2.63Å
431K89.6Confident88.8Confident126 Ų12650.2 Ų50.255%0.54824%0.243SC..  trans-93111.1172.4-61.1-176.4-176.9-177.30109.1G446 L447K431-G446 CarbonylContact O-C 3.57Å; K431-G446 WeakPolarHBondContact O-CA 3.15Å; K431-L447 PolarHBondContact O-N 3.06Å
432F91Very high88.6Confident0 Ų049.5 Ų49.50%024%0.237CC..  trans-87.4-40.4179-73.59.1000112.5L420 M427 L430 G446 L447 L448 N475 L479L420-F432 HydrophobicContact CD1-CE1 4Å; L420-F432 HydrophobicContact CD1-CZ 3.79Å; L420-F432 HydrophobicContact CD2-CE1 4.41Å; L420-F432 HydrophobicContact CD2-CE2 3.85Å; L420-F432 HydrophobicContact CD2-CZ 3.61Å; L420-F432 HydrophobicContact CG-CZ 4.29Å; M427-F432 HydrophobicContact CE-CE2 3.78Å; M427-F432 HydrophobicContact CE-CZ 4.11Å; M427-F432 HydrophobicContact SD-CE2 3.83Å; M427-F432 HydrophobicContact SD-CZ 3.58Å; M427-F432 VanDerWaalsContact SD-CZ 3.58Å; L430-F432 HydrophobicContact CB-CD1 4.07Å; L430-F432 HydrophobicContact CB-CE1 3.73Å; L430-F432 HydrophobicContact CD1-CE1 4.17Å; F432-G446 CarbonylContact O-C 3.59Å; F432-L447 HydrophobicContact CD1-CB 3.97Å; F432-L447 HydrophobicContact CD1-CD1 4.31Å; F432-L447 HydrophobicContact CD1-CD2 4.45Å; F432-L447 HydrophobicContact CD1-CG 4.49Å; F432-L447 HydrophobicContact CE1-CD1 4.1Å; F432-L447 HydrophobicContact CE1-CD2 4.5Å; F432-L447 PolarHBondContact O-N 2.87Å; F432-L448 HydrophobicContact CB-CD1 3.94Å; F432-L448 HydrophobicContact CB-CG 3.91Å; F432-L448 HydrophobicContact CD2-CD1 4.46Å; F432-L448 HydrophobicContact CG-CG 4.43Å; F432-L448 WeakPolarHBondContact O-CB 3.32Å; F432-L448 PolarHBondContact O-N 3.46Å; F432-N475 VanDerWaalsContact CB-OD1 3.29Å; F432-N475 WeakPolarHBondContact CB-OD1 3.48Å; F432-N475 HydrophobicContact CD2-CB 3.55Å; F432-N475 WeakPolarHBondContact CD2-O 3.49Å; F432-N475 HydrophobicContact CE2-CB 3.76Å; F432-N475 HydrophobicContact CG-CB 4Å; F432-N475 WeakPolarHBondContact CG-OD1 3.33Å; F432-N475 HydrophobicContact CZ-CB 4.37Å; F432-N475 PolarHBondContact N-OD1 3.14Å; F432-L479 HydrophobicContact CD2-CD1 4.44Å; F432-L479 HydrophobicContact CD2-CD2 4.27Å; F432-L479 HydrophobicContact CD2-CG 4.01Å; F432-L479 HydrophobicContact CE2-CD1 3.76Å; F432-L479 HydrophobicContact CE2-CD2 4.18Å; F432-L479 HydrophobicContact CE2-CG 3.83Å
433I91.5Very high88.6Confident40 Ų4049.7 Ų49.721%0.20524%0.238CC..SBendtrans-89.6131.3179.4-71.7171.9000109.6A478 D489 D491I433-A478 HydrophobicContact CD1-CB 3.75Å; I433-A478 HydrophobicContact CG1-CB 3.79Å; I433-D489 WeakPolarHBondContact CG2-O 3.46Å; I433-D491 HydrophobicContact CG2-CB 4.13Å
434P91.9Very high88.6Confident0 Ų048.8 Ų48.80%023%0.233CC..  trans-65.1143.1167.6-22.335.8000111.8L443 V444 Q449 Y490 D491P434-L443 HydrophobicContact CB-CD1 4.01Å; P434-L443 HydrophobicContact CB-CD2 4.2Å; P434-L443 HydrophobicContact CB-CG 4.06Å; P434-V444 CarbonylContact C-O 3.57Å; P434-V444 WeakPolarHBondContact CA-O 3.01Å; P434-V444 WeakPolarHBondContact CB-O 3.44Å; P434-Q449 HydrophobicContact CG-CB 3.97Å; P434-Q449 HydrophobicContact CG-CG 4.44Å; P434-Y490 HydrophobicContact CB-CD1 4.32Å; P434-Y490 HydrophobicContact CB-CD2 4.11Å; P434-Y490 HydrophobicContact CB-CE1 4.36Å; P434-Y490 HydrophobicContact CB-CE2 4.18Å; P434-Y490 HydrophobicContact CB-CG 4.19Å; P434-Y490 HydrophobicContact CG-CD1 3.97Å; P434-Y490 HydrophobicContact CG-CD2 4.39Å; P434-Y490 HydrophobicContact CG-CE1 3.65Å; P434-Y490 HydrophobicContact CG-CE2 4.12Å; P434-Y490 HydrophobicContact CG-CG 4.33Å; P434-D491 PolarHBondContact O-N 3.27Å
435H91.5Very high88.6Confident54 Ų5447.3 Ų47.325%0.2523%0.226CC..EExtended strand (participates in β ladder)trans-129.4143.9176.671.2-70.9000112.1D437 V444 D491H435-D437 PolarHBondContact O-N 2.94Å; H435-V444 WeakPolarHBondContact CE1-CB 3.47Å; H435-V444 VanDerWaalsContact CE1-CG1 3.43Å; H435-V444 WeakPolarHBondContact CE1-CG1 2.48Å; H435-V444 PolarHBondContact N-O 3Å; H435-V444 PolarHBondContact O-N 3.41Å; H435-D491 CarbonylContact C-O 3.51Å; H435-D491 WeakPolarHBondContact CA-O 3.12Å; H435-D491 HydrophobicContact CB-CB 4.06Å
436K90.1Very high88.7Confident25 Ų2540.8 Ų40.811%0.10920%0.196CC..EExtended strand (participates in β ladder)trans-77.6116173.5-174.372178.3-178.30109.2Y438 N441 D491 F492K436-Y438 HydrophobicContact CB-CE2 4.34Å; K436-Y438 HydrophobicContact CG-CD1 4.43Å; K436-Y438 HydrophobicContact CG-CD2 4.49Å; K436-Y438 HydrophobicContact CG-CE1 4.18Å; K436-Y438 HydrophobicContact CG-CE2 4.25Å; K436-N441 WeakPolarHBondContact CE-OD1 3.5Å; K436-N441 PolarHBondContact NZ-O 2.92Å; K436-N441 PolarHBondContact NZ-OD1 3.08Å; K436-D491 PolarHBondContact N-O 3.41Å; K436-F492 HydrophobicContact CB-CD1 3.49Å; K436-F492 VanDerWaalsContact CB-CD1 3.49Å; K436-F492 HydrophobicContact CB-CE1 3.88Å; K436-F492 HydrophobicContact CB-CG 4.12Å; K436-F492 HydrophobicContact CD-CE1 4.26Å; K436-F492 HydrophobicContact CG-CD1 3.91Å; K436-F492 HydrophobicContact CG-CE1 4.16Å
437D87.7Confident88.8Confident31 Ų3139 Ų3917%0.16619%0.187CC..EExtended strand (participates in β ladder)trans-84.3111.8168.41741000107.9H435 T439 A440 N441 R442 V444H435-D437 PolarHBondContact O-N 2.94Å; D437-T439 PolarHBondContact OD1-N 2.93Å; D437-T439 VanDerWaalsContact OD1-N 3.13Å; D437-T439 PolarHBondContact OD1-OG1 2.88Å; D437-A440 PolarHBondContact OD1-N 2.9Å; D437-N441 CarbonylContact O-C 3.59Å; D437-N441 VanDerWaalsContact O-CA 3.26Å; D437-N441 WeakPolarHBondContact O-CA 3.3Å; D437-N441 PolarHBondContact O-N 3.26Å; D437-N441 VanDerWaalsContact O-N 3.1Å; D437-R442 HydrophobicContact CB-CG 3.93Å; D437-R442 WeakPolarHBondContact CB-O 3.46Å; D437-R442 PolarHBondContact N-O 3.12Å; D437-R442 PolarHBondContact O-N 3.18Å; D437-R442 IonicContact OD2-CZ 2.65Å; D437-R442 IonicContact OD2-NE 3.98Å; D437-R442 PolarHBondContact OD2-NE 2.92Å; D437-R442 VanDerWaalsContact OD2-NE 3.09Å; D437-R442 IonicContact OD2-NH2 3.92Å; D437-R442 PolarHBondContact OD2-NH2 3.33Å; D437-V444 HydrophobicContact CB-CG2 3.68Å
438Y85.9Confident88.9Confident115 Ų11539.1 Ų39.145%0.45119%0.187SC..THydrogen-bonded Turntrans-84-13-176.4-75.6-78.9000113.9K436 F492 Y494K436-Y438 HydrophobicContact CB-CE2 4.34Å; K436-Y438 HydrophobicContact CG-CD1 4.43Å; K436-Y438 HydrophobicContact CG-CD2 4.49Å; K436-Y438 HydrophobicContact CG-CE1 4.18Å; K436-Y438 HydrophobicContact CG-CE2 4.25Å; Y438-F492 WeakPolarHBondContact CE2-O 3.39Å; Y438-F492 PolarHBondContact OH-O 2.84Å; Y438-Y494 HydrophobicContact CE2-CD2 4.49Å
439T84.1Confident89Confident74 Ų7438.2 Ų38.245%0.45418%0.182SC..THydrogen-bonded Turntrans-83.8-37.6176.671.40000111T290 E292 D437T290-T439 PolarHBondContact OG1-O 2.87Å; E292-T439 WeakPolarHBondContact OE2-CB 3.41Å; E292-T439 PolarHBondContact OE2-OG1 3.11Å; D437-T439 PolarHBondContact OD1-N 2.93Å; D437-T439 VanDerWaalsContact OD1-N 3.13Å; D437-T439 PolarHBondContact OD1-OG1 2.88Å
440A80.8Confident89.2Confident3 Ų331.4 Ų31.43%0.02515%0.151CC..THydrogen-bonded Turntrans-100.511.317600000114E292 V296 D437 R442E292-A440 HydrophobicContact CB-CB 4.22Å; V296-A440 HydrophobicContact CG2-CB 4.16Å; D437-A440 PolarHBondContact OD1-N 2.9Å; A440-R442 VanDerWaalsContact C-N 3.25Å; A440-R442 HydrophobicContact CB-CG 4.05Å; A440-R442 PolarHBondContact O-N 2.75Å; A440-R442 VanDerWaalsContact O-N 3.09Å
441N84.9Confident89.3Confident30 Ų3029 Ų2916%0.1614%0.138CC..THydrogen-bonded Turntrans41.343-178.3-167.511.5000115.2D77 E293 H297 K436 D437D77-N441 PolarHBondContact OD2-ND2 3.34Å; E293-N441 HydrophobicContact CG-CB 3.93Å; E293-N441 WeakPolarHBondContact OE1-CB 3.44Å; E293-N441 PolarHBondContact OE1-ND2 3.26Å; H297-N441 PolarHBondContact NE2-O 2.96Å; K436-N441 WeakPolarHBondContact CE-OD1 3.5Å; K436-N441 PolarHBondContact NZ-O 2.92Å; K436-N441 PolarHBondContact NZ-OD1 3.08Å; D437-N441 CarbonylContact O-C 3.59Å; D437-N441 VanDerWaalsContact O-CA 3.26Å; D437-N441 WeakPolarHBondContact O-CA 3.3Å; D437-N441 PolarHBondContact O-N 3.26Å; D437-N441 VanDerWaalsContact O-N 3.1Å
442R87.2Confident89.4Confident60 Ų6025.7 Ų25.723%0.22613%0.131CC..EExtended strand (participates in β ladder)trans-130.8149.8-172.868.5-174.3178157.7-0.2113.2V296 D437 A440 V444V296-R442 HydrophobicContact CG1-CB 4.03Å; D437-R442 HydrophobicContact CB-CG 3.93Å; D437-R442 WeakPolarHBondContact CB-O 3.46Å; D437-R442 PolarHBondContact N-O 3.12Å; D437-R442 PolarHBondContact O-N 3.18Å; D437-R442 IonicContact OD2-CZ 2.65Å; D437-R442 IonicContact OD2-NE 3.98Å; D437-R442 PolarHBondContact OD2-NE 2.92Å; D437-R442 VanDerWaalsContact OD2-NE 3.09Å; D437-R442 IonicContact OD2-NH2 3.92Å; D437-R442 PolarHBondContact OD2-NH2 3.33Å; A440-R442 VanDerWaalsContact C-N 3.25Å; A440-R442 HydrophobicContact CB-CG 4.05Å; A440-R442 PolarHBondContact O-N 2.75Å; A440-R442 VanDerWaalsContact O-N 3.09Å; R442-V444 HydrophobicContact CG-CG2 4.21Å; R442-V444 PolarHBondContact O-N 2.92Å
443L89.3Confident89.4Confident5 Ų526.7 Ų26.73%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-80.5104.2167.3-171.672.8000109.2D74 N228 P434 S445 Y490D74-L443 HydrophobicContact CB-CB 4.16Å; D74-L443 VanDerWaalsContact CG-CB 3.44Å; D74-L443 WeakPolarHBondContact OD1-CB 3.42Å; D74-L443 WeakPolarHBondContact OD2-CB 3.38Å; D74-L443 PolarHBondContact OD2-N 2.79Å; N228-L443 PolarHBondContact ND2-O 3.26Å; P434-L443 HydrophobicContact CB-CD1 4.01Å; P434-L443 HydrophobicContact CB-CD2 4.2Å; P434-L443 HydrophobicContact CB-CG 4.06Å; L443-S445 PolarHBondContact O-N 3.5Å; L443-Y490 HydrophobicContact CD1-CD2 4.06Å; L443-Y490 HydrophobicContact CD2-CD2 3.84Å; L443-Y490 HydrophobicContact CD2-CE2 3.62Å
444V89.7Confident89.5Confident16 Ų1624.8 Ų24.810%0.09713%0.127CC..EExtended strand (participates in β ladder)trans-72126.7170.3178.20000108.3N228 P434 H435 D437 R442N228-V444 WeakPolarHBondContact OD1-CA 3.49Å; P434-V444 CarbonylContact C-O 3.57Å; P434-V444 WeakPolarHBondContact CA-O 3.01Å; P434-V444 WeakPolarHBondContact CB-O 3.44Å; H435-V444 WeakPolarHBondContact CE1-CB 3.47Å; H435-V444 VanDerWaalsContact CE1-CG1 3.43Å; H435-V444 WeakPolarHBondContact CE1-CG1 2.48Å; H435-V444 PolarHBondContact N-O 3Å; H435-V444 PolarHBondContact O-N 3.41Å; D437-V444 HydrophobicContact CB-CG2 3.68Å; R442-V444 HydrophobicContact CG-CG2 4.21Å; R442-V444 PolarHBondContact O-N 2.92Å
445S90.1Very high89.6Confident13 Ų1324.8 Ų24.89%0.09113%0.127CC..  trans-66.6160.8-172.969.10000113.1Q73 N228 F229 L443Q73-S445 VanDerWaalsContact NE2-CB 3.29Å; N228-S445 VanDerWaalsContact O-CB 3.3Å; N228-S445 WeakPolarHBondContact O-CB 3.46Å; N228-S445 PolarHBondContact O-OG 3.12Å; N228-S445 WeakPolarHBondContact OD1-CB 3.2Å; N228-S445 PolarHBondContact OD1-N 3.29Å; N228-S445 PolarHBondContact OD1-OG 3.26Å; N228-S445 VanDerWaalsContact OD1-OG 3.11Å; F229-S445 PolarHBondContact O-OG 3.22Å; L443-S445 PolarHBondContact O-N 3.5Å
446G90.4Very high89.8Confident2 Ų222.2 Ų22.22%0.02112%0.115CC..  trans-136.8156172.900000110.3K431 F432 L448 Q449K431-G446 CarbonylContact O-C 3.57Å; K431-G446 WeakPolarHBondContact O-CA 3.15Å; F432-G446 CarbonylContact O-C 3.59Å; G446-L448 PolarHBondContact O-N 3.36Å; G446-Q449 WeakPolarHBondContact O-CB 3.43Å; G446-Q449 PolarHBondContact O-N 2.83Å
447L91Very high90.1Very high5 Ų521.1 Ų21.13%0.02611%0.11CC..THydrogen-bonded Turntrans-56.3-26.3-175.1-171.9149.6000113.9P230 L231 F418 L420 L430 K431 F432 Q449 L450P230-L447 WeakPolarHBondContact O-CA 3.21Å; L231-L447 HydrophobicContact CD2-CG 3.89Å; F418-L447 HydrophobicContact CD1-CD2 4.19Å; F418-L447 HydrophobicContact CE1-CD1 3.83Å; F418-L447 HydrophobicContact CE1-CD2 3.81Å; F418-L447 HydrophobicContact CE1-CG 3.96Å; F418-L447 HydrophobicContact CZ-CD1 4.07Å; F418-L447 HydrophobicContact CZ-CG 4.46Å; L420-L447 HydrophobicContact CD1-CD1 3.95Å; L420-L447 HydrophobicContact CD1-CD2 4.23Å; L420-L447 HydrophobicContact CD2-CD2 4.44Å; L430-L447 HydrophobicContact CD1-CD1 3.96Å; K431-L447 PolarHBondContact O-N 3.06Å; F432-L447 HydrophobicContact CD1-CB 3.97Å; F432-L447 HydrophobicContact CD1-CD1 4.31Å; F432-L447 HydrophobicContact CD1-CD2 4.45Å; F432-L447 HydrophobicContact CD1-CG 4.49Å; F432-L447 HydrophobicContact CE1-CD1 4.1Å; F432-L447 HydrophobicContact CE1-CD2 4.5Å; F432-L447 PolarHBondContact O-N 2.87Å; L447-Q449 VanDerWaalsContact C-N 3.33Å; L447-L450 WeakPolarHBondContact O-CG 3.41Å
448L92.1Very high90.4Very high3 Ų319.7 Ų19.72%0.01610%0.103CC..THydrogen-bonded Turntrans-87.61.4177.9-53-178000113.7F432 G446 L450 L456 A478 L479 L482 V488F432-L448 HydrophobicContact CB-CD1 3.94Å; F432-L448 HydrophobicContact CB-CG 3.91Å; F432-L448 HydrophobicContact CD2-CD1 4.46Å; F432-L448 HydrophobicContact CG-CG 4.43Å; F432-L448 WeakPolarHBondContact O-CB 3.32Å; F432-L448 PolarHBondContact O-N 3.46Å; G446-L448 PolarHBondContact O-N 3.36Å; L448-L450 PolarHBondContact O-N 3.37Å; L448-L456 HydrophobicContact CD2-CD2 4.33Å; L448-A478 HydrophobicContact CD1-CB 3.87Å; L448-L479 HydrophobicContact CD1-CD2 4.39Å; L448-L479 HydrophobicContact CD2-CD2 3.89Å; L448-L482 HydrophobicContact CB-CD1 4.08Å; L448-L482 HydrophobicContact CD1-CD1 4Å; L448-L482 HydrophobicContact CD2-CD1 3.9Å; L448-L482 HydrophobicContact CG-CD1 4.19Å; L448-V488 HydrophobicContact CB-CG1 4.18Å; L448-V488 HydrophobicContact CB-CG2 4Å
449Q92.8Very high90.7Very high0 Ų014.2 Ų14.20%08%0.081CC..  trans-7570170.2-165175.725.800110.3M71 Q73 P230 N253 P434 G446 L447M71-Q449 HydrophobicContact CE-CG 4.08Å; Q73-Q449 PolarHBondContact O-NE2 3.13Å; P230-Q449 HydrophobicContact CB-CB 4.21Å; P230-Q449 HydrophobicContact CG-CB 4.3Å; N253-Q449 WeakPolarHBondContact OD1-CG 3.34Å; N253-Q449 PolarHBondContact OD1-NE2 2.87Å; P434-Q449 HydrophobicContact CG-CB 3.97Å; P434-Q449 HydrophobicContact CG-CG 4.44Å; G446-Q449 WeakPolarHBondContact O-CB 3.43Å; G446-Q449 PolarHBondContact O-N 2.83Å; L447-Q449 VanDerWaalsContact C-N 3.33Å
450L92.5Very high91Very high5 Ų511.4 Ų11.43%0.0266%0.063CC..  trans-111.4147.4-173.3-64.7176.8000112P135 L231 L447 L448 T454 L456 I503P135-L450 HydrophobicContact CB-CD2 4.13Å; L231-L450 HydrophobicContact CD1-CD2 3.87Å; L231-L450 HydrophobicContact CD2-CD2 4.05Å; L231-L450 HydrophobicContact CG-CD2 4.09Å; L447-L450 WeakPolarHBondContact O-CG 3.41Å; L448-L450 PolarHBondContact O-N 3.37Å; L450-T454 HydrophobicContact CB-CG2 4.48Å; L450-T454 HydrophobicContact CD1-CG2 4.23Å; L450-L456 HydrophobicContact CD1-CD1 4.46Å; L450-I503 HydrophobicContact CB-CD1 3.9Å; L450-I503 HydrophobicContact CB-CG1 4.42Å; L450-I503 HydrophobicContact CD1-CD1 4.42Å
451P92.1Very high91.3Very high1 Ų112.2 Ų12.21%0.0067%0.067CC..  trans-67.5155.217722-25.3000111.6M71 V134 I255 T454M71-P451 HydrophobicContact SD-CB 3.99Å; M71-P451 HydrophobicContact SD-CG 4.26Å; V134-P451 HydrophobicContact CG1-CB 4.19Å; V134-P451 HydrophobicContact CG1-CG 3.72Å; I255-P451 HydrophobicContact CD1-CB 3.64Å; I255-P451 HydrophobicContact CG1-CB 3.8Å; P451-T454 WeakPolarHBondContact CD-OG1 3.26Å; P451-T454 WeakPolarHBondContact CG-OG1 3.39Å; P451-T454 WeakPolarHBondContact O-CB 3.4Å; P451-T454 PolarHBondContact O-N 2.96Å; P451-T454 PolarHBondContact O-OG1 3.07Å
452S90.9Very high91.3Very high57 Ų5713.6 Ų13.640%0.3998%0.075SC..THydrogen-bonded Turntrans-59.5140.7177.9-74.50000112.8T454 N502S452-T454 VanDerWaalsContact C-N 3.31Å; S452-N502 CarbonylContact C-O 3.54Å
453N90.6Very high91.1Very high22 Ų2213.7 Ų13.712%0.1188%0.079CC..THydrogen-bonded Turntrans68.217.2-177-45-71.9000115.8T376 N502 R559T376-N453 WeakPolarHBondContact CG2-OD1 3.46Å; N453-N502 PolarHBondContact N-O 3.3Å; N453-N502 PolarHBondContact OD1-ND2 2.73Å; N453-R559 PolarHBondContact O-NH1 3.3Å
454T93.4Very high90.9Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-64.4140.1170.8-59.90000111.1A416 L450 P451 S452 N504A416-T454 HydrophobicContact CB-CG2 4.31Å; L450-T454 HydrophobicContact CB-CG2 4.48Å; L450-T454 HydrophobicContact CD1-CG2 4.23Å; P451-T454 WeakPolarHBondContact CD-OG1 3.26Å; P451-T454 WeakPolarHBondContact CG-OG1 3.39Å; P451-T454 WeakPolarHBondContact O-CB 3.4Å; P451-T454 PolarHBondContact O-N 2.96Å; P451-T454 PolarHBondContact O-OG1 3.07Å; S452-T454 VanDerWaalsContact C-N 3.31Å; T454-N504 PolarHBondContact O-N 2.77Å
455S95.1Very high90.4Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-91.8105.2173.7-167.10000110.5A416 S417 F418 N504A416-S455 PolarHBondContact O-N 3.38Å; S417-S455 CarbonylContact C-O 3.29Å; S417-S455 WeakPolarHBondContact CA-O 3.3Å; F418-S455 PolarHBondContact N-O 2.88Å; S455-N504 CarbonylContact C-O 3.4Å; S455-N504 WeakPolarHBondContact CA-O 3.23Å
456L96.1Very high90Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-92.7112.7176.2179.361.5000109.2F418 L420 L448 L450 I458 L482 I503 N504 V505 L506F418-L456 HydrophobicContact CB-CD1 4.43Å; F418-L456 HydrophobicContact CD1-CD1 3.83Å; L420-L456 HydrophobicContact CB-CD1 4.27Å; L448-L456 HydrophobicContact CD2-CD2 4.33Å; L450-L456 HydrophobicContact CD1-CD1 4.46Å; L456-I458 HydrophobicContact CD2-CD1 4.31Å; L456-I458 HydrophobicContact CD2-CG1 4.32Å; L456-I458 HydrophobicContact CG-CG1 4.05Å; L456-L482 HydrophobicContact CD2-CD2 4.47Å; L456-I503 HydrophobicContact CB-CG2 3.74Å; L456-I503 HydrophobicContact CD2-CG2 4.36Å; L456-N504 PolarHBondContact N-O 2.7Å; L456-V505 HydrophobicContact CB-CG2 4.47Å; L456-V505 HydrophobicContact CD2-CG2 4.32Å; L456-V505 WeakPolarHBondContact O-CA 3.24Å; L456-L506 PolarHBondContact O-N 2.82Å
457V95.4Very high89.7Confident2 Ų239.7 Ų39.71%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-99114174.8-176.90000108.8Y407 I410 F418 R419 L420 L506Y407-V457 HydrophobicContact CD2-CB 4Å; Y407-V457 HydrophobicContact CD2-CG2 3.83Å; Y407-V457 HydrophobicContact CE2-CG2 4.43Å; I410-V457 HydrophobicContact CD1-CG2 4.04Å; F418-V457 PolarHBondContact O-N 3.4Å; R419-V457 CarbonylContact C-O 3.59Å; R419-V457 VanDerWaalsContact CA-O 3.29Å; R419-V457 WeakPolarHBondContact CA-O 3.49Å; L420-V457 PolarHBondContact N-O 3.32Å; V457-L506 CarbonylContact C-O 3.48Å; V457-L506 WeakPolarHBondContact CA-O 3.25Å; V457-L506 HydrophobicContact CG1-CD2 4.45Å; V457-L506 HydrophobicContact CG2-CB 4.39Å; V457-L506 HydrophobicContact CG2-CD2 4.31Å
458I94.9Very high89.6Confident0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-99117.5178.9-55.6-179.9000108.4M422 L456 E460 L479 I483 V505 L506 I507 T508 L515M422-I458 HydrophobicContact CG-CG2 3.36Å; M422-I458 HydrophobicContact SD-CG2 3.66Å; L456-I458 HydrophobicContact CD2-CD1 4.31Å; L456-I458 HydrophobicContact CD2-CG1 4.32Å; L456-I458 HydrophobicContact CG-CG1 4.05Å; I458-E460 HydrophobicContact CG2-CG 4.41Å; I458-L479 HydrophobicContact CD1-CD1 4.35Å; I458-L479 HydrophobicContact CD1-CD2 4.01Å; I458-I483 HydrophobicContact CD1-CD1 4.41Å; I458-V505 HydrophobicContact CD1-CG1 3.49Å; I458-V505 VanDerWaalsContact CD1-CG1 3.49Å; I458-V505 HydrophobicContact CG1-CG1 3.96Å; I458-L506 PolarHBondContact N-O 2.78Å; I458-I507 HydrophobicContact CB-CG1 4.34Å; I458-I507 CarbonylContact O-C 3.56Å; I458-I507 WeakPolarHBondContact O-CA 3.41Å; I458-T508 PolarHBondContact O-N 2.92Å; I458-L515 HydrophobicContact CD1-CD1 3.71Å; I458-L515 HydrophobicContact CG2-CD1 3.84Å
459D92.1Very high89.5Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-99.696.8-179.7-166-9.2000111.1T403 R419 L420 M422 T461 T508T403-D459 VanDerWaalsContact CB-OD2 3.26Å; T403-D459 WeakPolarHBondContact CB-OD2 3.19Å; T403-D459 PolarHBondContact OG1-OD2 2.89Å; R419-D459 IonicContact CZ-OD2 3.47Å; R419-D459 IonicContact NE-OD2 3.67Å; R419-D459 PolarHBondContact NE-OD2 3.31Å; R419-D459 IonicContact NH2-OD2 3.33Å; R419-D459 PolarHBondContact NH2-OD2 3.08Å; L420-D459 PolarHBondContact O-N 3.17Å; M422-D459 WeakPolarHBondContact CB-O 3.31Å; M422-D459 PolarHBondContact N-O 2.93Å; D459-T461 VanDerWaalsContact C-N 3.34Å; D459-T461 WeakPolarHBondContact OD1-CB 3.27Å; D459-T461 PolarHBondContact OD1-N 2.91Å; D459-T461 PolarHBondContact OD1-OG1 3.16Å; D459-T508 WeakPolarHBondContact CA-OG1 3.35Å; D459-T508 PolarHBondContact OD1-OG1 2.91Å
460E90.6Very high89.4Confident15 Ų1551.2 Ų51.27%0.0728%0.278CS..G310 helixtrans-82.4-6.2173.8-67.7-175.8165.600113.1M422 I458 L462 L463 I507 T508 S509 S513 L514 L515M422-E460 HydrophobicContact CG-CG 4.16Å; I458-E460 HydrophobicContact CG2-CG 4.41Å; E460-L462 PolarHBondContact O-N 3.46Å; E460-L463 WeakPolarHBondContact O-CB 3.37Å; E460-L463 PolarHBondContact O-N 3.21Å; E460-L463 VanDerWaalsContact O-N 3.13Å; E460-I507 HydrophobicContact CG-CG2 3.98Å; E460-T508 PolarHBondContact N-O 3.31Å; E460-S509 WeakPolarHBondContact OE2-CB 3.46Å; E460-S513 PolarHBondContact OE1-OG 3.17Å; E460-S513 WeakPolarHBondContact OE2-CA 3.33Å; E460-S513 WeakPolarHBondContact OE2-CB 3.34Å; E460-S513 PolarHBondContact OE2-OG 2.98Å; E460-L514 PolarHBondContact OE1-N 3.46Å; E460-L514 PolarHBondContact OE2-N 3.5Å; E460-L515 WeakPolarHBondContact OE1-CG 3.49Å; E460-L515 PolarHBondContact OE1-N 3Å
461T86.4Confident89.2Confident20 Ų2053.9 Ų53.912%0.12330%0.296CS..G310 helixtrans-70-13.8178.570.90000113.3C396 T403 D459C396-T461 HydrophobicContact CB-CG2 3.76Å; T403-T461 HydrophobicContact CG2-CG2 4.02Å; D459-T461 VanDerWaalsContact C-N 3.34Å; D459-T461 WeakPolarHBondContact OD1-CB 3.27Å; D459-T461 PolarHBondContact OD1-N 2.91Å; D459-T461 PolarHBondContact OD1-OG1 3.16Å
462L84.3Confident89Confident60 Ų6053.9 Ų53.931%0.31430%0.295SS..G310 helixtrans-97.54.9176.1-58.1174.2000112.7Q421 T423 E460 E464Q421-L462 HydrophobicContact CB-CD1 3.86Å; Q421-L462 HydrophobicContact CG-CD1 3.81Å; T423-L462 HydrophobicContact CG2-CB 4.1Å; E460-L462 PolarHBondContact O-N 3.46Å; L462-E464 PolarHBondContact O-N 3.47Å
463L84.1Confident89Confident61 Ų6154.8 Ų54.832%0.31930%0.299SS..  trans-82.7107.8179.2-175.866.6000110.2M422 E460 L514M422-L463 HydrophobicContact CB-CB 4.47Å; M422-L463 WeakPolarHBondContact O-CA 3.4Å; M422-L463 WeakPolarHBondContact O-CB 3.47Å; M422-L463 VanDerWaalsContact O-CD1 3.26Å; M422-L463 WeakPolarHBondContact O-CD1 3.28Å; E460-L463 WeakPolarHBondContact O-CB 3.37Å; E460-L463 PolarHBondContact O-N 3.21Å; E460-L463 VanDerWaalsContact O-N 3.13Å; L463-L514 HydrophobicContact CD2-CD2 4.08Å
464E83.6Confident89Confident154 Ų15459 Ų5972%0.7232%0.317SS*.  trans-89.9165.6176.2-62.3-171.2163.500112.3I424 L462 G466I424-E464 HydrophobicContact CD1-CB 4.28Å; L462-E464 PolarHBondContact O-N 3.47Å; E464-G466 PolarHBondContact O-N 3.31Å
465Q79.5Confident89Confident203 Ų20359.5 Ų59.595%0.94932%0.32SS*.SBendtrans-73.2117.1174.1-67.2-175.92.100110.4
466G82.8Confident88.8Confident56 Ų5660.8 Ų60.858%0.57733%0.328SS*.  trans-167.3-171.6176.600000112.3E464E464-G466 PolarHBondContact O-N 3.31Å
467Q84.2Confident88.7Confident169 Ų16964.1 Ų64.179%0.7935%0.348SS*.PPolyproline II helixtrans-98.2129.3177.7-66.2-174.50.500110.5N428N428-Q467 PolarHBondContact ND2-O 3.35Å
468L87.5Confident88.5Confident59 Ų5964.4 Ų64.431%0.30935%0.351SS..PPolyproline II helixtrans-85.8127.3165.4-67175.4000108.1M427 V473 V476M427-L468 HydrophobicContact CB-CD2 3.69Å; M427-L468 HydrophobicContact CG-CD2 4.37Å; L468-V473 HydrophobicContact CB-CG2 4.26Å; L468-V476 HydrophobicContact CD1-CG2 3.79Å
469D90.6Very high88.5Confident88 Ų8864.4 Ų64.447%0.47135%0.351SS..PPolyproline II helixtrans-72.8172.1174.4-64.9-47.2000110.1N428 P471 G472 V473N428-D469 HydrophobicContact CB-CB 4.47Å; N428-D469 PolarHBondContact ND2-N 3.02Å; N428-D469 PolarHBondContact ND2-OD2 2.91Å; N428-D469 PolarHBondContact OD1-N 2.91Å; N428-D469 VanDerWaalsContact OD1-N 3.1Å; D469-P471 HydrophobicContact CB-CG 4.06Å; D469-G472 WeakPolarHBondContact O-CA 3.29Å; D469-G472 PolarHBondContact O-N 3.06Å; D469-V473 PolarHBondContact O-N 2.96Å
470T89.9Confident88.6Confident103 Ų10366.2 Ų66.263%0.63236%0.363SS*.Hα-helixtrans-43.9-50.8172.4-51.40000113.7G472 V473 H474T470-G472 VanDerWaalsContact C-N 3.35Å; T470-G472 PolarHBondContact O-N 3.44Å; T470-V473 PolarHBondContact O-N 2.73Å; T470-H474 PolarHBondContact O-N 3.4Å; T470-H474 PolarHBondContact O-ND1 3.19Å
471P88.8Confident88.7Confident62 Ų6267.3 Ų67.340%0.40337%0.37SS..Hα-helixtrans-60.7-38.4174.123.5-35.3000113.5D469 V473 H474 N475D469-P471 HydrophobicContact CB-CG 4.06Å; P471-V473 PolarHBondContact O-N 3.09Å; P471-H474 PolarHBondContact O-N 3.49Å; P471-N475 WeakPolarHBondContact O-CB 3.49Å; P471-N475 PolarHBondContact O-N 3.05Å
472G88.7Confident89Confident0 Ų066.4 Ų66.40%036%0.364CS..Hα-helixtrans-60.9-41.1176.100000113.3M427 N428 D469 T470 N475 V476M427-G472 VanDerWaalsContact O-CA 3.27Å; M427-G472 WeakPolarHBondContact O-CA 3.24Å; N428-G472 WeakPolarHBondContact OD1-CA 3.45Å; D469-G472 WeakPolarHBondContact O-CA 3.29Å; D469-G472 PolarHBondContact O-N 3.06Å; T470-G472 VanDerWaalsContact C-N 3.35Å; T470-G472 PolarHBondContact O-N 3.44Å; G472-N475 PolarHBondContact O-N 3.15Å; G472-V476 WeakPolarHBondContact O-CG2 3.45Å; G472-V476 PolarHBondContact O-N 2.83Å
473V90.1Very high89.4Confident77 Ų7763.6 Ų63.647%0.46735%0.349SS..Hα-helixtrans-65.6-41.2175.2178.80000111.8L468 D469 T470 P471 V476 T477L468-V473 HydrophobicContact CB-CG2 4.26Å; D469-V473 PolarHBondContact O-N 2.96Å; T470-V473 PolarHBondContact O-N 2.73Å; P471-V473 PolarHBondContact O-N 3.09Å; V473-V476 PolarHBondContact O-N 2.68Å; V473-T477 WeakPolarHBondContact O-CB 3.47Å; V473-T477 PolarHBondContact O-N 3.33Å; V473-T477 PolarHBondContact O-OG1 2.76Å
474H91Very high89.8Confident110 Ų11062.8 Ų62.851%0.50935%0.347SS..Hα-helixtrans-63.3-42.4173.9-71.685.9000111.4T470 P471 T477 A478T470-H474 PolarHBondContact O-N 3.4Å; T470-H474 PolarHBondContact O-ND1 3.19Å; P471-H474 PolarHBondContact O-N 3.49Å; H474-T477 PolarHBondContact O-N 3.22Å; H474-A478 WeakPolarHBondContact O-CB 3.38Å; H474-A478 PolarHBondContact O-N 3.26Å
475N92.7Very high90.1Very high11 Ų1160 Ų606%0.05933%0.33CS..Hα-helixtrans-63-41.2176.7-77.8-18.8000112.7M427 L430 F432 P471 G472 T477 A478 L479M427-N475 HydrophobicContact CE-CB 3.8Å; M427-N475 PolarHBondContact O-ND2 2.8Å; L430-N475 PolarHBondContact O-ND2 2.63Å; F432-N475 VanDerWaalsContact CB-OD1 3.29Å; F432-N475 WeakPolarHBondContact CB-OD1 3.48Å; F432-N475 HydrophobicContact CD2-CB 3.55Å; F432-N475 WeakPolarHBondContact CD2-O 3.49Å; F432-N475 HydrophobicContact CE2-CB 3.76Å; F432-N475 HydrophobicContact CG-CB 4Å; F432-N475 WeakPolarHBondContact CG-OD1 3.33Å; F432-N475 HydrophobicContact CZ-CB 4.37Å; F432-N475 PolarHBondContact N-OD1 3.14Å; P471-N475 WeakPolarHBondContact O-CB 3.49Å; P471-N475 PolarHBondContact O-N 3.05Å; G472-N475 PolarHBondContact O-N 3.15Å; N475-T477 VanDerWaalsContact C-N 3.34Å; N475-A478 WeakPolarHBondContact O-CB 3.37Å; N475-A478 PolarHBondContact O-N 2.93Å; N475-L479 PolarHBondContact O-N 3.48Å; N475-L479 VanDerWaalsContact O-N 3.1Å
476V92Very high90.7Very high26 Ų2650.4 Ų50.416%0.15829%0.285CS..Hα-helixtrans-63.3-40.4172173.90000111.4M427 L468 G472 V473 L479 S480 L514 L515M427-V476 HydrophobicContact CE-CB 4.46Å; M427-V476 HydrophobicContact CE-CG2 3.5Å; M427-V476 VanDerWaalsContact CE-CG2 3.5Å; L468-V476 HydrophobicContact CD1-CG2 3.79Å; G472-V476 WeakPolarHBondContact O-CG2 3.45Å; G472-V476 PolarHBondContact O-N 2.83Å; V473-V476 PolarHBondContact O-N 2.68Å; V476-L479 PolarHBondContact O-N 2.93Å; V476-S480 PolarHBondContact O-N 3.36Å; V476-L514 HydrophobicContact CG1-CD2 4.41Å; V476-L514 HydrophobicContact CG2-CD2 4.41Å; V476-L515 HydrophobicContact CG1-CD2 4.31Å
477T92.8Very high91.2Very high71 Ų7149 Ų4944%0.43626%0.263SS..Hα-helixtrans-66.6-38.9178.1-58.40000111.2V473 H474 N475 L479 S480 N481V473-T477 WeakPolarHBondContact O-CB 3.47Å; V473-T477 PolarHBondContact O-N 3.33Å; V473-T477 PolarHBondContact O-OG1 2.76Å; H474-T477 PolarHBondContact O-N 3.22Å; N475-T477 VanDerWaalsContact C-N 3.34Å; T477-L479 PolarHBondContact O-N 3.22Å; T477-S480 WeakPolarHBondContact O-CB 3.34Å; T477-S480 PolarHBondContact O-N 3.21Å; T477-N481 PolarHBondContact O-N 2.85Å
478A92.7Very high91.5Very high7 Ų741.2 Ų41.26%0.05823%0.227CC..Hα-helixtrans-59.9-45173.800000112.2I433 L448 H474 N475 N481 L482I433-A478 HydrophobicContact CD1-CB 3.75Å; I433-A478 HydrophobicContact CG1-CB 3.79Å; L448-A478 HydrophobicContact CD1-CB 3.87Å; H474-A478 WeakPolarHBondContact O-CB 3.38Å; H474-A478 PolarHBondContact O-N 3.26Å; N475-A478 WeakPolarHBondContact O-CB 3.37Å; N475-A478 PolarHBondContact O-N 2.93Å; A478-N481 PolarHBondContact O-N 3.45Å; A478-L482 WeakPolarHBondContact O-CB 3.23Å; A478-L482 PolarHBondContact O-N 3.32Å
479L94.3Very high91.7Very high0 Ų039.1 Ų39.10%022%0.216CC..Hα-helixtrans-62.1-43.1173.8-70177.9000111.9L420 M422 M427 F432 L448 I458 N475 V476 T477 N481 L482 I483 L515L420-L479 HydrophobicContact CD2-CD1 4Å; L420-L479 HydrophobicContact CD2-CD2 4.04Å; M422-L479 HydrophobicContact CE-CD1 4.03Å; M422-L479 HydrophobicContact SD-CD1 3.7Å; M427-L479 HydrophobicContact CE-CD1 4.39Å; F432-L479 HydrophobicContact CD2-CD1 4.44Å; F432-L479 HydrophobicContact CD2-CD2 4.27Å; F432-L479 HydrophobicContact CD2-CG 4.01Å; F432-L479 HydrophobicContact CE2-CD1 3.76Å; F432-L479 HydrophobicContact CE2-CD2 4.18Å; F432-L479 HydrophobicContact CE2-CG 3.83Å; L448-L479 HydrophobicContact CD1-CD2 4.39Å; L448-L479 HydrophobicContact CD2-CD2 3.89Å; I458-L479 HydrophobicContact CD1-CD1 4.35Å; I458-L479 HydrophobicContact CD1-CD2 4.01Å; N475-L479 PolarHBondContact O-N 3.48Å; N475-L479 VanDerWaalsContact O-N 3.1Å; V476-L479 PolarHBondContact O-N 2.93Å; T477-L479 PolarHBondContact O-N 3.22Å; L479-N481 PolarHBondContact O-N 3.27Å; L479-L482 PolarHBondContact O-N 3.1Å; L479-I483 WeakPolarHBondContact O-CB 3.44Å; L479-I483 WeakPolarHBondContact O-CD1 3.27Å; L479-I483 VanDerWaalsContact O-CG1 3.27Å; L479-I483 WeakPolarHBondContact O-CG1 3.45Å; L479-I483 PolarHBondContact O-N 2.97Å; L479-L515 HydrophobicContact CB-CD1 4.49Å; L479-L515 HydrophobicContact CB-CD2 3.77Å; L479-L515 HydrophobicContact CD1-CD1 4.08Å; L479-L515 HydrophobicContact CD1-CD2 4.23Å
480S93.6Very high91.8Very high38 Ų3835 Ų3527%0.26619%0.194SC..Hα-helixtrans-61.2-42.1176.7-171.60000112.2V476 T477 I483 T484V476-S480 PolarHBondContact O-N 3.36Å; T477-S480 WeakPolarHBondContact O-CB 3.34Å; T477-S480 PolarHBondContact O-N 3.21Å; S480-I483 PolarHBondContact O-N 2.68Å; S480-T484 VanDerWaalsContact O-CB 3.24Å; S480-T484 WeakPolarHBondContact O-CB 3.37Å; S480-T484 PolarHBondContact O-N 3.21Å; S480-T484 PolarHBondContact O-OG1 3.18Å
481N93Very high91.7Very high39 Ų3933 Ų3321%0.20918%0.179CC..Hα-helixtrans-65.7-43.6175.7-771.8000111.8T477 A478 L479 I483 T484 W485 Q486 D489T477-N481 PolarHBondContact O-N 2.85Å; A478-N481 PolarHBondContact O-N 3.45Å; L479-N481 PolarHBondContact O-N 3.27Å; N481-I483 PolarHBondContact O-N 3.31Å; N481-T484 PolarHBondContact O-N 2.92Å; N481-W485 WeakPolarHBondContact O-CA 3.45Å; N481-W485 WeakPolarHBondContact O-CB 3.29Å; N481-W485 PolarHBondContact O-N 2.66Å; N481-Q486 PolarHBondContact O-N 2.96Å; N481-D489 PolarHBondContact ND2-OD2 3.2Å
482L93.4Very high91.6Very high0 Ų031.6 Ų31.60%017%0.167CC..Hα-helixtrans-61.5-44.5176.1-179.4155.9000111.7L448 L456 A478 L479 Q486 K487 V488 I503 V505L448-L482 HydrophobicContact CB-CD1 4.08Å; L448-L482 HydrophobicContact CD1-CD1 4Å; L448-L482 HydrophobicContact CD2-CD1 3.9Å; L448-L482 HydrophobicContact CG-CD1 4.19Å; L456-L482 HydrophobicContact CD2-CD2 4.47Å; A478-L482 WeakPolarHBondContact O-CB 3.23Å; A478-L482 PolarHBondContact O-N 3.32Å; L479-L482 PolarHBondContact O-N 3.1Å; L482-Q486 WeakPolarHBondContact O-CA 3.3Å; L482-Q486 PolarHBondContact O-N 3.21Å; L482-Q486 PolarHBondContact O-NE2 2.75Å; L482-K487 WeakPolarHBondContact CA-O 3.38Å; L482-V488 HydrophobicContact CD1-CG2 4.06Å; L482-I503 HydrophobicContact CD1-CD1 3.76Å; L482-I503 HydrophobicContact CD2-CB 4.32Å; L482-I503 HydrophobicContact CD2-CG2 4.3Å; L482-I503 HydrophobicContact CG-CD1 4.39Å; L482-V505 HydrophobicContact CD2-CG2 3.37Å
483I92.8Very high91.4Very high1 Ų135.1 Ų35.11%0.00519%0.192CC..Hα-helixtrans-68.2-43178.8-69.2161.3000111.9K388 T390 I458 L479 S480 N481 V505 I507 L515 P516K388-I483 WeakPolarHBondContact CD-O 3.46Å; K388-I483 WeakPolarHBondContact CE-O 3.45Å; K388-I483 PolarHBondContact NZ-O 3.5Å; T390-I483 HydrophobicContact CG2-CG1 4.5Å; T390-I483 HydrophobicContact CG2-CG2 3.84Å; I458-I483 HydrophobicContact CD1-CD1 4.41Å; L479-I483 WeakPolarHBondContact O-CB 3.44Å; L479-I483 WeakPolarHBondContact O-CD1 3.27Å; L479-I483 VanDerWaalsContact O-CG1 3.27Å; L479-I483 WeakPolarHBondContact O-CG1 3.45Å; L479-I483 PolarHBondContact O-N 2.97Å; S480-I483 PolarHBondContact O-N 2.68Å; N481-I483 PolarHBondContact O-N 3.31Å; I483-V505 HydrophobicContact CD1-CG1 4.19Å; I483-V505 HydrophobicContact CG1-CB 4.17Å; I483-V505 HydrophobicContact CG1-CG1 4Å; I483-V505 HydrophobicContact CG1-CG2 4Å; I483-I507 HydrophobicContact CD1-CD1 4.23Å; I483-L515 HydrophobicContact CD1-CB 4.01Å; I483-L515 HydrophobicContact CD1-CD1 4.14Å; I483-L515 HydrophobicContact CD1-CD2 4.47Å; I483-L515 HydrophobicContact CD1-CG 4.44Å; I483-P516 HydrophobicContact CB-CG 4.2Å; I483-P516 HydrophobicContact CD1-CG 4.5Å; I483-P516 HydrophobicContact CG2-CB 4.43Å; I483-P516 HydrophobicContact CG2-CG 3.96Å; I483-P516 WeakPolarHBondContact CG2-O 3.4Å
484T91Very high90.9Very high44 Ų4441.3 Ų41.327%0.2721%0.209SC..Hα-helixtrans-82.6-47-172.4-51.80000111.9K388 S480 N481K388-T484 VanDerWaalsContact CE-O 3.23Å; K388-T484 WeakPolarHBondContact CE-O 3.23Å; S480-T484 VanDerWaalsContact O-CB 3.24Å; S480-T484 WeakPolarHBondContact O-CB 3.37Å; S480-T484 PolarHBondContact O-N 3.21Å; S480-T484 PolarHBondContact O-OG1 3.18Å; N481-T484 PolarHBondContact O-N 2.92Å
485W91.3Very high90.6Very high95 Ų9540.5 Ų40.536%0.3621%0.205SC..Hα-helixtrans-109-9.8-170.1-55.7114.8000113.8R380 V383 L384 N481 K487R380-W485 PolarHBondContact NH1-O 3.36Å; V383-W485 HydrophobicContact CG1-CE3 3.9Å; V383-W485 HydrophobicContact CG1-CZ3 4.2Å; L384-W485 HydrophobicContact CD1-CZ3 4.5Å; N481-W485 WeakPolarHBondContact O-CA 3.45Å; N481-W485 WeakPolarHBondContact O-CB 3.29Å; N481-W485 PolarHBondContact O-N 2.66Å; W485-K487 VanDerWaalsContact C-N 3.27Å; W485-K487 HydrophobicContact CB-CD 3.88Å; W485-K487 HydrophobicContact CB-CG 3.91Å; W485-K487 PolarHBondContact O-N 3.49Å
486Q92.4Very high90.2Very high2 Ų246.1 Ų46.11%0.00923%0.23CC..SBendtrans52.551.3-178.2-69.9-81.7-36.400110.2V377 R380 P385 K388 N481 L482 C501 I503V377-Q486 HydrophobicContact CG2-CB 4.11Å; V377-Q486 HydrophobicContact CG2-CG 3.78Å; R380-Q486 VanDerWaalsContact CZ-O 3.3Å; R380-Q486 PolarHBondContact NH1-O 2.94Å; R380-Q486 PolarHBondContact NH2-O 3.48Å; P385-Q486 HydrophobicContact CB-CB 3.92Å; P385-Q486 HydrophobicContact CB-CG 4.13Å; P385-Q486 HydrophobicContact CG-CB 4.06Å; P385-Q486 HydrophobicContact CG-CG 4.13Å; K388-Q486 HydrophobicContact CB-CG 4.24Å; K388-Q486 HydrophobicContact CD-CG 3.92Å; N481-Q486 PolarHBondContact O-N 2.96Å; L482-Q486 WeakPolarHBondContact O-CA 3.3Å; L482-Q486 PolarHBondContact O-N 3.21Å; L482-Q486 PolarHBondContact O-NE2 2.75Å; Q486-C501 WeakPolarHBondContact CB-O 3.42Å; Q486-C501 PolarHBondContact O-N 3.18Å; Q486-C501 PolarHBondContact OE1-O 2.96Å; Q486-I503 PolarHBondContact NE2-O 2.86Å; Q486-I503 PolarHBondContact OE1-O 2.85Å
487K91.8Very high90.1Very high26 Ų2648.8 Ų48.811%0.11324%0.242CC..EExtended strand (participates in β ladder)trans-143158.2175.976.9-171.1-166.3175.10109.9L482 W485 D489 E498 F499 C501L482-K487 WeakPolarHBondContact CA-O 3.38Å; W485-K487 VanDerWaalsContact C-N 3.27Å; W485-K487 HydrophobicContact CB-CD 3.88Å; W485-K487 HydrophobicContact CB-CG 3.91Å; W485-K487 PolarHBondContact O-N 3.49Å; K487-D489 WeakPolarHBondContact CE-OD1 3.44Å; K487-D489 IonicContact NZ-OD1 2.83Å; K487-E498 HydrophobicContact CD-CB 4.33Å; K487-E498 WeakPolarHBondContact CD-OE2 3.4Å; K487-E498 IonicContact NZ-OE1 2.77Å; K487-E498 PolarHBondContact NZ-OE1 3.28Å; K487-E498 IonicContact NZ-OE2 3.16Å; K487-E498 PolarHBondContact NZ-OE2 2.96Å; K487-F499 CarbonylContact C-O 3.59Å; K487-F499 VanDerWaalsContact CA-O 3.22Å; K487-F499 WeakPolarHBondContact CA-O 3.39Å; K487-C501 PolarHBondContact N-SG 3.14Å
488V91.8Very high89.9Confident7 Ų751.1 Ų51.14%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-128.2125.8170.9-176.60000107.3L448 L482 Y490 F499 C501L448-V488 HydrophobicContact CB-CG1 4.18Å; L448-V488 HydrophobicContact CB-CG2 4Å; L482-V488 HydrophobicContact CD1-CG2 4.06Å; V488-Y490 HydrophobicContact CB-CD1 4.32Å; V488-Y490 HydrophobicContact CB-CE1 4Å; V488-Y490 HydrophobicContact CG1-CD1 3.96Å; V488-Y490 HydrophobicContact CG1-CE1 3.82Å; V488-Y490 PolarHBondContact O-N 2.84Å; V488-F499 PolarHBondContact N-O 2.94Å; V488-F499 PolarHBondContact O-N 3.02Å; V488-C501 HydrophobicContact CG2-CB 4.46Å
489D91.8Very high89.8Confident14 Ų1453 Ų538%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-92.7103-173.5-49.8-50.6000108.3I433 N481 K487 M497I433-D489 WeakPolarHBondContact CG2-O 3.46Å; N481-D489 PolarHBondContact ND2-OD2 3.2Å; K487-D489 WeakPolarHBondContact CE-OD1 3.44Å; K487-D489 IonicContact NZ-OD1 2.83Å; D489-M497 CarbonylContact C-O 3.57Å
490Y91.2Very high89.6Confident1 Ų157 Ų570%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-77.8137.1-174.6-75.120.5000110.3V252 N253 P434 L443 V488 Q496 M497 F499V252-Y490 HydrophobicContact CG1-CE2 4.18Å; N253-Y490 PolarHBondContact ND2-OH 3.22Å; N253-Y490 PolarHBondContact OD1-OH 3.45Å; P434-Y490 HydrophobicContact CB-CD1 4.32Å; P434-Y490 HydrophobicContact CB-CD2 4.11Å; P434-Y490 HydrophobicContact CB-CE1 4.36Å; P434-Y490 HydrophobicContact CB-CE2 4.18Å; P434-Y490 HydrophobicContact CB-CG 4.19Å; P434-Y490 HydrophobicContact CG-CD1 3.97Å; P434-Y490 HydrophobicContact CG-CD2 4.39Å; P434-Y490 HydrophobicContact CG-CE1 3.65Å; P434-Y490 HydrophobicContact CG-CE2 4.12Å; P434-Y490 HydrophobicContact CG-CG 4.33Å; L443-Y490 HydrophobicContact CD1-CD2 4.06Å; L443-Y490 HydrophobicContact CD2-CD2 3.84Å; L443-Y490 HydrophobicContact CD2-CE2 3.62Å; V488-Y490 HydrophobicContact CB-CD1 4.32Å; V488-Y490 HydrophobicContact CB-CE1 4Å; V488-Y490 HydrophobicContact CG1-CD1 3.96Å; V488-Y490 HydrophobicContact CG1-CE1 3.82Å; V488-Y490 PolarHBondContact O-N 2.84Å; Y490-Q496 VanDerWaalsContact O-CA 3.3Å; Y490-Q496 WeakPolarHBondContact O-CA 3.17Å; Y490-M497 PolarHBondContact N-O 2.97Å; Y490-M497 PolarHBondContact O-N 2.85Å; Y490-F499 HydrophobicContact CD1-CB 4.29Å; Y490-F499 AromaticContact CD1-CD2 3.69Å; Y490-F499 HydrophobicContact CD1-CD2 3.69Å; Y490-F499 HydrophobicContact CD1-CE2 4.44Å; Y490-F499 HydrophobicContact CD1-CG 4.27Å; Y490-F499 AromaticContact CD2-CD2 3.42Å; Y490-F499 HydrophobicContact CD2-CD2 3.42Å; Y490-F499 VanDerWaalsContact CD2-CD2 3.42Å; Y490-F499 AromaticContact CD2-CE2 3.39Å; Y490-F499 HydrophobicContact CD2-CE2 3.39Å; Y490-F499 HydrophobicContact CD2-CG 4.18Å; Y490-F499 HydrophobicContact CD2-CZ 4.13Å; Y490-F499 HydrophobicContact CE1-CB 4.01Å; Y490-F499 HydrophobicContact CE1-CD2 4.05Å; Y490-F499 HydrophobicContact CE1-CG 4.19Å; Y490-F499 HydrophobicContact CE2-CD1 4.48Å; Y490-F499 AromaticContact CE2-CD2 3.78Å; Y490-F499 HydrophobicContact CE2-CD2 3.78Å; Y490-F499 AromaticContact CE2-CE2 3.95Å; Y490-F499 HydrophobicContact CE2-CE2 3.95Å; Y490-F499 HydrophobicContact CE2-CG 4.06Å; Y490-F499 HydrophobicContact CE2-CZ 4.38Å; Y490-F499 AromaticContact CG-CD2 3.36Å; Y490-F499 HydrophobicContact CG-CD2 3.36Å; Y490-F499 AromaticContact CG-CE2 3.67Å; Y490-F499 HydrophobicContact CG-CE2 3.67Å; Y490-F499 HydrophobicContact CG-CG 4.28Å
491D89.3Confident89.4Confident61 Ų6155.8 Ų55.833%0.32627%0.272SS..EExtended strand (participates in β ladder)trans-93.2108.9-173.3-171.3-0.4000112I433 P434 H435 K436 S493I433-D491 HydrophobicContact CG2-CB 4.13Å; P434-D491 PolarHBondContact O-N 3.27Å; H435-D491 CarbonylContact C-O 3.51Å; H435-D491 WeakPolarHBondContact CA-O 3.12Å; H435-D491 HydrophobicContact CB-CB 4.06Å; K436-D491 PolarHBondContact N-O 3.41Å; D491-S493 WeakPolarHBondContact OD1-CA 3.32Å; D491-S493 PolarHBondContact OD1-N 3.48Å
492F86.8Confident89.4Confident33 Ų3355 Ų5515%0.14527%0.268CS..  trans-100.529.9173.8-70.3-100.2000111.6K436 Y438 Y494 H495 M497 F499K436-F492 HydrophobicContact CB-CD1 3.49Å; K436-F492 VanDerWaalsContact CB-CD1 3.49Å; K436-F492 HydrophobicContact CB-CE1 3.88Å; K436-F492 HydrophobicContact CB-CG 4.12Å; K436-F492 HydrophobicContact CD-CE1 4.26Å; K436-F492 HydrophobicContact CG-CD1 3.91Å; K436-F492 HydrophobicContact CG-CE1 4.16Å; Y438-F492 WeakPolarHBondContact CE2-O 3.39Å; Y438-F492 PolarHBondContact OH-O 2.84Å; F492-Y494 PolarHBondContact O-N 2.83Å; F492-H495 WeakPolarHBondContact CA-O 3.27Å; F492-H495 WeakPolarHBondContact CB-CE1 3.48Å; F492-H495 WeakPolarHBondContact CB-ND1 3.37Å; F492-H495 WeakPolarHBondContact CB-O 3.27Å; F492-H495 AromaticContact CG-CE1 3.73Å; F492-H495 AromaticContact CG-NE2 3.8Å; F492-H495 PolarHBondContact N-O 2.9Å; F492-M497 HydrophobicContact CD2-CB 4.13Å; F492-M497 HydrophobicContact CD2-CG 3.83Å; F492-M497 HydrophobicContact CD2-SD 4.11Å; F492-M497 HydrophobicContact CE2-CB 3.83Å; F492-M497 HydrophobicContact CE2-CG 3.77Å; F492-M497 HydrophobicContact CE2-SD 3.66Å; F492-M497 HydrophobicContact CZ-SD 3.89Å; F492-F499 HydrophobicContact CE2-CE2 4.34Å
493S84.1Confident89.4Confident75 Ų7555 Ų5552%0.52427%0.269SS..SBendtrans62.4-43.5-179.6-56.50000116.4D491D491-S493 WeakPolarHBondContact OD1-CA 3.32Å; D491-S493 PolarHBondContact OD1-N 3.48Å
494Y78.3Confident89.4Confident207 Ų20755.3 Ų55.381%0.81227%0.27SS*.SBendtrans-105.4-19.2-179.3-57.6-78.1000112.9Y438 F492Y438-Y494 HydrophobicContact CE2-CD2 4.49Å; F492-Y494 PolarHBondContact O-N 2.83Å
495H86.3Confident89.7Confident92 Ų9253.3 Ų53.343%0.42626%0.258SS..  trans-147.7158.2177.569-74.6000110.3F492F492-H495 WeakPolarHBondContact CA-O 3.27Å; F492-H495 WeakPolarHBondContact CB-CE1 3.48Å; F492-H495 WeakPolarHBondContact CB-ND1 3.37Å; F492-H495 WeakPolarHBondContact CB-O 3.27Å; F492-H495 AromaticContact CG-CE1 3.73Å; F492-H495 AromaticContact CG-NE2 3.8Å; F492-H495 PolarHBondContact N-O 2.9Å
496Q84.8Confident89.9Confident129 Ų12949 Ų4960%0.60324%0.241SC*.EExtended strand (participates in β ladder)trans-110.6132.8172.5-71.1176.8-17.900109Y490Y490-Q496 VanDerWaalsContact O-CA 3.3Å; Y490-Q496 WeakPolarHBondContact O-CA 3.17Å
497M88.1Confident90Very high82 Ų8248.9 Ų48.940%0.40424%0.241SC..EExtended strand (participates in β ladder)trans-107123.5175.6-69.5-169.57000110.2D489 Y490 F492 F499D489-M497 CarbonylContact C-O 3.57Å; Y490-M497 PolarHBondContact N-O 2.97Å; Y490-M497 PolarHBondContact O-N 2.85Å; F492-M497 HydrophobicContact CD2-CB 4.13Å; F492-M497 HydrophobicContact CD2-CG 3.83Å; F492-M497 HydrophobicContact CD2-SD 4.11Å; F492-M497 HydrophobicContact CE2-CB 3.83Å; F492-M497 HydrophobicContact CE2-CG 3.77Å; F492-M497 HydrophobicContact CE2-SD 3.66Å; F492-M497 HydrophobicContact CZ-SD 3.89Å; M497-F499 HydrophobicContact CB-CD2 4.23Å; M497-F499 HydrophobicContact CB-CE2 3.7Å; M497-F499 HydrophobicContact CE-CZ 4.49Å; M497-F499 WeakPolarHBondContact O-CD2 3.49Å; M497-F499 PolarHBondContact O-N 3.41Å
498E89.6Confident90.1Very high120 Ų12047.6 Ų47.656%0.56124%0.236SC*.EExtended strand (participates in β ladder)trans-81.8107.7-178.1-49.5-163.1161.700111.3K487K487-E498 HydrophobicContact CD-CB 4.33Å; K487-E498 WeakPolarHBondContact CD-OE2 3.4Å; K487-E498 IonicContact NZ-OE1 2.77Å; K487-E498 PolarHBondContact NZ-OE1 3.28Å; K487-E498 IonicContact NZ-OE2 3.16Å; K487-E498 PolarHBondContact NZ-OE2 2.96Å
499F89.8Confident90.1Very high47 Ų4747.4 Ų47.421%0.20623%0.234CC..EExtended strand (participates in β ladder)trans-95.1118.6176-76.9-92.4000111.2V252 K487 V488 Y490 F492 M497 C501V252-F499 HydrophobicContact CB-CE1 4.35Å; K487-F499 CarbonylContact C-O 3.59Å; K487-F499 VanDerWaalsContact CA-O 3.22Å; K487-F499 WeakPolarHBondContact CA-O 3.39Å; V488-F499 PolarHBondContact N-O 2.94Å; V488-F499 PolarHBondContact O-N 3.02Å; Y490-F499 HydrophobicContact CD1-CB 4.29Å; Y490-F499 AromaticContact CD1-CD2 3.69Å; Y490-F499 HydrophobicContact CD1-CD2 3.69Å; Y490-F499 HydrophobicContact CD1-CE2 4.44Å; Y490-F499 HydrophobicContact CD1-CG 4.27Å; Y490-F499 AromaticContact CD2-CD2 3.42Å; Y490-F499 HydrophobicContact CD2-CD2 3.42Å; Y490-F499 VanDerWaalsContact CD2-CD2 3.42Å; Y490-F499 AromaticContact CD2-CE2 3.39Å; Y490-F499 HydrophobicContact CD2-CE2 3.39Å; Y490-F499 HydrophobicContact CD2-CG 4.18Å; Y490-F499 HydrophobicContact CD2-CZ 4.13Å; Y490-F499 HydrophobicContact CE1-CB 4.01Å; Y490-F499 HydrophobicContact CE1-CD2 4.05Å; Y490-F499 HydrophobicContact CE1-CG 4.19Å; Y490-F499 HydrophobicContact CE2-CD1 4.48Å; Y490-F499 AromaticContact CE2-CD2 3.78Å; Y490-F499 HydrophobicContact CE2-CD2 3.78Å; Y490-F499 AromaticContact CE2-CE2 3.95Å; Y490-F499 HydrophobicContact CE2-CE2 3.95Å; Y490-F499 HydrophobicContact CE2-CG 4.06Å; Y490-F499 HydrophobicContact CE2-CZ 4.38Å; Y490-F499 AromaticContact CG-CD2 3.36Å; Y490-F499 HydrophobicContact CG-CD2 3.36Å; Y490-F499 AromaticContact CG-CE2 3.67Å; Y490-F499 HydrophobicContact CG-CE2 3.67Å; Y490-F499 HydrophobicContact CG-CG 4.28Å; F492-F499 HydrophobicContact CE2-CE2 4.34Å; M497-F499 HydrophobicContact CB-CD2 4.23Å; M497-F499 HydrophobicContact CB-CE2 3.7Å; M497-F499 HydrophobicContact CE-CZ 4.49Å; M497-F499 WeakPolarHBondContact O-CD2 3.49Å; M497-F499 PolarHBondContact O-N 3.41Å; F499-C501 PolarHBondContact O-N 3Å
500P90.2Very high89.8Confident85 Ų8550.8 Ų50.855%0.55225%0.25SC*.EExtended strand (participates in β ladder)trans-70.1124178.327.5-33.5000111.4
501C90.6Very high89.3Confident11 Ų1152.4 Ų52.47%0.07427%0.267CS..  trans-115.1164.1176.769.60000111.7R380 Q486 K487 V488 F499 I503R380-C501 PolarHBondContact NH2-O 3.2Å; Q486-C501 WeakPolarHBondContact CB-O 3.42Å; Q486-C501 PolarHBondContact O-N 3.18Å; Q486-C501 PolarHBondContact OE1-O 2.96Å; K487-C501 PolarHBondContact N-SG 3.14Å; V488-C501 HydrophobicContact CG2-CB 4.46Å; F499-C501 PolarHBondContact O-N 3Å; C501-I503 HydrophobicContact CB-CD1 3.9Å; C501-I503 HydrophobicContact CB-CG1 4.25Å
502N92.4Very high89.1Confident23 Ų2360.7 Ų60.712%0.12329%0.293CS..  trans-134.391.1173.8176.925.7000107.3V377 S452 N453V377-N502 PolarHBondContact N-OD1 3.03Å; S452-N502 CarbonylContact C-O 3.54Å; N453-N502 PolarHBondContact N-O 3.3Å; N453-N502 PolarHBondContact OD1-ND2 2.73Å
503I93.4Very high89.1Confident1 Ų160 Ų601%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-127.1126.5-169.6-63.4166.6000108.7L450 L456 L482 Q486 C501 V505L450-I503 HydrophobicContact CB-CD1 3.9Å; L450-I503 HydrophobicContact CB-CG1 4.42Å; L450-I503 HydrophobicContact CD1-CD1 4.42Å; L456-I503 HydrophobicContact CB-CG2 3.74Å; L456-I503 HydrophobicContact CD2-CG2 4.36Å; L482-I503 HydrophobicContact CD1-CD1 3.76Å; L482-I503 HydrophobicContact CD2-CB 4.32Å; L482-I503 HydrophobicContact CD2-CG2 4.3Å; L482-I503 HydrophobicContact CG-CD1 4.39Å; Q486-I503 PolarHBondContact NE2-O 2.86Å; Q486-I503 PolarHBondContact OE1-O 2.85Å; C501-I503 HydrophobicContact CB-CD1 3.9Å; C501-I503 HydrophobicContact CB-CG1 4.25Å; I503-V505 HydrophobicContact CG2-CG2 4.28Å; I503-V505 PolarHBondContact O-N 3Å
504N93.5Very high89.2Confident7 Ų761 Ų614%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-86.4108-179.6-72.830.2000108.8H372 S375 T454 S455 L456H372-N504 PolarHBondContact O-ND2 2.81Å; H372-N504 VanDerWaalsContact O-ND2 3.09Å; S375-N504 PolarHBondContact O-ND2 2.86Å; S375-N504 PolarHBondContact O-OD1 2.86Å; T454-N504 PolarHBondContact O-N 2.77Å; S455-N504 CarbonylContact C-O 3.4Å; S455-N504 WeakPolarHBondContact CA-O 3.23Å; L456-N504 PolarHBondContact N-O 2.7Å
505V95.6Very high89.8Confident1 Ų151.6 Ų51.61%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-96.7123.2-178.4-171.90000111.8H372 T390 V391 L456 I458 L482 I483 I503 I507H372-V505 PolarHBondContact CE1-O 3.39Å; T390-V505 WeakPolarHBondContact CA-O 3.18Å; T390-V505 HydrophobicContact CG2-CB 4.09Å; T390-V505 HydrophobicContact CG2-CG1 4.3Å; V391-V505 PolarHBondContact N-O 2.78Å; L456-V505 HydrophobicContact CB-CG2 4.47Å; L456-V505 HydrophobicContact CD2-CG2 4.32Å; L456-V505 WeakPolarHBondContact O-CA 3.24Å; I458-V505 HydrophobicContact CD1-CG1 3.49Å; I458-V505 VanDerWaalsContact CD1-CG1 3.49Å; I458-V505 HydrophobicContact CG1-CG1 3.96Å; L482-V505 HydrophobicContact CD2-CG2 3.37Å; I483-V505 HydrophobicContact CD1-CG1 4.19Å; I483-V505 HydrophobicContact CG1-CB 4.17Å; I483-V505 HydrophobicContact CG1-CG1 4Å; I483-V505 HydrophobicContact CG1-CG2 4Å; I503-V505 HydrophobicContact CG2-CG2 4.28Å; I503-V505 PolarHBondContact O-N 3Å; V505-I507 HydrophobicContact CG1-CG1 4.18Å
506L95.5Very high90Very high4 Ų449.5 Ų49.52%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-110.7125.6168.117868.8000108.1L369 V391 I410 L456 V457 I458L369-L506 HydrophobicContact CD1-CD1 4.28Å; L369-L506 HydrophobicContact CD1-CD2 4.03Å; V391-L506 HydrophobicContact CB-CD1 4.06Å; V391-L506 HydrophobicContact CG1-CD1 4.08Å; I410-L506 HydrophobicContact CD1-CD2 3.52Å; L456-L506 PolarHBondContact O-N 2.82Å; V457-L506 CarbonylContact C-O 3.48Å; V457-L506 WeakPolarHBondContact CA-O 3.25Å; V457-L506 HydrophobicContact CG1-CD2 4.45Å; V457-L506 HydrophobicContact CG2-CB 4.39Å; V457-L506 HydrophobicContact CG2-CD2 4.31Å; I458-L506 PolarHBondContact N-O 2.78Å
507I95.3Very high90.2Very high0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-103.8131175.3-59.1157.4000108T390 V391 N392 L393 I458 E460 I483 V505 L515 A517T390-I507 HydrophobicContact CG2-CD1 4.01Å; V391-I507 PolarHBondContact O-N 3.21Å; N392-I507 CarbonylContact C-O 3.54Å; N392-I507 WeakPolarHBondContact CA-O 3.12Å; N392-I507 HydrophobicContact CB-CB 4.17Å; N392-I507 PolarHBondContact OD1-O 2.97Å; L393-I507 PolarHBondContact N-O 3.01Å; I458-I507 HydrophobicContact CB-CG1 4.34Å; I458-I507 CarbonylContact O-C 3.56Å; I458-I507 WeakPolarHBondContact O-CA 3.41Å; E460-I507 HydrophobicContact CG-CG2 3.98Å; I483-I507 HydrophobicContact CD1-CD1 4.23Å; V505-I507 HydrophobicContact CG1-CG1 4.18Å; I507-L515 HydrophobicContact CD1-CB 3.89Å; I507-L515 HydrophobicContact CD1-CD1 4.43Å; I507-L515 HydrophobicContact CG1-CD1 4.49Å; I507-A517 HydrophobicContact CD1-CB 4.19Å
508T93.4Very high90.2Very high0 Ų042.8 Ų42.80%023%0.225CC..EExtended strand (participates in β ladder)trans-108.2119.9167.153.90000109.3T403 L406 I458 D459 E460T403-T508 HydrophobicContact CG2-CG2 4.36Å; L406-T508 HydrophobicContact CD2-CG2 4.26Å; I458-T508 PolarHBondContact O-N 2.92Å; D459-T508 WeakPolarHBondContact CA-OG1 3.35Å; D459-T508 PolarHBondContact OD1-OG1 2.91Å; E460-T508 PolarHBondContact N-O 3.31Å
509S91.5Very high90.2Very high2 Ų237.3 Ų37.31%0.01420%0.199CC..  trans-132.1158.4-177.7640000111.4N392 L393 S394 G395 C396 E460N392-S509 PolarHBondContact ND2-OG 3.15Å; N392-S509 VanDerWaalsContact ND2-OG 3.13Å; N392-S509 PolarHBondContact OD1-OG 3.31Å; L393-S509 PolarHBondContact O-N 2.83Å; S394-S509 CarbonylContact C-O 3.56Å; S394-S509 VanDerWaalsContact CA-O 3.27Å; S394-S509 WeakPolarHBondContact CA-O 3.3Å; G395-S509 PolarHBondContact N-O 3.4Å; G395-S509 VanDerWaalsContact N-O 3.08Å; C396-S509 PolarHBondContact N-O 3.38Å; C396-S509 VanDerWaalsContact N-O 3.12Å; E460-S509 WeakPolarHBondContact OE2-CB 3.46Å
510E85.7Confident90.3Very high85 Ų8537.9 Ų37.940%0.39720%0.203SC..SBendtrans-75.2-45.4171.6-178.5-169.8-172.800110.9G395 R398G395-E510 VanDerWaalsContact CA-O 3.29Å; G395-E510 WeakPolarHBondContact CA-O 3.33Å; G395-E510 PolarHBondContact N-O 3.01Å; R398-E510 HydrophobicContact CG-CG 4.3Å; R398-E510 IonicContact CZ-OE1 2.82Å; R398-E510 IonicContact CZ-OE2 2.7Å; R398-E510 IonicContact NE-OE1 2.67Å; R398-E510 PolarHBondContact NE-OE1 3Å; R398-E510 IonicContact NE-OE2 2.81Å; R398-E510 PolarHBondContact NE-OE2 3.06Å; R398-E510 IonicContact NH1-OE1 2.78Å; R398-E510 VanDerWaalsContact NH2-CD 3.3Å; R398-E510 IonicContact NH2-OE1 3.2Å; R398-E510 PolarHBondContact NH2-OE1 2.9Å; R398-E510 VanDerWaalsContact NH2-OE1 3.13Å; R398-E510 IonicContact NH2-OE2 3.77Å; R398-E510 PolarHBondContact NH2-OE2 3.29Å
511G82.3Confident90.3Very high35 Ų3533.9 Ų33.936%0.36118%0.177SC..SBendtrans-134.2-115.2-170.500000113.3S394 Q520S394-G511 WeakPolarHBondContact CB-O 3.37Å; G511-Q520 PolarHBondContact O-NE2 3.38Å
512R83.4Confident90.3Very high236 Ų23634.9 Ų34.989%0.89118%0.18SC*.SBendtrans-84.4124.9171.5-177179.2179.8179.20108.6
513S86.9Confident90.1Very high17 Ų1733.8 Ų33.812%0.11918%0.175CC..  trans-69.4150.1177.2169.30000112.1N392 E460 L515N392-S513 WeakPolarHBondContact ND2-CB 3.47Å; E460-S513 PolarHBondContact OE1-OG 3.17Å; E460-S513 WeakPolarHBondContact OE2-CA 3.33Å; E460-S513 WeakPolarHBondContact OE2-CB 3.34Å; E460-S513 PolarHBondContact OE2-OG 2.98Å; S513-L515 PolarHBondContact OG-N 3.5Å; S513-L515 VanDerWaalsContact OG-N 3.14Å; S513-L515 PolarHBondContact OG-O 2.83Å
514L87.3Confident89.7Confident98 Ų9837.1 Ų37.151%0.51319%0.19SC..SBendtrans-74.5-38.1172.1178.265.6000110.9E460 L463 V476E460-L514 PolarHBondContact OE1-N 3.46Å; E460-L514 PolarHBondContact OE2-N 3.5Å; L463-L514 HydrophobicContact CD2-CD2 4.08Å; V476-L514 HydrophobicContact CG1-CD2 4.41Å; V476-L514 HydrophobicContact CG2-CD2 4.41Å
515L90.4Very high89.2Confident9 Ų939.4 Ų39.45%0.04721%0.205CC..SBendtrans-81154.1-177.5-65.2171.2000112.1M422 I458 E460 V476 L479 I483 I507 S513M422-L515 HydrophobicContact CE-CD1 4.47Å; I458-L515 HydrophobicContact CD1-CD1 3.71Å; I458-L515 HydrophobicContact CG2-CD1 3.84Å; E460-L515 WeakPolarHBondContact OE1-CG 3.49Å; E460-L515 PolarHBondContact OE1-N 3Å; V476-L515 HydrophobicContact CG1-CD2 4.31Å; L479-L515 HydrophobicContact CB-CD1 4.49Å; L479-L515 HydrophobicContact CB-CD2 3.77Å; L479-L515 HydrophobicContact CD1-CD1 4.08Å; L479-L515 HydrophobicContact CD1-CD2 4.23Å; I483-L515 HydrophobicContact CD1-CB 4.01Å; I483-L515 HydrophobicContact CD1-CD1 4.14Å; I483-L515 HydrophobicContact CD1-CD2 4.47Å; I483-L515 HydrophobicContact CD1-CG 4.44Å; I507-L515 HydrophobicContact CD1-CB 3.89Å; I507-L515 HydrophobicContact CD1-CD1 4.43Å; I507-L515 HydrophobicContact CG1-CD1 4.49Å; S513-L515 PolarHBondContact OG-N 3.5Å; S513-L515 VanDerWaalsContact OG-N 3.14Å; S513-L515 PolarHBondContact OG-O 2.83Å
516P90.3Very high88.6Confident47 Ų4745.7 Ų45.731%0.30524%0.235SC..  trans-63147.7168.128.4-34.4000110.2I483I483-P516 HydrophobicContact CB-CG 4.2Å; I483-P516 HydrophobicContact CD1-CG 4.5Å; I483-P516 HydrophobicContact CG2-CB 4.43Å; I483-P516 HydrophobicContact CG2-CG 3.96Å; I483-P516 WeakPolarHBondContact CG2-O 3.4Å
517A89.2Confident87.8Confident37 Ų3749 Ų4931%0.30625%0.252SS..  trans-145.2138.7172.700000109.8T390 N392 I507 C519T390-A517 HydrophobicContact CG2-CB 4.3Å; N392-A517 HydrophobicContact CB-CB 3.71Å; I507-A517 HydrophobicContact CD1-CB 4.19Å; A517-C519 VanDerWaalsContact C-N 3.33Å
518D88.1Confident87Confident34 Ų3456.5 Ų56.518%0.18229%0.29CS..SBendtrans-71.3-32.2178.8-57.9-51.4000111K388 T390 Q595K388-D518 IonicContact NZ-OD1 2.74Å; K388-D518 PolarHBondContact NZ-OD1 2.84Å; K388-D518 IonicContact NZ-OD2 2.75Å; K388-D518 PolarHBondContact NZ-OD2 2.94Å; T390-D518 WeakPolarHBondContact CB-OD2 3.23Å; T390-D518 PolarHBondContact N-OD2 3.07Å; T390-D518 PolarHBondContact O-N 3.3Å; D518-Q595 PolarHBondContact O-NE2 2.79Å; D518-Q595 VanDerWaalsContact O-NE2 3.11Å; D518-Q595 PolarHBondContact O-OE1 2.97Å
519C89.1Confident86.1Confident4 Ų457.4 Ų57.43%0.02730%0.296CS..EExtended strand (participates in β ladder)trans-140115179.2-176.20000111.5F389 T390 V391 N392 A517 R627F389-C519 HydrophobicContact CE1-CB 4.39Å; F389-C519 HydrophobicContact CE2-CB 3.72Å; F389-C519 HydrophobicContact CZ-CB 3.57Å; T390-C519 PolarHBondContact O-N 3.28Å; V391-C519 CarbonylContact C-O 3.57Å; V391-C519 WeakPolarHBondContact CA-O 3.13Å; V391-C519 HydrophobicContact CG2-CB 4.29Å; N392-C519 PolarHBondContact N-O 2.89Å; A517-C519 VanDerWaalsContact C-N 3.33Å; C519-R627 WeakPolarHBondContact SG-CD 3.24Å
520Q91.4Very high85.3Confident59 Ų5964.3 Ų64.328%0.27634%0.341SS..EExtended strand (participates in β ladder)trans-91.8134.3168-172.9-178.31200110.7N392 S394 G511 R627 L631N392-Q520 WeakPolarHBondContact O-CA 3.33Å; S394-Q520 PolarHBondContact OG-NE2 3.35Å; G511-Q520 PolarHBondContact O-NE2 3.38Å; Q520-R627 WeakPolarHBondContact O-CD 3.36Å; Q520-R627 PolarHBondContact O-NH1 3.06Å; Q520-L631 HydrophobicContact CG-CD2 4.14Å
521I91.3Very high85.1Confident2 Ų263.2 Ų63.21%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-134.3129.3177-58.1159.9000107.9A365 Y368 V391 N392 S394 R627A365-I521 HydrophobicContact CB-CG2 4.35Å; Y368-I521 HydrophobicContact CD1-CD1 3.98Å; Y368-I521 HydrophobicContact CD2-CD1 3.44Å; Y368-I521 VanDerWaalsContact CD2-CD1 3.44Å; Y368-I521 HydrophobicContact CD2-CG1 4.07Å; Y368-I521 HydrophobicContact CE2-CD1 4.28Å; Y368-I521 HydrophobicContact CE2-CG1 4.49Å; Y368-I521 HydrophobicContact CG-CD1 3.27Å; Y368-I521 HydrophobicContact CG-CG1 4.27Å; V391-I521 HydrophobicContact CG1-CD1 3.81Å; N392-I521 PolarHBondContact O-N 2.85Å; S394-I521 PolarHBondContact N-O 2.74Å; S394-I521 PolarHBondContact OG-O 2.89Å; I521-R627 HydrophobicContact CG1-CG 4.2Å
522H89.7Confident84.9Confident31 Ų3163.5 Ų63.514%0.14433%0.33CS..EExtended strand (participates in β ladder)trans-86.5125.3169.5-165.171.6000110.5S394 G395 R630 Q634S394-H522 WeakPolarHBondContact O-CA 3.46Å; S394-H522 PolarHBondContact O-ND1 2.9Å; S394-H522 WeakPolarHBondContact OG-CA 3.5Å; S394-H522 PolarHBondContact OG-ND1 3.1Å; G395-H522 WeakPolarHBondContact CA-CE1 3.49Å; G395-H522 PolarHBondContact N-ND1 3.26Å; H522-R630 PolarHBondContact O-NH1 3.42Å; H522-Q634 PolarHBondContact CD2-NE2 3Å; H522-Q634 VanDerWaalsContact CD2-NE2 3.33Å; H522-Q634 PolarHBondContact CE1-NE2 3.04Å; H522-Q634 PolarHBondContact CE1-OE1 2.97Å; H522-Q634 PolarHBondContact ND1-NE2 3.46Å; H522-Q634 PolarHBondContact ND1-OE1 2.97Å; H522-Q634 PolarHBondContact NE2-NE2 3.33Å
523L88.3Confident84.9Confident1 Ų156.7 Ų56.71%0.00531%0.308CS..  trans-66.1126.8171.7-176.765.1000109.2L359 D362 A365 L393 S394 F402 P525L359-L523 HydrophobicContact CB-CD1 4.13Å; L359-L523 HydrophobicContact CD2-CD1 4.39Å; D362-L523 HydrophobicContact CB-CD1 3.97Å; A365-L523 HydrophobicContact CB-CD1 4.26Å; L393-L523 HydrophobicContact CD1-CB 3.99Å; L393-L523 HydrophobicContact CD1-CD1 4.33Å; L393-L523 HydrophobicContact CG-CB 4.33Å; S394-L523 WeakPolarHBondContact O-CB 3.41Å; S394-L523 PolarHBondContact O-N 3.48Å; F402-L523 HydrophobicContact CE1-CD2 3.73Å; F402-L523 HydrophobicContact CZ-CD2 3.89Å; L523-P525 HydrophobicContact CD2-CG 4.39Å; L523-P525 HydrophobicContact CG-CG 4.22Å; L523-P525 WeakPolarHBondContact O-CD 3.44Å
524Q86.3Confident84.8Confident71 Ų7162.3 Ų62.333%0.33233%0.333SS..  trans-118.989.6172.9-71.7-174.8-30.100109.2D362 Q526D362-Q524 PolarHBondContact OD2-N 2.96Å; Q524-Q526 PolarHBondContact O-N 3.01Å
525P82.5Confident84.6Confident55 Ų5560.6 Ų60.636%0.35732%0.32SS..  trans-57.6121.2177.8-24.135.2000110.9L360 L523L360-P525 HydrophobicContact CB-CB 3.88Å; L360-P525 HydrophobicContact CD1-CB 4.01Å; L360-P525 HydrophobicContact CD1-CG 4.05Å; L523-P525 HydrophobicContact CD2-CG 4.39Å; L523-P525 HydrophobicContact CG-CG 4.22Å; L523-P525 WeakPolarHBondContact O-CD 3.44Å
526Q82.9Confident84.3Confident133 Ų13360.2 Ų60.262%0.62132%0.318SS*.SBendtrans-94-21.3171.9-55.7-175.612.900111.1L360 G361 Q524L360-Q526 PolarHBondContact O-N 2.78Å; G361-Q526 VanDerWaalsContact O-CD 3.29Å; G361-Q526 PolarHBondContact O-NE2 3.43Å; G361-Q526 PolarHBondContact O-OE1 2.99Å; Q524-Q526 PolarHBondContact O-N 3.01Å
527L79.1Confident84Confident74 Ų7460.8 Ų60.839%0.38732%0.319SS..  trans-116.6128.2177.3-61.5170.3000108.8L360 P529L360-L527 PolarHBondContact O-N 3.42Å; L527-P529 WeakPolarHBondContact O-CD 3.36Å
528I77.3Confident83.9Confident157 Ų15762.7 Ų62.781%0.80533%0.329SS*.  trans-116.790171.5-55.4175.4000106.1
529P76.1Confident83.8Confident19 Ų1962 Ų6212%0.12333%0.326CS..  trans-70.3143.9-179.229.9-34.2000110.2L360 L527 N531 M532 Y535L360-P529 HydrophobicContact CD2-CG 4.18Å; L527-P529 WeakPolarHBondContact O-CD 3.36Å; P529-N531 VanDerWaalsContact C-N 3.32Å; P529-N531 PolarHBondContact O-N 3.01Å; P529-M532 HydrophobicContact CG-SD 3.51Å; P529-M532 VanDerWaalsContact CG-SD 3.51Å; P529-Y535 HydrophobicContact CB-CD1 4.32Å; P529-Y535 HydrophobicContact CB-CD2 4.1Å; P529-Y535 HydrophobicContact CB-CG 3.83Å; P529-Y535 HydrophobicContact CG-CD1 4.01Å; P529-Y535 HydrophobicContact CG-CG 4.01Å
530P73.1Confident83.5Confident147 Ų14763.4 Ų63.496%0.95533%0.333SS*.SBendtrans-69.4-28.9-176.227.7-35.1000113.1
531N81.7Confident83.2Confident62 Ų6265.5 Ų65.533%0.33235%0.354SS..  trans-128.1114.7167.7-174.4-9.8000109P529 E533 E534 Y535P529-N531 VanDerWaalsContact C-N 3.32Å; P529-N531 PolarHBondContact O-N 3.01Å; N531-E533 PolarHBondContact OD1-N 3.34Å; N531-E534 HydrophobicContact CB-CB 4.18Å; N531-E534 HydrophobicContact CB-CG 4.47Å; N531-E534 WeakPolarHBondContact ND2-CG 3.47Å; N531-E534 PolarHBondContact ND2-OE1 3.3Å; N531-Y535 WeakPolarHBondContact O-CB 3.44Å; N531-Y535 PolarHBondContact O-N 2.91Å
532M78.9Confident82.9Confident41 Ų4168.7 Ų68.720%0.20238%0.381CS..Hα-helixtrans-66.6-39.4-179.6-69.7-71.9-61.200112.4L360 F402 P529 Y535 M536L360-M532 HydrophobicContact CD1-CE 4.22Å; L360-M532 HydrophobicContact CD2-CE 3.93Å; L360-M532 HydrophobicContact CD2-SD 4.09Å; F402-M532 HydrophobicContact CB-CE 3.97Å; F402-M532 HydrophobicContact CD2-CE 3.53Å; F402-M532 HydrophobicContact CE2-CE 4.46Å; F402-M532 HydrophobicContact CG-CE 4.14Å; P529-M532 HydrophobicContact CG-SD 3.51Å; P529-M532 VanDerWaalsContact CG-SD 3.51Å; M532-Y535 PolarHBondContact O-N 3.02Å; M532-M536 WeakPolarHBondContact O-CB 3.44Å; M532-M536 WeakPolarHBondContact O-CG 3.46Å; M532-M536 PolarHBondContact O-N 2.83Å
533E82.6Confident82.8Confident92 Ų9268.5 Ų68.543%0.4338%0.382SS..Hα-helixtrans-71.4-47.7-175.1175.7163.9-157.200111.2N531 Y535 M536 N537N531-E533 PolarHBondContact OD1-N 3.34Å; E533-Y535 VanDerWaalsContact C-N 3.31Å; E533-Y535 PolarHBondContact O-N 2.97Å; E533-M536 PolarHBondContact O-N 2.84Å; E533-N537 VanDerWaalsContact CG-ND2 3.34Å; E533-N537 WeakPolarHBondContact CG-ND2 3.46Å; E533-N537 VanDerWaalsContact O-CB 3.27Å; E533-N537 WeakPolarHBondContact O-CB 3.45Å; E533-N537 VanDerWaalsContact O-CG 3.22Å; E533-N537 PolarHBondContact O-N 2.92Å; E533-N537 PolarHBondContact O-ND2 3.47Å
534E84.3Confident82.7Confident135 Ų13573.8 Ų73.863%0.63141%0.409SS*.Hα-helixtrans-59.2-41.6173.4-78.5170.5-14400112.1N531 S538N531-E534 HydrophobicContact CB-CB 4.18Å; N531-E534 HydrophobicContact CB-CG 4.47Å; N531-E534 WeakPolarHBondContact ND2-CG 3.47Å; N531-E534 PolarHBondContact ND2-OE1 3.3Å; E534-S538 WeakPolarHBondContact O-CB 3.37Å; E534-S538 PolarHBondContact O-N 2.67Å
535Y84.8Confident82.8Confident63 Ų6375 Ų7525%0.24742%0.423CS..Hα-helixtrans-62.3-47.2178.2-177.4-104000112.1H357 P529 N531 M532 E533 S538 L539H357-Y535 PolarHBondContact ND1-OH 2.87Å; P529-Y535 HydrophobicContact CB-CD1 4.32Å; P529-Y535 HydrophobicContact CB-CD2 4.1Å; P529-Y535 HydrophobicContact CB-CG 3.83Å; P529-Y535 HydrophobicContact CG-CD1 4.01Å; P529-Y535 HydrophobicContact CG-CG 4.01Å; N531-Y535 WeakPolarHBondContact O-CB 3.44Å; N531-Y535 PolarHBondContact O-N 2.91Å; M532-Y535 PolarHBondContact O-N 3.02Å; E533-Y535 VanDerWaalsContact C-N 3.31Å; E533-Y535 PolarHBondContact O-N 2.97Å; Y535-S538 PolarHBondContact O-N 3.27Å; Y535-L539 WeakPolarHBondContact O-CB 3.42Å; Y535-L539 PolarHBondContact O-N 3.45Å
536M83.3Confident83Confident1 Ų175.7 Ų75.71%0.00543%0.429CS..Hα-helixtrans-71.7-37.3-178.8-64.8-66.9-9600112.3F402 H405 I409 M532 E533 L539 L540F402-M536 HydrophobicContact CD2-CE 4.48Å; F402-M536 HydrophobicContact CE2-CE 4.42Å; H405-M536 HydrophobicContact CB-CB 4.01Å; H405-M536 HydrophobicContact CB-CE 3.72Å; H405-M536 HydrophobicContact CB-CG 3.89Å; I409-M536 HydrophobicContact CD1-CE 3.43Å; I409-M536 VanDerWaalsContact CD1-CE 3.43Å; I409-M536 HydrophobicContact CD1-SD 4.08Å; M532-M536 WeakPolarHBondContact O-CB 3.44Å; M532-M536 WeakPolarHBondContact O-CG 3.46Å; M532-M536 PolarHBondContact O-N 2.83Å; E533-M536 PolarHBondContact O-N 2.84Å; M536-L539 PolarHBondContact O-N 3.21Å; M536-L539 HydrophobicContact SD-CD2 4.38Å; M536-L540 PolarHBondContact O-N 3.39Å
537N85.1Confident83.4Confident59 Ų5970.9 Ų70.932%0.31641%0.409SS..Hα-helixtrans-68.6-37.1174.2-70.8-27.6000111.8E533 L540 S541E533-N537 VanDerWaalsContact CG-ND2 3.34Å; E533-N537 WeakPolarHBondContact CG-ND2 3.46Å; E533-N537 VanDerWaalsContact O-CB 3.27Å; E533-N537 WeakPolarHBondContact O-CB 3.45Å; E533-N537 VanDerWaalsContact O-CG 3.22Å; E533-N537 PolarHBondContact O-N 2.92Å; E533-N537 PolarHBondContact O-ND2 3.47Å; N537-L540 PolarHBondContact O-N 3.12Å; N537-S541 WeakPolarHBondContact O-CB 3.5Å; N537-S541 PolarHBondContact O-N 3.09Å; N537-S541 PolarHBondContact O-OG 3.42Å
538S86.8Confident83.9Confident76 Ų7668.2 Ų68.253%0.53140%0.395SS..Hα-helixtrans-63.9-44.1171.7-175.10000111.3E534 Y535 L540 S541 A542E534-S538 WeakPolarHBondContact O-CB 3.37Å; E534-S538 PolarHBondContact O-N 2.67Å; Y535-S538 PolarHBondContact O-N 3.27Å; S538-L540 PolarHBondContact O-N 3.09Å; S538-S541 PolarHBondContact O-N 3.14Å; S538-S541 VanDerWaalsContact O-N 3.17Å; S538-A542 VanDerWaalsContact O-CB 3.25Å; S538-A542 WeakPolarHBondContact O-CB 3.34Å; S538-A542 PolarHBondContact O-N 3.04Å
539L85.4Confident84.6Confident21 Ų2163.2 Ų63.211%0.1137%0.37CS..Hα-helixtrans-59.1-45.1175.817962.8000112.2F354 H357 A358 I409 Y535 M536 A542F354-L539 HydrophobicContact CD2-CD1 3.74Å; F354-L539 HydrophobicContact CD2-CG 4.08Å; F354-L539 HydrophobicContact CE2-CD1 3.87Å; F354-L539 HydrophobicContact CE2-CD2 4.28Å; F354-L539 HydrophobicContact CE2-CG 3.69Å; H357-L539 HydrophobicContact CB-CD1 3.87Å; H357-L539 HydrophobicContact CB-CD2 4.1Å; A358-L539 HydrophobicContact CB-CD2 3.93Å; I409-L539 HydrophobicContact CD1-CD2 4.17Å; Y535-L539 WeakPolarHBondContact O-CB 3.42Å; Y535-L539 PolarHBondContact O-N 3.45Å; M536-L539 PolarHBondContact O-N 3.21Å; M536-L539 HydrophobicContact SD-CD2 4.38Å; L539-A542 PolarHBondContact O-N 2.65Å
540L83.2Confident85.4Confident32 Ų3265.7 Ų65.717%0.16838%0.379CS..Hα-helixtrans-64.4-37.9174.7-77.7171000112.6F354 I409 H412 M536 N537 S538F354-L540 HydrophobicContact CZ-CD2 4.45Å; I409-L540 HydrophobicContact CG1-CD1 4.36Å; I409-L540 HydrophobicContact CG1-CD2 3.95Å; I409-L540 HydrophobicContact CG1-CG 4.15Å; H412-L540 HydrophobicContact CB-CD2 4.48Å; M536-L540 PolarHBondContact O-N 3.39Å; N537-L540 PolarHBondContact O-N 3.12Å; S538-L540 PolarHBondContact O-N 3.09Å
541S85.2Confident86.4Confident103 Ų10358.9 Ų58.972%0.7233%0.334SS*.Hα-helixtrans-76.9-25.3-179.5-56.10000113.6N537 S538N537-S541 WeakPolarHBondContact O-CB 3.5Å; N537-S541 PolarHBondContact O-N 3.09Å; N537-S541 PolarHBondContact O-OG 3.42Å; S538-S541 PolarHBondContact O-N 3.14Å; S538-S541 VanDerWaalsContact O-N 3.17Å
542A85Confident87Confident69 Ų6957 Ų5757%0.5732%0.323SS*.Hα-helixtrans-76.6-24.4-178.200000113.3S538 L539S538-A542 VanDerWaalsContact O-CB 3.25Å; S538-A542 WeakPolarHBondContact O-CB 3.34Å; S538-A542 PolarHBondContact O-N 3.04Å; L539-A542 PolarHBondContact O-N 2.65Å
543V85.9Confident87.6Confident28 Ų2856 Ų5617%0.1732%0.318CS..SBendtrans-84.6123.9179.1-172.30000110.4F354 V547 L548 F551F354-V543 HydrophobicContact CD2-CG2 3.41Å; F354-V543 VanDerWaalsContact CD2-CG2 3.41Å; F354-V543 HydrophobicContact CE2-CG2 3.48Å; F354-V543 VanDerWaalsContact CE2-CG2 3.48Å; F354-V543 HydrophobicContact CG-CG2 4.41Å; V543-V547 HydrophobicContact CG1-CB 3.88Å; V543-V547 HydrophobicContact CG1-CG1 3.9Å; V543-L548 HydrophobicContact CB-CD2 4.14Å; V543-L548 HydrophobicContact CB-CG 4.21Å; V543-L548 HydrophobicContact CG1-CD2 3.75Å; V543-L548 HydrophobicContact CG1-CG 3.74Å; V543-F551 HydrophobicContact CG1-CE2 4.27Å
544L87.7Confident88.1Confident111 Ų11151.6 Ų51.658%0.58130%0.297SS*.  trans-61.5139.8176.6-78.874000110.8S546 V547 L548L544-S546 PolarHBondContact O-N 3.03Å; L544-V547 HydrophobicContact CB-CG2 4.27Å; L544-V547 WeakPolarHBondContact O-CB 3.43Å; L544-V547 PolarHBondContact O-N 2.61Å; L544-L548 PolarHBondContact O-N 3.04Å; L544-L548 VanDerWaalsContact O-N 3.14Å
545P86.9Confident88.5Confident96 Ų9645.2 Ų45.262%0.62327%0.268SS*.Hα-helixtrans-55.2-29.3177.3-28.935.6000114.4N549P545-N549 WeakPolarHBondContact O-CB 3.35Å; P545-N549 PolarHBondContact O-N 3.15Å; P545-N549 PolarHBondContact O-ND2 2.97Å
546S87.9Confident88.8Confident70 Ų7042.4 Ų42.449%0.4926%0.257SS..Hα-helixtrans-64.5-38.5173.850.80000112.9L544 N549 K550L544-S546 PolarHBondContact O-N 3.03Å; S546-N549 PolarHBondContact O-N 3.01Å; S546-K550 PolarHBondContact O-N 2.63Å
547V90.6Very high89.1Confident33 Ų3342.6 Ų42.620%0.226%0.258CS..Hα-helixtrans-73.6-42.6177.6178.50000110.4V543 L544 N549 K550 F551V543-V547 HydrophobicContact CG1-CB 3.88Å; V543-V547 HydrophobicContact CG1-CG1 3.9Å; L544-V547 HydrophobicContact CB-CG2 4.27Å; L544-V547 WeakPolarHBondContact O-CB 3.43Å; L544-V547 PolarHBondContact O-N 2.61Å; V547-N549 PolarHBondContact O-N 2.92Å; V547-K550 WeakPolarHBondContact O-CA 3.4Å; V547-K550 WeakPolarHBondContact O-CB 3.23Å; V547-K550 PolarHBondContact O-N 3.13Å; V547-F551 HydrophobicContact CG1-CD1 4.43Å; V547-F551 HydrophobicContact CG1-CE1 3.73Å; V547-F551 HydrophobicContact CG1-CE2 3.91Å; V547-F551 HydrophobicContact CG1-CZ 3.44Å; V547-F551 VanDerWaalsContact CG1-CZ 3.44Å; V547-F551 PolarHBondContact O-N 3.2Å
548L90.8Very high89.3Confident18 Ų1839.8 Ų39.89%0.09424%0.243CC..Hα-helixtrans-56.8-39.6171.7-68.6177.6000112L413 V543 L544 F551 R552L413-L548 HydrophobicContact CD2-CD2 4.45Å; V543-L548 HydrophobicContact CB-CD2 4.14Å; V543-L548 HydrophobicContact CB-CG 4.21Å; V543-L548 HydrophobicContact CG1-CD2 3.75Å; V543-L548 HydrophobicContact CG1-CG 3.74Å; L544-L548 PolarHBondContact O-N 3.04Å; L544-L548 VanDerWaalsContact O-N 3.14Å; L548-F551 HydrophobicContact CD2-CD2 4.12Å; L548-F551 PolarHBondContact O-N 2.92Å; L548-R552 WeakPolarHBondContact O-CD 3.37Å; L548-R552 VanDerWaalsContact O-CG 3.3Å; L548-R552 WeakPolarHBondContact O-CG 3.44Å; L548-R552 PolarHBondContact O-N 2.75Å
549N92.3Very high89.4Confident51 Ų5137.2 Ų37.227%0.27322%0.221SC..Hα-helixtrans-64.2-38.1174.4-73.4-13.7000112.4L321 P545 S546 V547 R552 I553L321-N549 HydrophobicContact CD1-CB 3.79Å; P545-N549 WeakPolarHBondContact O-CB 3.35Å; P545-N549 PolarHBondContact O-N 3.15Å; P545-N549 PolarHBondContact O-ND2 2.97Å; S546-N549 PolarHBondContact O-N 3.01Å; V547-N549 PolarHBondContact O-N 2.92Å; N549-R552 PolarHBondContact O-N 3.07Å; N549-R552 PolarHBondContact OD1-NH1 2.82Å; N549-I553 WeakPolarHBondContact O-CD1 3.46Å; N549-I553 VanDerWaalsContact O-CG1 3.23Å; N549-I553 WeakPolarHBondContact O-CG1 3.15Å; N549-I553 PolarHBondContact O-N 3.17Å
550K91.7Very high89.4Confident72 Ų7238.6 Ų38.631%0.31323%0.227SC..Hα-helixtrans-62.1-41.7170.4-64.4-167.2-176.1-165.90111.8F340 E343 V347 S546 V547 I553 Y554F340-K550 HydrophobicContact CE2-CB 4.32Å; F340-K550 HydrophobicContact CE2-CG 4.39Å; F340-K550 HydrophobicContact CZ-CB 4.44Å; F340-K550 WeakPolarHBondContact CZ-O 3.37Å; E343-K550 WeakPolarHBondContact OE2-CE 3.22Å; E343-K550 IonicContact OE2-NZ 2.67Å; E343-K550 PolarHBondContact OE2-NZ 2.97Å; V347-K550 HydrophobicContact CG1-CB 4.08Å; V347-K550 HydrophobicContact CG2-CB 4.06Å; V347-K550 HydrophobicContact CG2-CD 3.74Å; V347-K550 HydrophobicContact CG2-CG 4.5Å; S546-K550 PolarHBondContact O-N 2.63Å; V547-K550 WeakPolarHBondContact O-CA 3.4Å; V547-K550 WeakPolarHBondContact O-CB 3.23Å; V547-K550 PolarHBondContact O-N 3.13Å; K550-I553 PolarHBondContact O-N 3.1Å; K550-Y554 WeakPolarHBondContact O-CB 3.49Å; K550-Y554 PolarHBondContact O-N 3.43Å
551F93.6Very high89.5Confident3 Ų338.3 Ų38.31%0.01323%0.225CC..Hα-helixtrans-62.6-43.1176.4-60.2-19.2000112.6V347 E350 L351 F354 L413 V543 V547 L548 Y554 L555V347-F551 HydrophobicContact CG1-CD1 3.93Å; V347-F551 HydrophobicContact CG1-CE1 4.34Å; E350-F551 HydrophobicContact CB-CE1 3.85Å; E350-F551 HydrophobicContact CB-CZ 3.94Å; L351-F551 HydrophobicContact CB-CD1 3.83Å; L351-F551 HydrophobicContact CB-CE1 3.72Å; L351-F551 HydrophobicContact CB-CG 4.39Å; L351-F551 HydrophobicContact CB-CZ 4.17Å; L351-F551 HydrophobicContact CD1-CB 4.18Å; L351-F551 HydrophobicContact CD1-CD1 4.15Å; L351-F551 HydrophobicContact CD1-CD2 3.88Å; L351-F551 HydrophobicContact CD1-CE2 4.25Å; L351-F551 HydrophobicContact CD1-CG 3.83Å; L351-F551 HydrophobicContact CG-CD1 4.46Å; F354-F551 HydrophobicContact CB-CE2 4.16Å; F354-F551 HydrophobicContact CB-CZ 4.46Å; F354-F551 HydrophobicContact CD1-CE2 4.21Å; F354-F551 HydrophobicContact CG-CE2 4.17Å; L413-F551 HydrophobicContact CD2-CB 3.81Å; L413-F551 HydrophobicContact CD2-CD2 3.89Å; L413-F551 HydrophobicContact CD2-CG 4.33Å; V543-F551 HydrophobicContact CG1-CE2 4.27Å; V547-F551 HydrophobicContact CG1-CD1 4.43Å; V547-F551 HydrophobicContact CG1-CE1 3.73Å; V547-F551 HydrophobicContact CG1-CE2 3.91Å; V547-F551 HydrophobicContact CG1-CZ 3.44Å; V547-F551 VanDerWaalsContact CG1-CZ 3.44Å; V547-F551 PolarHBondContact O-N 3.2Å; L548-F551 HydrophobicContact CD2-CD2 4.12Å; L548-F551 PolarHBondContact O-N 2.92Å; F551-Y554 PolarHBondContact O-N 3.47Å; F551-L555 WeakPolarHBondContact O-CB 3.21Å; F551-L555 WeakPolarHBondContact O-CG 3.45Å; F551-L555 PolarHBondContact O-N 2.88Å
552R94.2Very high89.3Confident23 Ų2341.2 Ų41.29%0.08723%0.227CC..Hα-helixtrans-61-45.5176.1-70.3159179.3170-2.7112.1W140 N319 L321 H412 L413 L548 N549 T556W140-R552 HydrophobicContact CH2-CB 3.95Å; W140-R552 HydrophobicContact CH2-CG 3.87Å; W140-R552 HydrophobicContact CZ2-CB 4.2Å; W140-R552 HydrophobicContact CZ2-CG 3.71Å; W140-R552 HydrophobicContact CZ3-CG 4.37Å; N319-R552 PolarHBondContact ND2-O 3.39Å; N319-R552 VanDerWaalsContact ND2-O 3.16Å; L321-R552 HydrophobicContact CD1-CB 3.9Å; H412-R552 VanDerWaalsContact O-CZ 3.32Å; H412-R552 PolarHBondContact O-NE 3.01Å; H412-R552 PolarHBondContact O-NH2 2.91Å; L413-R552 WeakPolarHBondContact O-CG 3.06Å; L548-R552 WeakPolarHBondContact O-CD 3.37Å; L548-R552 VanDerWaalsContact O-CG 3.3Å; L548-R552 WeakPolarHBondContact O-CG 3.44Å; L548-R552 PolarHBondContact O-N 2.75Å; N549-R552 PolarHBondContact O-N 3.07Å; N549-R552 PolarHBondContact OD1-NH1 2.82Å; R552-T556 WeakPolarHBondContact O-CB 3.45Å; R552-T556 PolarHBondContact O-N 3.03Å; R552-T556 VanDerWaalsContact O-N 3.16Å; R552-T556 PolarHBondContact O-OG1 3.01Å
553I91.9Very high89.3Confident19 Ų1939.6 Ų39.610%0.09721%0.207CC..Hα-helixtrans-61.6-50.8175.3-68.3161000109.8L321 L322 F336 F340 N549 K550 T556 L557L321-I553 HydrophobicContact CB-CD1 4.11Å; L321-I553 HydrophobicContact CB-CG1 3.73Å; L321-I553 HydrophobicContact CD1-CD1 4.46Å; L321-I553 HydrophobicContact CD1-CG1 4.15Å; L322-I553 HydrophobicContact CD2-CG2 4.06Å; F336-I553 HydrophobicContact CE1-CG2 4.12Å; F336-I553 HydrophobicContact CZ-CD1 4.2Å; F336-I553 HydrophobicContact CZ-CG2 4.15Å; F340-I553 HydrophobicContact CD1-CG2 3.91Å; F340-I553 HydrophobicContact CD2-CG2 3.84Å; F340-I553 HydrophobicContact CE1-CB 4.45Å; F340-I553 HydrophobicContact CE1-CG2 3.74Å; F340-I553 HydrophobicContact CE2-CB 4.11Å; F340-I553 HydrophobicContact CE2-CG2 3.67Å; F340-I553 HydrophobicContact CG-CG2 3.95Å; F340-I553 HydrophobicContact CZ-CB 3.97Å; F340-I553 HydrophobicContact CZ-CG2 3.62Å; N549-I553 WeakPolarHBondContact O-CD1 3.46Å; N549-I553 VanDerWaalsContact O-CG1 3.23Å; N549-I553 WeakPolarHBondContact O-CG1 3.15Å; N549-I553 PolarHBondContact O-N 3.17Å; K550-I553 PolarHBondContact O-N 3.1Å; I553-T556 PolarHBondContact O-N 2.91Å; I553-L557 WeakPolarHBondContact O-CB 3.4Å; I553-L557 PolarHBondContact O-N 3.48Å
554Y93.3Very high89.3Confident0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-53.9-55.5178172.2-83.4000112.2L344 V347 R348 L351 I370 I374 K550 F551 T556 L557 L558 S606L344-Y554 HydrophobicContact CD2-CD2 3.46Å; L344-Y554 VanDerWaalsContact CD2-CD2 3.46Å; L344-Y554 HydrophobicContact CD2-CE2 3.92Å; L344-Y554 HydrophobicContact CD2-CG 4.46Å; V347-Y554 HydrophobicContact CG1-CD2 3.99Å; V347-Y554 HydrophobicContact CG1-CG 4.11Å; R348-Y554 HydrophobicContact CB-CE2 3.87Å; R348-Y554 WeakPolarHBondContact CD-OH 3.05Å; L351-Y554 HydrophobicContact CD2-CD1 3.68Å; L351-Y554 HydrophobicContact CD2-CE1 3.59Å; I370-Y554 HydrophobicContact CG2-CE1 4.22Å; I374-Y554 HydrophobicContact CG2-CE1 4.45Å; K550-Y554 WeakPolarHBondContact O-CB 3.49Å; K550-Y554 PolarHBondContact O-N 3.43Å; F551-Y554 PolarHBondContact O-N 3.47Å; Y554-T556 VanDerWaalsContact C-N 3.28Å; Y554-T556 PolarHBondContact O-N 2.87Å; Y554-L557 PolarHBondContact O-N 2.89Å; Y554-L558 HydrophobicContact CD1-CD1 4.1Å; Y554-L558 HydrophobicContact CD2-CD1 4.12Å; Y554-L558 HydrophobicContact CE1-CD1 3.63Å; Y554-L558 HydrophobicContact CE2-CD1 3.64Å; Y554-L558 HydrophobicContact CG-CD1 4.3Å; Y554-L558 VanDerWaalsContact O-CG 3.3Å; Y554-L558 WeakPolarHBondContact O-CG 3.44Å; Y554-L558 PolarHBondContact O-N 3.33Å; Y554-S606 WeakPolarHBondContact OH-CA 3.46Å; Y554-S606 WeakPolarHBondContact OH-CB 3.47Å; Y554-S606 PolarHBondContact OH-O 3.5Å
555L92.8Very high89.2Confident2 Ų239.5 Ų39.51%0.0121%0.211CC..Hα-helixtrans-64.2-32.5-177-71.9177.3000112.8L351 L373 I374 L413 F551 R559L351-L555 HydrophobicContact CD2-CD2 4.04Å; L351-L555 HydrophobicContact CD2-CG 4.33Å; L373-L555 HydrophobicContact CB-CD1 4.49Å; L373-L555 HydrophobicContact CB-CD2 3.79Å; L373-L555 HydrophobicContact CD1-CD1 4.16Å; L373-L555 HydrophobicContact CD1-CD2 4.44Å; I374-L555 HydrophobicContact CG2-CD2 3.79Å; L413-L555 HydrophobicContact CB-CD1 3.92Å; F551-L555 WeakPolarHBondContact O-CB 3.21Å; F551-L555 WeakPolarHBondContact O-CG 3.45Å; F551-L555 PolarHBondContact O-N 2.88Å; L555-R559 WeakPolarHBondContact O-CG 3.31Å
556T91.4Very high89.1Confident4 Ų437.1 Ų37.13%0.02520%0.196CC..Hα-helixtrans-80.4-45.8179.3-50.20000111.4H317 N319 L322 R552 I553 Y554 L558 R559 F560H317-T556 HydrophobicContact CB-CG2 4.02Å; N319-T556 HydrophobicContact CB-CG2 3.93Å; N319-T556 PolarHBondContact ND2-OG1 3.43Å; L322-T556 HydrophobicContact CD1-CG2 3.57Å; R552-T556 WeakPolarHBondContact O-CB 3.45Å; R552-T556 PolarHBondContact O-N 3.03Å; R552-T556 VanDerWaalsContact O-N 3.16Å; R552-T556 PolarHBondContact O-OG1 3.01Å; I553-T556 PolarHBondContact O-N 2.91Å; Y554-T556 VanDerWaalsContact C-N 3.28Å; Y554-T556 PolarHBondContact O-N 2.87Å; T556-L558 PolarHBondContact O-N 3.42Å; T556-R559 WeakPolarHBondContact O-CB 3.26Å; T556-R559 PolarHBondContact O-N 3.47Å; T556-F560 HydrophobicContact CG2-CE2 4.05Å; T556-F560 WeakPolarHBondContact O-CD2 3.13Å; T556-F560 WeakPolarHBondContact O-CE2 3.47Å
557L89.8Confident88.8Confident4 Ų440 Ų402%0.02121%0.206CC..Hα-helixtrans-61.9-43.6-175.9178.965000112.2L326 V337 F340 I553 Y554 R559 F560L326-L557 HydrophobicContact CD1-CD1 4.23Å; V337-L557 HydrophobicContact CG1-CD1 4.18Å; V337-L557 HydrophobicContact CG1-CD2 4.45Å; V337-L557 HydrophobicContact CG2-CD1 3.99Å; F340-L557 HydrophobicContact CD1-CD2 3.76Å; I553-L557 WeakPolarHBondContact O-CB 3.4Å; I553-L557 PolarHBondContact O-N 3.48Å; Y554-L557 PolarHBondContact O-N 2.89Å; L557-R559 PolarHBondContact O-N 3.06Å; L557-R559 VanDerWaalsContact O-N 3.16Å; L557-F560 PolarHBondContact O-N 2.82Å
558L88.8Confident88.4Confident1 Ų146.1 Ų46.11%0.00523%0.233CC..G310 helixtrans-62.8-23-177-68.9-175.6000113.9L344 I374 Y554 T556 F560 L561 L605L344-L558 HydrophobicContact CD1-CD2 4.16Å; L344-L558 HydrophobicContact CD2-CD2 4.31Å; I374-L558 HydrophobicContact CB-CB 4.28Å; I374-L558 HydrophobicContact CD1-CD1 4.47Å; I374-L558 HydrophobicContact CG2-CB 4.12Å; I374-L558 HydrophobicContact CG2-CD1 3.97Å; Y554-L558 HydrophobicContact CD1-CD1 4.1Å; Y554-L558 HydrophobicContact CD2-CD1 4.12Å; Y554-L558 HydrophobicContact CE1-CD1 3.63Å; Y554-L558 HydrophobicContact CE2-CD1 3.64Å; Y554-L558 HydrophobicContact CG-CD1 4.3Å; Y554-L558 VanDerWaalsContact O-CG 3.3Å; Y554-L558 WeakPolarHBondContact O-CG 3.44Å; Y554-L558 PolarHBondContact O-N 3.33Å; T556-L558 PolarHBondContact O-N 3.42Å; L558-F560 PolarHBondContact O-N 3.16Å; L558-L561 HydrophobicContact CD2-CD1 3.48Å; L558-L561 VanDerWaalsContact CD2-CD1 3.48Å; L558-L561 HydrophobicContact CD2-CG 4.36Å; L558-L605 VanDerWaalsContact CD2-O 3.22Å; L558-L605 WeakPolarHBondContact CD2-O 3.36Å
559R88.6Confident88.1Confident21 Ų2146.7 Ų46.78%0.07924%0.235CC..G310 helixtrans-68.3-22.5175.9-64.9177.4176.8-170.8-8.7113.1L373 T376 N453 L555 T556 L557L373-R559 VanDerWaalsContact O-CZ 3.25Å; L373-R559 PolarHBondContact O-NE 2.6Å; L373-R559 PolarHBondContact O-NH2 2.94Å; T376-R559 HydrophobicContact CG2-CB 3.7Å; T376-R559 HydrophobicContact CG2-CG 3.75Å; T376-R559 PolarHBondContact OG1-O 3.34Å; N453-R559 PolarHBondContact O-NH1 3.3Å; L555-R559 WeakPolarHBondContact O-CG 3.31Å; T556-R559 WeakPolarHBondContact O-CB 3.26Å; T556-R559 PolarHBondContact O-N 3.47Å; L557-R559 PolarHBondContact O-N 3.06Å; L557-R559 VanDerWaalsContact O-N 3.16Å
560F86.1Confident87.8Confident50 Ų5046.6 Ų46.622%0.21924%0.237CC..G310 helixtrans-107.32.2-176.5-59-79000113.7Q316 H317 L326 T556 L557 L558 E562Q316-F560 HydrophobicContact CB-CE1 3.92Å; Q316-F560 HydrophobicContact CB-CZ 4.26Å; Q316-F560 WeakPolarHBondContact O-CZ 3.35Å; H317-F560 HydrophobicContact CB-CE2 4.09Å; H317-F560 HydrophobicContact CB-CZ 4.03Å; H317-F560 AromaticContact CD2-CE2 3.79Å; L326-F560 HydrophobicContact CD1-CB 3.79Å; L326-F560 HydrophobicContact CD1-CD2 3.44Å; L326-F560 VanDerWaalsContact CD1-CD2 3.44Å; L326-F560 HydrophobicContact CD1-CE2 4.22Å; L326-F560 HydrophobicContact CD1-CG 3.72Å; T556-F560 HydrophobicContact CG2-CE2 4.05Å; T556-F560 WeakPolarHBondContact O-CD2 3.13Å; T556-F560 WeakPolarHBondContact O-CE2 3.47Å; L557-F560 PolarHBondContact O-N 2.82Å; L558-F560 PolarHBondContact O-N 3.16Å; F560-E562 PolarHBondContact O-N 2.9Å
561L84.9Confident87.6Confident27 Ų2749.6 Ų49.614%0.14125%0.25CC..  trans-72.2128.4175.2-68.6-173.2000110.9M341 L558 L605M341-L561 HydrophobicContact CE-CD1 4.16Å; M341-L561 HydrophobicContact SD-CD1 4.14Å; M341-L561 HydrophobicContact SD-CD2 4.26Å; L558-L561 HydrophobicContact CD2-CD1 3.48Å; L558-L561 VanDerWaalsContact CD2-CD1 3.48Å; L558-L561 HydrophobicContact CD2-CG 4.36Å; L561-L605 HydrophobicContact CB-CD2 3.86Å; L561-L605 HydrophobicContact CD1-CD2 4.34Å
562E81.2Confident87.2Confident163 Ų16351.1 Ų51.176%0.76226%0.263SS*.  trans-66.5134.5170.3-64.5-174.4174.900110.2F560 T610F560-E562 PolarHBondContact O-N 2.9Å; E562-T610 WeakPolarHBondContact O-CB 3.5Å; E562-T610 WeakPolarHBondContact O-CG2 3.26Å
563Y85.6Confident86.8Confident35 Ų3550.5 Ų50.514%0.13726%0.262CS..  trans-127131.5-176.9-177.9-98.3000110.6I565 R601 L605 T610 L612Y563-I565 HydrophobicContact CD1-CG1 4.49Å; Y563-I565 HydrophobicContact CE1-CD1 4.24Å; Y563-I565 HydrophobicContact CE1-CG1 3.7Å; Y563-R601 HydrophobicContact CD1-CB 4.25Å; Y563-R601 HydrophobicContact CD1-CG 3.67Å; Y563-R601 HydrophobicContact CD2-CG 4.26Å; Y563-R601 HydrophobicContact CE1-CB 3.75Å; Y563-R601 HydrophobicContact CE1-CG 3.7Å; Y563-R601 HydrophobicContact CE2-CG 4.32Å; Y563-R601 HydrophobicContact CG-CG 3.92Å; Y563-L605 HydrophobicContact CD2-CD2 4.01Å; Y563-L605 HydrophobicContact CD2-CG 4.08Å; Y563-T610 WeakPolarHBondContact CA-O 3.5Å; Y563-T610 WeakPolarHBondContact CD2-O 3.48Å; Y563-L612 WeakPolarHBondContact OH-CA 3.33Å; Y563-L612 VanDerWaalsContact OH-CB 3.25Å; Y563-L612 WeakPolarHBondContact OH-CB 3.47Å
564S84.9Confident86.5Confident69 Ų6955 Ų5548%0.48328%0.283SS..BIsolated β-bridgetrans-130.4153.8177.458.60000111.5T610 T611S564-T610 PolarHBondContact N-O 2.83Å; S564-T611 WeakPolarHBondContact O-CA 3.25Å
565I85.6Confident86.2Confident68 Ų6860.5 Ų60.535%0.34931%0.312SS..  trans-113.4127.8172.9-54.4176.7000106.2Y563 I569 T570 L597 L612Y563-I565 HydrophobicContact CD1-CG1 4.49Å; Y563-I565 HydrophobicContact CE1-CD1 4.24Å; Y563-I565 HydrophobicContact CE1-CG1 3.7Å; I565-I569 HydrophobicContact CG2-CB 4.46Å; I565-I569 HydrophobicContact CG2-CG2 4.45Å; I565-T570 WeakPolarHBondContact CG2-OG1 3.47Å; I565-L597 HydrophobicContact CD1-CD2 4.32Å; I565-L612 HydrophobicContact CG2-CB 4.46Å; I565-L612 HydrophobicContact CG2-CD2 4.43Å
566S84.6Confident85.8Confident46 Ų4661.7 Ų61.732%0.32232%0.318SS..  trans-78.8146.6177.455.90000111.3E568 I569 T570S566-E568 PolarHBondContact O-N 3.46Å; S566-E568 VanDerWaalsContact O-N 3.12Å; S566-I569 PolarHBondContact O-N 2.94Å; S566-T570 PolarHBondContact O-N 2.99Å; S566-T570 PolarHBondContact O-OG1 3.27Å
567D83.1Confident85.4Confident130 Ų13063 Ų6370%0.69532%0.324SS*.Hα-helixtrans-56.2-32.4-177.1-61.2-28.8000113.7I569 K571D567-I569 VanDerWaalsContact C-N 3.32Å; D567-I569 PolarHBondContact O-N 3.32Å; D567-K571 WeakPolarHBondContact O-CG 3.31Å; D567-K571 PolarHBondContact O-N 2.95Å
568E81.8Confident85.2Confident163 Ų16366.3 Ų66.376%0.76234%0.344SS*.Hα-helixtrans-60.7-40.6174.5-62.5-178171.400112.2S566 A572S566-E568 PolarHBondContact O-N 3.46Å; S566-E568 VanDerWaalsContact O-N 3.12Å; E568-A572 PolarHBondContact O-N 3.43Å
569I84.7Confident85Confident29 Ų2971.5 Ų71.515%0.14937%0.368CS..Hα-helixtrans-83.9-33.4-177.8-61.9177.2000110.4I565 S566 D567 K571 A572 V573 L612I565-I569 HydrophobicContact CG2-CB 4.46Å; I565-I569 HydrophobicContact CG2-CG2 4.45Å; S566-I569 PolarHBondContact O-N 2.94Å; D567-I569 VanDerWaalsContact C-N 3.32Å; D567-I569 PolarHBondContact O-N 3.32Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.45Å; I569-A572 PolarHBondContact O-N 3.27Å; I569-A572 VanDerWaalsContact O-N 3.15Å; I569-V573 HydrophobicContact CG2-CG2 4.23Å; I569-V573 VanDerWaalsContact O-CG2 3.31Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.2Å; I569-L612 HydrophobicContact CD1-CB 4.43Å; I569-L612 WeakPolarHBondContact CD1-O 3.48Å; I569-L612 HydrophobicContact CG2-CB 4.11Å; I569-L612 HydrophobicContact CG2-CD2 3.66Å; I569-L612 HydrophobicContact CG2-CG 3.84Å
570T86.4Confident84.6Confident50 Ų5073.2 Ų73.231%0.30738%0.378SS..Hα-helixtrans-53.6-47.9170.6-54.30000110.8I565 S566 V573 E574I565-T570 WeakPolarHBondContact CG2-OG1 3.47Å; S566-T570 PolarHBondContact O-N 2.99Å; S566-T570 PolarHBondContact O-OG1 3.27Å; T570-V573 PolarHBondContact O-N 2.96Å; T570-E574 WeakPolarHBondContact O-CG 3.1Å; T570-E574 PolarHBondContact O-N 3.11Å
571K86.1Confident84.3Confident134 Ų13476.1 Ų76.158%0.58339%0.387SS*.Hα-helixtrans-61.6-44.8174.9-70.1174.9-177.3175.50112.9D567 I569 V573 E574 D575D567-K571 WeakPolarHBondContact O-CG 3.31Å; D567-K571 PolarHBondContact O-N 2.95Å; I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 PolarHBondContact O-N 3.45Å; K571-V573 VanDerWaalsContact C-N 3.25Å; K571-V573 PolarHBondContact O-N 3.31Å; K571-E574 PolarHBondContact O-N 3.2Å; K571-D575 PolarHBondContact O-N 2.88Å
572A84.7Confident84.1Confident36 Ų3682.1 Ų82.130%0.29841%0.412SS..Hα-helixtrans-62.9-31.6177.400000112.9E568 I569 D576E568-A572 PolarHBondContact O-N 3.43Å; I569-A572 PolarHBondContact O-N 3.27Å; I569-A572 VanDerWaalsContact O-N 3.15Å; A572-D576 VanDerWaalsContact O-CB 3.25Å; A572-D576 WeakPolarHBondContact O-CB 3.46Å; A572-D576 PolarHBondContact O-N 2.96Å; A572-D576 VanDerWaalsContact O-N 3.07Å
573V86.9Confident84Confident9 Ų980.4 Ų80.46%0.05541%0.408CS..Hα-helixtrans-72.6-40.9173.4168.70000111.4I569 T570 K571 F577 L593 L597 L612 W617I569-V573 HydrophobicContact CG2-CG2 4.23Å; I569-V573 VanDerWaalsContact O-CG2 3.31Å; I569-V573 WeakPolarHBondContact O-CG2 3.49Å; I569-V573 PolarHBondContact O-N 3.2Å; T570-V573 PolarHBondContact O-N 2.96Å; K571-V573 VanDerWaalsContact C-N 3.25Å; K571-V573 PolarHBondContact O-N 3.31Å; V573-F577 VanDerWaalsContact O-CB 3.3Å; V573-F577 WeakPolarHBondContact O-CB 3.39Å; V573-F577 PolarHBondContact O-N 3.3Å; V573-L593 HydrophobicContact CG1-CD1 4.09Å; V573-L597 HydrophobicContact CG1-CD2 4.22Å; V573-L612 HydrophobicContact CG2-CD2 4.32Å; V573-W617 HydrophobicContact CB-CH2 4.43Å; V573-W617 HydrophobicContact CB-CZ2 4.21Å; V573-W617 HydrophobicContact CG1-CH2 3.66Å; V573-W617 HydrophobicContact CG1-CZ2 3.79Å; V573-W617 HydrophobicContact CG1-CZ3 4.31Å; V573-W617 HydrophobicContact CG2-CD2 3.88Å; V573-W617 HydrophobicContact CG2-CE3 4.05Å; V573-W617 HydrophobicContact CG2-CG 4.47Å; V573-W617 HydrophobicContact CG2-CH2 4.06Å; V573-W617 HydrophobicContact CG2-CZ2 3.89Å; V573-W617 HydrophobicContact CG2-CZ3 4.14Å
574E86.3Confident83.3Confident114 Ų11481.8 Ų81.853%0.53342%0.418SS..Hα-helixtrans-61.7-48.6174.8-73.1170.5-178.900111.5T570 K571 F577 V578T570-E574 WeakPolarHBondContact O-CG 3.1Å; T570-E574 PolarHBondContact O-N 3.11Å; K571-E574 PolarHBondContact O-N 3.2Å; E574-F577 PolarHBondContact O-N 2.99Å; E574-V578 WeakPolarHBondContact O-CG2 3.46Å; E574-V578 PolarHBondContact O-N 2.75Å
575D86.4Confident82.2Confident116 Ų11683 Ų8362%0.6242%0.424SS*.Hα-helixtrans-60.3-48.1176.5-75.2-31.9000111.4K571 F577 V578 E579K571-D575 PolarHBondContact O-N 2.88Å; D575-F577 VanDerWaalsContact C-N 3.33Å; D575-F577 PolarHBondContact O-N 3.08Å; D575-V578 PolarHBondContact O-N 3.32Å; D575-E579 PolarHBondContact O-N 3.33Å
576D84.1Confident81Confident26 Ų2688.8 Ų88.814%0.13945%0.45CS..Hα-helixtrans-59.5-40.5175.9-91.14.6000111.8A572 E579 M580 W617 K621A572-D576 VanDerWaalsContact O-CB 3.25Å; A572-D576 WeakPolarHBondContact O-CB 3.46Å; A572-D576 PolarHBondContact O-N 2.96Å; A572-D576 VanDerWaalsContact O-N 3.07Å; D576-E579 PolarHBondContact O-N 3.47Å; D576-M580 WeakPolarHBondContact O-CB 3.32Å; D576-M580 VanDerWaalsContact O-CG 3.25Å; D576-M580 WeakPolarHBondContact O-CG 3.47Å; D576-M580 PolarHBondContact O-N 3.09Å; D576-W617 PolarHBondContact OD2-NE1 2.87Å; D576-K621 VanDerWaalsContact CG-NZ 3.31Å; D576-K621 IonicContact OD1-NZ 2.66Å; D576-K621 WeakPolarHBondContact OD2-CE 3.33Å; D576-K621 IonicContact OD2-NZ 3.33Å; D576-K621 PolarHBondContact OD2-NZ 2.93Å
577F83.4Confident80.3Confident32 Ų3289 Ų8914%0.1445%0.452CS..Hα-helixtrans-68.3-40.3178.5179-118.4000111.8V573 E574 D575 E579 M580 R581 I588 L593V573-F577 VanDerWaalsContact O-CB 3.3Å; V573-F577 WeakPolarHBondContact O-CB 3.39Å; V573-F577 PolarHBondContact O-N 3.3Å; E574-F577 PolarHBondContact O-N 2.99Å; D575-F577 VanDerWaalsContact C-N 3.33Å; D575-F577 PolarHBondContact O-N 3.08Å; F577-E579 VanDerWaalsContact C-N 3.33Å; F577-M580 PolarHBondContact O-N 2.9Å; F577-R581 HydrophobicContact CD2-CG 4.4Å; F577-R581 HydrophobicContact CE2-CG 4.11Å; F577-R581 HydrophobicContact CZ-CG 4.22Å; F577-R581 WeakPolarHBondContact O-CG 3.17Å; F577-R581 PolarHBondContact O-N 3.31Å; F577-I588 HydrophobicContact CD2-CG2 4.33Å; F577-I588 HydrophobicContact CE2-CG2 3.83Å; F577-L593 HydrophobicContact CB-CD1 4.2Å; F577-L593 HydrophobicContact CB-CD2 4.35Å; F577-L593 HydrophobicContact CD1-CD2 3.81Å; F577-L593 HydrophobicContact CD2-CB 3.9Å; F577-L593 HydrophobicContact CD2-CD1 3.92Å; F577-L593 HydrophobicContact CD2-CD2 3.91Å; F577-L593 HydrophobicContact CD2-CG 4.11Å; F577-L593 HydrophobicContact CE1-CD2 3.94Å; F577-L593 HydrophobicContact CE2-CB 3.63Å; F577-L593 HydrophobicContact CE2-CD2 4.05Å; F577-L593 HydrophobicContact CE2-CG 4.27Å; F577-L593 HydrophobicContact CG-CD1 4.15Å; F577-L593 HydrophobicContact CG-CD2 3.77Å; F577-L593 HydrophobicContact CG-CG 4.39Å; F577-L593 HydrophobicContact CZ-CB 4.13Å; F577-L593 HydrophobicContact CZ-CD2 4.04Å
578V85Confident79.9Confident74 Ų7483.8 Ų83.845%0.44842%0.423SS..Hα-helixtrans-63.4-39.6173.3169.40000110.9E574 D575 K582E574-V578 WeakPolarHBondContact O-CG2 3.46Å; E574-V578 PolarHBondContact O-N 2.75Å; D575-V578 PolarHBondContact O-N 3.32Å; V578-K582 HydrophobicContact CG1-CD 4.34Å; V578-K582 VanDerWaalsContact O-CG 3.28Å; V578-K582 WeakPolarHBondContact O-CG 3.18Å; V578-K582 PolarHBondContact O-N 2.84Å
579E84.7Confident79.9Confident110 Ų11078.9 Ų78.951%0.51440%0.404SS..Hα-helixtrans-65.6-45.4173.7-171177.2179.900112.1D575 D576 F577 R581 K582 N583D575-E579 PolarHBondContact O-N 3.33Å; D576-E579 PolarHBondContact O-N 3.47Å; F577-E579 VanDerWaalsContact C-N 3.33Å; E579-R581 VanDerWaalsContact C-N 3.34Å; E579-R581 PolarHBondContact O-N 3.26Å; E579-K582 WeakPolarHBondContact O-CB 3.24Å; E579-K582 PolarHBondContact O-N 3.18Å; E579-K582 VanDerWaalsContact O-N 3.12Å; E579-N583 PolarHBondContact O-N 3.44Å; E579-N583 VanDerWaalsContact O-N 3.08Å; E579-N583 PolarHBondContact O-ND2 2.91Å
580M79.9Confident79.7Confident56 Ų5680.6 Ų80.628%0.27642%0.423SS..Hα-helixtrans-57-45.3176.4-77.3175.863.100111.7D576 F577 K582 N583 D584 I588 K621D576-M580 WeakPolarHBondContact O-CB 3.32Å; D576-M580 VanDerWaalsContact O-CG 3.25Å; D576-M580 WeakPolarHBondContact O-CG 3.47Å; D576-M580 PolarHBondContact O-N 3.09Å; F577-M580 PolarHBondContact O-N 2.9Å; M580-K582 PolarHBondContact O-N 2.84Å; M580-N583 PolarHBondContact O-N 3.35Å; M580-D584 PolarHBondContact O-N 3.43Å; M580-I588 HydrophobicContact CB-CD1 3.8Å; M580-I588 HydrophobicContact CE-CD1 4.02Å; M580-K621 HydrophobicContact SD-CD 3.89Å
581R80.6Confident79.5Confident111 Ų11183.7 Ų83.742%0.41944%0.438SS..Hα-helixtrans-72.1-23.3176.6-64.9-170.1107.8-176.1-0.1114.6F577 E579 D584 P585 I588F577-R581 HydrophobicContact CD2-CG 4.4Å; F577-R581 HydrophobicContact CE2-CG 4.11Å; F577-R581 HydrophobicContact CZ-CG 4.22Å; F577-R581 WeakPolarHBondContact O-CG 3.17Å; F577-R581 PolarHBondContact O-N 3.31Å; E579-R581 VanDerWaalsContact C-N 3.34Å; E579-R581 PolarHBondContact O-N 3.26Å; R581-D584 CarbonylContact O-C 3.51Å; R581-P585 VanDerWaalsContact O-CA 3.28Å; R581-P585 WeakPolarHBondContact O-CA 3.28Å; R581-P585 WeakPolarHBondContact O-CG 3.44Å; R581-I588 HydrophobicContact CG-CB 4.3Å; R581-I588 HydrophobicContact CG-CG2 4.14Å; R581-I588 PolarHBondContact NE-O 3.48Å; R581-I588 PolarHBondContact NH2-O 2.98Å; R581-I588 VanDerWaalsContact NH2-O 3.16Å
582K80.7Confident79.3Confident153 Ų15378.7 Ų78.767%0.66542%0.418SS*.Hα-helixtrans-68.7-38.8170-76.5165.6-177.1167.10111.1V578 E579 M580V578-K582 HydrophobicContact CG1-CD 4.34Å; V578-K582 VanDerWaalsContact O-CG 3.28Å; V578-K582 WeakPolarHBondContact O-CG 3.18Å; V578-K582 PolarHBondContact O-N 2.84Å; E579-K582 WeakPolarHBondContact O-CB 3.24Å; E579-K582 PolarHBondContact O-N 3.18Å; E579-K582 VanDerWaalsContact O-N 3.12Å; M580-K582 PolarHBondContact O-N 2.84Å
583N77.9Confident79.3Confident127 Ų12778.7 Ų78.768%0.67941%0.412SS*.Hα-helixtrans-78.8-35.4-178.1-66.7-27.5000112.5E579 M580E579-N583 PolarHBondContact O-N 3.44Å; E579-N583 VanDerWaalsContact O-N 3.08Å; E579-N583 PolarHBondContact O-ND2 2.91Å; M580-N583 PolarHBondContact O-N 3.35Å
584D70.8Confident79.3Confident65 Ų6581.5 Ų81.535%0.34843%0.425SS..  trans-138.593.2172.8-169-23.2000111.3M580 R581 Q586 S587 I588M580-D584 PolarHBondContact O-N 3.43Å; R581-D584 CarbonylContact O-C 3.51Å; D584-Q586 VanDerWaalsContact C-N 3.31Å; D584-Q586 PolarHBondContact O-N 2.74Å; D584-Q586 PolarHBondContact OD1-N 2.96Å; D584-S587 PolarHBondContact OD1-N 3.05Å; D584-S587 PolarHBondContact OD1-OG 2.67Å; D584-S587 WeakPolarHBondContact OD2-CB 3.47Å; D584-S587 PolarHBondContact OD2-OG 3.06Å; D584-I588 HydrophobicContact CB-CD1 4.29Å; D584-I588 HydrophobicContact CB-CG1 4.46Å
585P63Low79.3Confident94 Ų9478.4 Ų78.461%0.6141%0.41SS*.THydrogen-bonded Turntrans-71.9-17.5-175.6-20.733000115.3R581R581-P585 VanDerWaalsContact O-CA 3.28Å; R581-P585 WeakPolarHBondContact O-CA 3.28Å; R581-P585 WeakPolarHBondContact O-CG 3.44Å
586Q60.8Low79.4Confident189 Ų18973.4 Ų73.488%0.88338%0.384SS*.THydrogen-bonded Turntrans-108.9-26.2-172.3-72.3-168.4-5.700114D584D584-Q586 VanDerWaalsContact C-N 3.31Å; D584-Q586 PolarHBondContact O-N 2.74Å; D584-Q586 PolarHBondContact OD1-N 2.96Å
587S68.4Low79.6Confident52 Ų5274.6 Ų74.636%0.36439%0.39SS..THydrogen-bonded Turntrans-90.8-6.8-177.987.40000115.5D584D584-S587 PolarHBondContact OD1-N 3.05Å; D584-S587 PolarHBondContact OD1-OG 2.67Å; D584-S587 WeakPolarHBondContact OD2-CB 3.47Å; D584-S587 PolarHBondContact OD2-OG 3.06Å
588I75.4Confident80Confident20 Ų2073.6 Ų73.610%0.10339%0.386CS..  trans-118.3105.2-172-52.2-175.2000111.2F577 M580 R581 D584F577-I588 HydrophobicContact CD2-CG2 4.33Å; F577-I588 HydrophobicContact CE2-CG2 3.83Å; M580-I588 HydrophobicContact CB-CD1 3.8Å; M580-I588 HydrophobicContact CE-CD1 4.02Å; R581-I588 HydrophobicContact CG-CB 4.3Å; R581-I588 HydrophobicContact CG-CG2 4.14Å; R581-I588 PolarHBondContact NE-O 3.48Å; R581-I588 PolarHBondContact NH2-O 2.98Å; R581-I588 VanDerWaalsContact NH2-O 3.16Å; D584-I588 HydrophobicContact CB-CD1 4.29Å; D584-I588 HydrophobicContact CB-CG1 4.46Å
589T80.9Confident80.3Confident59 Ų5970.3 Ų70.336%0.36237%0.366SS..  trans-93.5175.4179.170.70000112.2D591 D592T589-D591 VanDerWaalsContact C-N 3.3Å; T589-D591 PolarHBondContact OG1-N 3.39Å; T589-D592 WeakPolarHBondContact CA-OD2 3.24Å; T589-D592 VanDerWaalsContact CB-OD2 3.31Å; T589-D592 WeakPolarHBondContact CB-OD2 3.44Å; T589-D592 PolarHBondContact N-OD2 2.93Å; T589-D592 PolarHBondContact OG1-N 2.97Å; T589-D592 VanDerWaalsContact OG1-N 3.14Å; T589-D592 PolarHBondContact OG1-OD2 3.29Å
590A81.4Confident80.6Confident66 Ų6665 Ų6555%0.54534%0.341SS..Hα-helixtrans-69.7-30.4170.400000112.1L593 H594A590-L593 WeakPolarHBondContact O-CB 3.44Å; A590-L593 PolarHBondContact O-N 3.41Å; A590-H594 PolarHBondContact O-N 3.42Å
591D81.2Confident81.2Confident114 Ų11463.6 Ų63.661%0.6133%0.333SS*.Hα-helixtrans-70.3-35.4178.5-57.4-38.6000111.2T589 L593 H594 Q595T589-D591 VanDerWaalsContact C-N 3.3Å; T589-D591 PolarHBondContact OG1-N 3.39Å; D591-L593 VanDerWaalsContact C-N 3.31Å; D591-L593 PolarHBondContact O-N 2.92Å; D591-H594 WeakPolarHBondContact O-CB 3.23Å; D591-H594 PolarHBondContact O-N 3.15Å; D591-Q595 WeakPolarHBondContact O-CG 3.48Å; D591-Q595 PolarHBondContact O-N 2.88Å
592D82.1Confident81.7Confident30 Ų3058.5 Ų58.516%0.1631%0.314CS..Hα-helixtrans-60-40.4171.5-65.2-72.8000111.9T589 L596 R628T589-D592 WeakPolarHBondContact CA-OD2 3.24Å; T589-D592 VanDerWaalsContact CB-OD2 3.31Å; T589-D592 WeakPolarHBondContact CB-OD2 3.44Å; T589-D592 PolarHBondContact N-OD2 2.93Å; T589-D592 PolarHBondContact OG1-N 2.97Å; T589-D592 VanDerWaalsContact OG1-N 3.14Å; T589-D592 PolarHBondContact OG1-OD2 3.29Å; D592-L596 VanDerWaalsContact O-CB 3.31Å; D592-L596 WeakPolarHBondContact O-CB 3.44Å; D592-L596 PolarHBondContact O-N 2.68Å; D592-R628 IonicContact OD1-CZ 3.38Å; D592-R628 IonicContact OD1-NH1 3.52Å; D592-R628 IonicContact OD1-NH2 2.68Å; D592-R628 PolarHBondContact OD1-NH2 2.86Å
593L85.6Confident82.2Confident35 Ų3551.2 Ų51.218%0.18328%0.283CS..Hα-helixtrans-66.6-41.6174.4178.765000111.3V573 F577 A590 D591 L596 L597 W617V573-L593 HydrophobicContact CG1-CD1 4.09Å; F577-L593 HydrophobicContact CB-CD1 4.2Å; F577-L593 HydrophobicContact CB-CD2 4.35Å; F577-L593 HydrophobicContact CD1-CD2 3.81Å; F577-L593 HydrophobicContact CD2-CB 3.9Å; F577-L593 HydrophobicContact CD2-CD1 3.92Å; F577-L593 HydrophobicContact CD2-CD2 3.91Å; F577-L593 HydrophobicContact CD2-CG 4.11Å; F577-L593 HydrophobicContact CE1-CD2 3.94Å; F577-L593 HydrophobicContact CE2-CB 3.63Å; F577-L593 HydrophobicContact CE2-CD2 4.05Å; F577-L593 HydrophobicContact CE2-CG 4.27Å; F577-L593 HydrophobicContact CG-CD1 4.15Å; F577-L593 HydrophobicContact CG-CD2 3.77Å; F577-L593 HydrophobicContact CG-CG 4.39Å; F577-L593 HydrophobicContact CZ-CB 4.13Å; F577-L593 HydrophobicContact CZ-CD2 4.04Å; A590-L593 WeakPolarHBondContact O-CB 3.44Å; A590-L593 PolarHBondContact O-N 3.41Å; D591-L593 VanDerWaalsContact C-N 3.31Å; D591-L593 PolarHBondContact O-N 2.92Å; L593-L596 PolarHBondContact O-N 2.8Å; L593-L597 HydrophobicContact CD1-CD1 4.47Å; L593-L597 HydrophobicContact CD1-CG 4.46Å; L593-L597 HydrophobicContact CG-CD1 4.15Å; L593-L597 WeakPolarHBondContact O-CB 3.46Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.13Å; L593-W617 HydrophobicContact CD1-CH2 4.06Å
594H86.4Confident82.9Confident69 Ų6945.2 Ų45.232%0.31925%0.25SS..Hα-helixtrans-60.9-47.1176.2-17671.8000111.5A590 D591 L596 L597 V598A590-H594 PolarHBondContact O-N 3.42Å; D591-H594 WeakPolarHBondContact O-CB 3.23Å; D591-H594 PolarHBondContact O-N 3.15Å; H594-L596 PolarHBondContact O-N 3.3Å; H594-L597 WeakPolarHBondContact O-CB 3.47Å; H594-L597 PolarHBondContact O-N 3.02Å; H594-V598 WeakPolarHBondContact O-CG2 3.3Å; H594-V598 PolarHBondContact O-N 2.76Å
595Q86Confident83.8Confident49 Ų4942.4 Ų42.423%0.22924%0.235CC..Hα-helixtrans-59.1-46.3174.7-72.2175.59.400111.6D518 D591 L597 V598 V599D518-Q595 PolarHBondContact O-NE2 2.79Å; D518-Q595 VanDerWaalsContact O-NE2 3.11Å; D518-Q595 PolarHBondContact O-OE1 2.97Å; D591-Q595 WeakPolarHBondContact O-CG 3.48Å; D591-Q595 PolarHBondContact O-N 2.88Å; Q595-L597 VanDerWaalsContact C-N 3.33Å; Q595-L597 PolarHBondContact O-N 3.38Å; Q595-V598 PolarHBondContact O-N 2.88Å; Q595-V599 WeakPolarHBondContact O-CG2 3.31Å; Q595-V599 PolarHBondContact O-N 2.88Å
596L89.3Confident85.2Confident11 Ų1137.9 Ų37.96%0.05821%0.206CC..Hα-helixtrans-62.6-38.1178-178.162.5000112.3D592 L593 H594 V599 A600 W617 A620 K621 E624D592-L596 VanDerWaalsContact O-CB 3.31Å; D592-L596 WeakPolarHBondContact O-CB 3.44Å; D592-L596 PolarHBondContact O-N 2.68Å; L593-L596 PolarHBondContact O-N 2.8Å; H594-L596 PolarHBondContact O-N 3.3Å; L596-V599 PolarHBondContact O-N 3.32Å; L596-A600 VanDerWaalsContact O-CB 3.23Å; L596-A600 WeakPolarHBondContact O-CB 3.33Å; L596-A600 PolarHBondContact O-N 3.28Å; L596-W617 HydrophobicContact CD2-CH2 3.42Å; L596-W617 VanDerWaalsContact CD2-CH2 3.42Å; L596-W617 HydrophobicContact CD2-CZ2 3.81Å; L596-W617 HydrophobicContact CD2-CZ3 4.01Å; L596-W617 HydrophobicContact CG-CH2 3.68Å; L596-W617 HydrophobicContact CG-CZ2 4.47Å; L596-W617 HydrophobicContact CG-CZ3 3.75Å; L596-A620 HydrophobicContact CD1-CB 3.91Å; L596-K621 HydrophobicContact CD1-CG 4.16Å; L596-K621 HydrophobicContact CD2-CD 4.47Å; L596-K621 HydrophobicContact CD2-CG 3.88Å; L596-E624 HydrophobicContact CD1-CB 4.3Å
597L89.2Confident86.4Confident51 Ų5130.1 Ų30.127%0.26717%0.174SC..Hα-helixtrans-65.1-41.6172.9-79.3168.8000112.4I565 V573 L593 H594 Q595 A600 R601 W617I565-L597 HydrophobicContact CD1-CD2 4.32Å; V573-L597 HydrophobicContact CG1-CD2 4.22Å; L593-L597 HydrophobicContact CD1-CD1 4.47Å; L593-L597 HydrophobicContact CD1-CG 4.46Å; L593-L597 HydrophobicContact CG-CD1 4.15Å; L593-L597 WeakPolarHBondContact O-CB 3.46Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.13Å; H594-L597 WeakPolarHBondContact O-CB 3.47Å; H594-L597 PolarHBondContact O-N 3.02Å; Q595-L597 VanDerWaalsContact C-N 3.33Å; Q595-L597 PolarHBondContact O-N 3.38Å; L597-A600 PolarHBondContact O-N 2.77Å; L597-R601 WeakPolarHBondContact O-CB 3.2Å; L597-R601 PolarHBondContact O-N 2.94Å; L597-W617 HydrophobicContact CD2-CZ3 4.01Å; L597-W617 HydrophobicContact CG-CZ3 4.39Å
598V90.1Very high87.2Confident11 Ų1128.4 Ų28.47%0.06717%0.165CC..Hα-helixtrans-64-44.2175.1171.70000111F389 H594 Q595 R601 C602F389-V598 HydrophobicContact CB-CG1 4.02Å; F389-V598 HydrophobicContact CD2-CG1 3.73Å; F389-V598 HydrophobicContact CG-CG1 4.16Å; H594-V598 WeakPolarHBondContact O-CG2 3.3Å; H594-V598 PolarHBondContact O-N 2.76Å; Q595-V598 PolarHBondContact O-N 2.88Å; V598-R601 PolarHBondContact O-N 3.09Å; V598-C602 WeakPolarHBondContact O-CB 3.09Å; V598-C602 PolarHBondContact O-N 2.88Å; V598-C602 PolarHBondContact O-SG 3.03Å
599V92.1Very high87.7Confident4 Ų430.6 Ų30.62%0.02418%0.175CC..Hα-helixtrans-61.9-46.4174.9169.60000110.9Y368 L371 F389 Q595 L596 R601 C602 L603 A620Y368-V599 HydrophobicContact CE1-CG1 4.46Å; Y368-V599 HydrophobicContact CE1-CG2 4.23Å; L371-V599 HydrophobicContact CD1-CG1 4Å; F389-V599 HydrophobicContact CE2-CG2 3.57Å; F389-V599 HydrophobicContact CZ-CG2 3.71Å; Q595-V599 WeakPolarHBondContact O-CG2 3.31Å; Q595-V599 PolarHBondContact O-N 2.88Å; L596-V599 PolarHBondContact O-N 3.32Å; V599-R601 PolarHBondContact O-N 3.39Å; V599-C602 PolarHBondContact O-N 3.42Å; V599-L603 HydrophobicContact CG1-CD1 3.65Å; V599-L603 HydrophobicContact CG1-CG 4.39Å; V599-L603 WeakPolarHBondContact O-CB 3.5Å; V599-L603 WeakPolarHBondContact O-CD1 3.36Å; V599-L603 VanDerWaalsContact O-CG 3.26Å; V599-L603 WeakPolarHBondContact O-CG 3.26Å; V599-L603 PolarHBondContact O-N 3.14Å; V599-A620 HydrophobicContact CG1-CB 4.18Å
600A91.8Very high88Confident0 Ų030.7 Ų30.70%018%0.175CC..Hα-helixtrans-64.2-38.7178.200000112.9L596 L597 S604 L612 W617 A620L596-A600 VanDerWaalsContact O-CB 3.23Å; L596-A600 WeakPolarHBondContact O-CB 3.33Å; L596-A600 PolarHBondContact O-N 3.28Å; L597-A600 PolarHBondContact O-N 2.77Å; A600-S604 WeakPolarHBondContact O-CB 3.31Å; A600-S604 PolarHBondContact O-N 2.73Å; A600-S604 PolarHBondContact O-OG 2.94Å; A600-L612 HydrophobicContact CB-CD1 3.95Å; A600-W617 HydrophobicContact CB-CE3 3.77Å; A600-W617 HydrophobicContact CB-CZ3 4.12Å; A600-A620 HydrophobicContact CB-CB 3.77Å
601R91.3Very high88.3Confident26 Ų2630.7 Ų30.710%0.09817%0.169CC..Hα-helixtrans-60.7-54.4171.2169.6175.8172.1140-0.2111.1Y378 Y563 L597 V598 V599 L603 S604 L605Y378-R601 VanDerWaalsContact CD2-NH1 3.32Å; Y378-R601 VanDerWaalsContact CG-NH1 3.33Å; Y378-R601 VanDerWaalsContact CG-NH2 3.32Å; Y563-R601 HydrophobicContact CD1-CB 4.25Å; Y563-R601 HydrophobicContact CD1-CG 3.67Å; Y563-R601 HydrophobicContact CD2-CG 4.26Å; Y563-R601 HydrophobicContact CE1-CB 3.75Å; Y563-R601 HydrophobicContact CE1-CG 3.7Å; Y563-R601 HydrophobicContact CE2-CG 4.32Å; Y563-R601 HydrophobicContact CG-CG 3.92Å; L597-R601 WeakPolarHBondContact O-CB 3.2Å; L597-R601 PolarHBondContact O-N 2.94Å; V598-R601 PolarHBondContact O-N 3.09Å; V599-R601 PolarHBondContact O-N 3.39Å; R601-L603 VanDerWaalsContact C-N 3.28Å; R601-L603 PolarHBondContact O-N 3.46Å; R601-S604 WeakPolarHBondContact O-CB 3.47Å; R601-S604 PolarHBondContact O-N 2.97Å; R601-S604 VanDerWaalsContact O-N 3.11Å; R601-L605 HydrophobicContact CG-CD1 3.9Å; R601-L605 HydrophobicContact CG-CG 4.4Å; R601-L605 WeakPolarHBondContact O-CG 3.18Å; R601-L605 PolarHBondContact O-N 3.19Å
602C91.1Very high88.7Confident4 Ų425.4 Ų25.43%0.02714%0.14CC..Hα-helixtrans-61.7-38.4-178.9-64.70000111.2L371 I374 V598 V599 S604 L605 S606L371-C602 HydrophobicContact CB-CB 3.9Å; L371-C602 HydrophobicContact CD2-CB 3.72Å; L371-C602 HydrophobicContact CG-CB 4.24Å; I374-C602 HydrophobicContact CD1-CB 4.19Å; I374-C602 VanDerWaalsContact CD1-O 3.29Å; I374-C602 WeakPolarHBondContact CD1-O 3.38Å; I374-C602 HydrophobicContact CG1-CB 4.33Å; V598-C602 WeakPolarHBondContact O-CB 3.09Å; V598-C602 PolarHBondContact O-N 2.88Å; V598-C602 PolarHBondContact O-SG 3.03Å; V599-C602 PolarHBondContact O-N 3.42Å; C602-S604 PolarHBondContact O-N 3.41Å; C602-L605 PolarHBondContact O-N 3.3Å; C602-S606 VanDerWaalsContact O-CB 3.27Å; C602-S606 WeakPolarHBondContact O-CB 3.29Å; C602-S606 PolarHBondContact O-N 3.34Å; C602-S606 PolarHBondContact O-OG 2.88Å
603L92.1Very high89Confident0 Ų025.4 Ų25.40%014%0.142CC..Hα-helixtrans-63.7-39.2174.6-76.9163.4000112.7L371 V599 R601 S606 A607 A620 L623L371-L603 HydrophobicContact CD1-CD2 4.18Å; L371-L603 HydrophobicContact CD1-CG 3.93Å; L371-L603 HydrophobicContact CD2-CD2 3.88Å; L371-L603 HydrophobicContact CD2-CG 3.88Å; V599-L603 HydrophobicContact CG1-CD1 3.65Å; V599-L603 HydrophobicContact CG1-CG 4.39Å; V599-L603 WeakPolarHBondContact O-CB 3.5Å; V599-L603 WeakPolarHBondContact O-CD1 3.36Å; V599-L603 VanDerWaalsContact O-CG 3.26Å; V599-L603 WeakPolarHBondContact O-CG 3.26Å; V599-L603 PolarHBondContact O-N 3.14Å; R601-L603 VanDerWaalsContact C-N 3.28Å; R601-L603 PolarHBondContact O-N 3.46Å; L603-S606 PolarHBondContact O-OG 2.82Å; L603-A607 PolarHBondContact O-N 3.45Å; L603-A620 HydrophobicContact CD1-CB 3.7Å; L603-L623 HydrophobicContact CD1-CD1 3.65Å; L603-L623 HydrophobicContact CD2-CD1 3.62Å; L603-L623 HydrophobicContact CG-CD1 4.26Å
604S91.6Very high89.1Confident0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-66.4-50.5175.9-54.30000110.6A600 R601 C602 S606 A607 G608 Q609 L612A600-S604 WeakPolarHBondContact O-CB 3.31Å; A600-S604 PolarHBondContact O-N 2.73Å; A600-S604 PolarHBondContact O-OG 2.94Å; R601-S604 WeakPolarHBondContact O-CB 3.47Å; R601-S604 PolarHBondContact O-N 2.97Å; R601-S604 VanDerWaalsContact O-N 3.11Å; C602-S604 PolarHBondContact O-N 3.41Å; S604-S606 VanDerWaalsContact C-N 3.34Å; S604-S606 PolarHBondContact O-N 2.78Å; S604-A607 PolarHBondContact O-N 2.65Å; S604-G608 PolarHBondContact O-N 3.01Å; S604-Q609 CarbonylContact C-O 3.6Å; S604-Q609 VanDerWaalsContact C-O 3.29Å; S604-Q609 WeakPolarHBondContact O-CB 3.41Å; S604-Q609 PolarHBondContact O-N 3.2Å; S604-L612 WeakPolarHBondContact OG-CD1 3.45Å
605L90.7Very high89.3Confident6 Ų635.2 Ų35.23%0.03118%0.18CC..Hα-helixtrans-58.3-43176.6-72.4176.8000112.3L558 L561 Y563 R601 C602 A607 G608L558-L605 VanDerWaalsContact CD2-O 3.22Å; L558-L605 WeakPolarHBondContact CD2-O 3.36Å; L561-L605 HydrophobicContact CB-CD2 3.86Å; L561-L605 HydrophobicContact CD1-CD2 4.34Å; Y563-L605 HydrophobicContact CD2-CD2 4.01Å; Y563-L605 HydrophobicContact CD2-CG 4.08Å; R601-L605 HydrophobicContact CG-CD1 3.9Å; R601-L605 HydrophobicContact CG-CG 4.4Å; R601-L605 WeakPolarHBondContact O-CG 3.18Å; R601-L605 PolarHBondContact O-N 3.19Å; C602-L605 PolarHBondContact O-N 3.3Å; L605-A607 PolarHBondContact O-N 3.15Å; L605-A607 VanDerWaalsContact O-N 3.17Å; L605-G608 PolarHBondContact O-N 3.34Å
606S91.3Very high89.5Confident0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-56.7-32.5175.776.90000112.8R348 Y554 C602 L603 S604 G608R348-S606 WeakPolarHBondContact CD-O 3.43Å; R348-S606 PolarHBondContact NE-OG 2.9Å; R348-S606 PolarHBondContact NH2-OG 3.44Å; Y554-S606 WeakPolarHBondContact OH-CA 3.46Å; Y554-S606 WeakPolarHBondContact OH-CB 3.47Å; Y554-S606 PolarHBondContact OH-O 3.5Å; C602-S606 VanDerWaalsContact O-CB 3.27Å; C602-S606 WeakPolarHBondContact O-CB 3.29Å; C602-S606 PolarHBondContact O-N 3.34Å; C602-S606 PolarHBondContact O-OG 2.88Å; L603-S606 PolarHBondContact O-OG 2.82Å; S604-S606 VanDerWaalsContact C-N 3.34Å; S604-S606 PolarHBondContact O-N 2.78Å; S606-G608 VanDerWaalsContact C-N 3.3Å; S606-G608 PolarHBondContact O-N 2.89Å
607A87.6Confident89.5Confident25 Ų2534.4 Ų34.421%0.20717%0.174CC..THydrogen-bonded Turntrans-876.3176.900000113.8L603 S604 L605 Q609 R616L603-A607 PolarHBondContact O-N 3.45Å; S604-A607 PolarHBondContact O-N 2.65Å; L605-A607 PolarHBondContact O-N 3.15Å; L605-A607 VanDerWaalsContact O-N 3.17Å; A607-Q609 VanDerWaalsContact C-N 3.28Å; A607-Q609 HydrophobicContact CB-CG 4.34Å; A607-Q609 PolarHBondContact O-N 3.01Å; A607-R616 VanDerWaalsContact CB-CZ 3.4Å; A607-R616 VanDerWaalsContact CB-NH2 3.34Å
608G84.8Confident89.6Confident17 Ų1736.2 Ų36.218%0.17518%0.184CC..THydrogen-bonded Turntrans74.114.2-173.900000114.6M341 L344 S604 L605 S606M341-G608 VanDerWaalsContact CE-O 3.26Å; M341-G608 WeakPolarHBondContact CE-O 3.49Å; L344-G608 VanDerWaalsContact CD1-CA 3.43Å; S604-G608 PolarHBondContact O-N 3.01Å; L605-G608 PolarHBondContact O-N 3.34Å; S606-G608 VanDerWaalsContact C-N 3.3Å; S606-G608 PolarHBondContact O-N 2.89Å
609Q86.4Confident89.6Confident65 Ų6540 Ų4030%0.30420%0.196SC..  trans-94113.7-179.4-62.7178.1-37.900109.9S604 A607 T611S604-Q609 CarbonylContact C-O 3.6Å; S604-Q609 VanDerWaalsContact C-O 3.29Å; S604-Q609 WeakPolarHBondContact O-CB 3.41Å; S604-Q609 PolarHBondContact O-N 3.2Å; A607-Q609 VanDerWaalsContact C-N 3.28Å; A607-Q609 HydrophobicContact CB-CG 4.34Å; A607-Q609 PolarHBondContact O-N 3.01Å; Q609-T611 PolarHBondContact O-N 3.37Å
610T86.7Confident89.6Confident61 Ų6139.8 Ų39.837%0.37420%0.195SC..SBendtrans-78.8-4.4176.452.10000113.4E562 Y563 S564E562-T610 WeakPolarHBondContact O-CB 3.5Å; E562-T610 WeakPolarHBondContact O-CG2 3.26Å; Y563-T610 WeakPolarHBondContact CA-O 3.5Å; Y563-T610 WeakPolarHBondContact CD2-O 3.48Å; S564-T610 PolarHBondContact N-O 2.83Å
611T87.9Confident89.6Confident66 Ų6642.3 Ų42.341%0.40521%0.206SC..BIsolated β-bridgetrans-123.5150.1173.251.60000111S564 Q609S564-T611 WeakPolarHBondContact O-CA 3.25Å; Q609-T611 PolarHBondContact O-N 3.37Å
612L89.2Confident89.6Confident4 Ų447 Ų472%0.02123%0.23CC..  trans-62.7149.4166.8-166.248000109.6Y563 I565 I569 V573 A600 S604 R616 W617Y563-L612 WeakPolarHBondContact OH-CA 3.33Å; Y563-L612 VanDerWaalsContact OH-CB 3.25Å; Y563-L612 WeakPolarHBondContact OH-CB 3.47Å; I565-L612 HydrophobicContact CG2-CB 4.46Å; I565-L612 HydrophobicContact CG2-CD2 4.43Å; I569-L612 HydrophobicContact CD1-CB 4.43Å; I569-L612 WeakPolarHBondContact CD1-O 3.48Å; I569-L612 HydrophobicContact CG2-CB 4.11Å; I569-L612 HydrophobicContact CG2-CD2 3.66Å; I569-L612 HydrophobicContact CG2-CG 3.84Å; V573-L612 HydrophobicContact CG2-CD2 4.32Å; A600-L612 HydrophobicContact CB-CD1 3.95Å; S604-L612 WeakPolarHBondContact OG-CD1 3.45Å; L612-R616 HydrophobicContact CD1-CB 4.26Å; L612-W617 HydrophobicContact CD1-CB 4.42Å; L612-W617 HydrophobicContact CD2-CE3 4.27Å
613S89Confident89.6Confident29 Ų2947.6 Ų47.620%0.20323%0.232CC..  trans-132.7153.6168.264.30000110.1E615 R616 W617S613-E615 PolarHBondContact O-N 2.9Å; S613-R616 PolarHBondContact O-N 3.17Å; S613-R616 VanDerWaalsContact O-N 3.08Å; S613-R616 VanDerWaalsContact OG-CG 3.26Å; S613-R616 WeakPolarHBondContact OG-CG 3.24Å; S613-W617 PolarHBondContact O-N 2.97Å
614R87.1Confident89.5Confident182 Ų18248.5 Ų48.569%0.68724%0.236SC*.Hα-helixtrans-58.4-35.1-178.5-168.7174.9-174171.34.5112.4W617 L618R614-W617 PolarHBondContact O-N 3.09Å; R614-L618 HydrophobicContact CG-CD1 4.41Å; R614-L618 VanDerWaalsContact O-CG 3.3Å; R614-L618 WeakPolarHBondContact O-CG 3.22Å; R614-L618 PolarHBondContact O-N 2.95Å
615E89.6Confident89.4Confident129 Ų12951.8 Ų51.860%0.60326%0.26SS*.Hα-helixtrans-63.6-46.6174.7-168.2-163.6146.500111.9S613 W617 L618 R619S613-E615 PolarHBondContact O-N 2.9Å; E615-W617 VanDerWaalsContact C-N 3.34Å; E615-W617 PolarHBondContact O-N 2.91Å; E615-L618 PolarHBondContact O-N 3.37Å; E615-R619 WeakPolarHBondContact O-CB 3.44Å; E615-R619 PolarHBondContact O-N 3.36Å
616R89.9Confident89.3Confident37 Ų3755.5 Ų55.514%0.1428%0.279CS..Hα-helixtrans-64.8-38.3177.4-65.7-68.2171.2-149.4-13.8112.1A607 L612 S613 R619 A620A607-R616 VanDerWaalsContact CB-CZ 3.4Å; A607-R616 VanDerWaalsContact CB-NH2 3.34Å; L612-R616 HydrophobicContact CD1-CB 4.26Å; S613-R616 PolarHBondContact O-N 3.17Å; S613-R616 VanDerWaalsContact O-N 3.08Å; S613-R616 VanDerWaalsContact OG-CG 3.26Å; S613-R616 WeakPolarHBondContact OG-CG 3.24Å; R616-R619 PolarHBondContact O-N 3.24Å; R616-A620 WeakPolarHBondContact O-CB 3.35Å; R616-A620 PolarHBondContact O-N 3.27Å
617W91.2Very high89.2Confident6 Ų656.5 Ų56.52%0.02328%0.283CS..Hα-helixtrans-61.6-47.4174.5178.7-113.5000112.2V573 D576 L593 L596 L597 A600 L612 S613 R614 E615 R619 A620 K621V573-W617 HydrophobicContact CB-CH2 4.43Å; V573-W617 HydrophobicContact CB-CZ2 4.21Å; V573-W617 HydrophobicContact CG1-CH2 3.66Å; V573-W617 HydrophobicContact CG1-CZ2 3.79Å; V573-W617 HydrophobicContact CG1-CZ3 4.31Å; V573-W617 HydrophobicContact CG2-CD2 3.88Å; V573-W617 HydrophobicContact CG2-CE3 4.05Å; V573-W617 HydrophobicContact CG2-CG 4.47Å; V573-W617 HydrophobicContact CG2-CH2 4.06Å; V573-W617 HydrophobicContact CG2-CZ2 3.89Å; V573-W617 HydrophobicContact CG2-CZ3 4.14Å; D576-W617 PolarHBondContact OD2-NE1 2.87Å; L593-W617 HydrophobicContact CD1-CH2 4.06Å; L596-W617 HydrophobicContact CD2-CH2 3.42Å; L596-W617 VanDerWaalsContact CD2-CH2 3.42Å; L596-W617 HydrophobicContact CD2-CZ2 3.81Å; L596-W617 HydrophobicContact CD2-CZ3 4.01Å; L596-W617 HydrophobicContact CG-CH2 3.68Å; L596-W617 HydrophobicContact CG-CZ2 4.47Å; L596-W617 HydrophobicContact CG-CZ3 3.75Å; L597-W617 HydrophobicContact CD2-CZ3 4.01Å; L597-W617 HydrophobicContact CG-CZ3 4.39Å; A600-W617 HydrophobicContact CB-CE3 3.77Å; A600-W617 HydrophobicContact CB-CZ3 4.12Å; L612-W617 HydrophobicContact CD1-CB 4.42Å; L612-W617 HydrophobicContact CD2-CE3 4.27Å; S613-W617 PolarHBondContact O-N 2.97Å; R614-W617 PolarHBondContact O-N 3.09Å; E615-W617 VanDerWaalsContact C-N 3.34Å; E615-W617 PolarHBondContact O-N 2.91Å; W617-R619 PolarHBondContact O-N 3.42Å; W617-A620 WeakPolarHBondContact O-CB 3.46Å; W617-A620 PolarHBondContact O-N 3.44Å; W617-K621 PolarHBondContact O-N 3.21Å
618L90.2Very high89.2Confident89 Ų8958.6 Ų58.647%0.46629%0.285SS..Hα-helixtrans-62.5-41.1175-69.2172.1000112.1R614 E615 A620 K621 Q622R614-L618 HydrophobicContact CG-CD1 4.41Å; R614-L618 VanDerWaalsContact O-CG 3.3Å; R614-L618 WeakPolarHBondContact O-CG 3.22Å; R614-L618 PolarHBondContact O-N 2.95Å; E615-L618 PolarHBondContact O-N 3.37Å; L618-A620 VanDerWaalsContact C-N 3.35Å; L618-A620 PolarHBondContact O-N 2.89Å; L618-K621 PolarHBondContact O-N 2.9Å; L618-Q622 PolarHBondContact O-N 3.39Å
619R91.2Very high89.3Confident89 Ų8960.5 Ų60.534%0.33629%0.294SS..Hα-helixtrans-64.8-36175.2-175.5171174.3146.4-3.5112.6E367 E615 R616 W617 Q622 L623E367-R619 IonicContact OE1-CZ 3.36Å; E367-R619 IonicContact OE1-NE 3.11Å; E367-R619 IonicContact OE1-NH2 2.74Å; E367-R619 PolarHBondContact OE1-NH2 3.17Å; E615-R619 WeakPolarHBondContact O-CB 3.44Å; E615-R619 PolarHBondContact O-N 3.36Å; R616-R619 PolarHBondContact O-N 3.24Å; W617-R619 PolarHBondContact O-N 3.42Å; R619-Q622 PolarHBondContact O-N 3.32Å; R619-L623 HydrophobicContact CG-CD1 4.17Å; R619-L623 WeakPolarHBondContact O-CG 3.3Å; R619-L623 PolarHBondContact O-N 3.03Å
620A91.9Very high89.2Confident0 Ų058.6 Ų58.60%028%0.284CS..Hα-helixtrans-62.1-47.6173.300000111.1L596 V599 A600 L603 R616 W617 L618 Q622 L623 E624L596-A620 HydrophobicContact CD1-CB 3.91Å; V599-A620 HydrophobicContact CG1-CB 4.18Å; A600-A620 HydrophobicContact CB-CB 3.77Å; L603-A620 HydrophobicContact CD1-CB 3.7Å; R616-A620 WeakPolarHBondContact O-CB 3.35Å; R616-A620 PolarHBondContact O-N 3.27Å; W617-A620 WeakPolarHBondContact O-CB 3.46Å; W617-A620 PolarHBondContact O-N 3.44Å; L618-A620 VanDerWaalsContact C-N 3.35Å; L618-A620 PolarHBondContact O-N 2.89Å; A620-Q622 VanDerWaalsContact C-N 3.29Å; A620-Q622 PolarHBondContact O-N 2.83Å; A620-L623 PolarHBondContact O-N 2.83Å; A620-E624 WeakPolarHBondContact O-CB 3.2Å; A620-E624 PolarHBondContact O-N 2.94Å
621K90.3Very high89Confident54 Ų5457.2 Ų57.224%0.23527%0.274CS..Hα-helixtrans-58.4-39.3174.2-70.7-164.9-70.2-1790112.5D576 M580 L596 W617 L618 S625D576-K621 VanDerWaalsContact CG-NZ 3.31Å; D576-K621 IonicContact OD1-NZ 2.66Å; D576-K621 WeakPolarHBondContact OD2-CE 3.33Å; D576-K621 IonicContact OD2-NZ 3.33Å; D576-K621 PolarHBondContact OD2-NZ 2.93Å; M580-K621 HydrophobicContact SD-CD 3.89Å; L596-K621 HydrophobicContact CD1-CG 4.16Å; L596-K621 HydrophobicContact CD2-CD 4.47Å; L596-K621 HydrophobicContact CD2-CG 3.88Å; W617-K621 PolarHBondContact O-N 3.21Å; L618-K621 PolarHBondContact O-N 2.9Å; K621-S625 WeakPolarHBondContact O-CB 3.15Å; K621-S625 PolarHBondContact O-N 3.09Å
622Q91.9Very high88.5Confident125 Ų12560 Ų6058%0.58428%0.282SS*.Hα-helixtrans-65.4-47176.5-172.5-178.16.100112.3L618 R619 A620 E624 S625 L626L618-Q622 PolarHBondContact O-N 3.39Å; R619-Q622 PolarHBondContact O-N 3.32Å; A620-Q622 VanDerWaalsContact C-N 3.29Å; A620-Q622 PolarHBondContact O-N 2.83Å; Q622-E624 VanDerWaalsContact C-N 3.31Å; Q622-E624 PolarHBondContact O-N 3.44Å; Q622-S625 PolarHBondContact O-N 3.05Å; Q622-L626 HydrophobicContact CG-CD1 4.42Å; Q622-L626 WeakPolarHBondContact O-CG 3.39Å; Q622-L626 PolarHBondContact O-N 2.98Å
623L91.4Very high87.6Confident16 Ų1664.8 Ų64.88%0.08430%0.304CS..Hα-helixtrans-63.8-37.1178.6-74166.4000112.3L364 Y368 L603 R619 A620 R627L364-L623 HydrophobicContact CD1-CD2 3.51Å; Y368-L623 PolarHBondContact OH-O 2.99Å; L603-L623 HydrophobicContact CD1-CD1 3.65Å; L603-L623 HydrophobicContact CD2-CD1 3.62Å; L603-L623 HydrophobicContact CG-CD1 4.26Å; R619-L623 HydrophobicContact CG-CD1 4.17Å; R619-L623 WeakPolarHBondContact O-CG 3.3Å; R619-L623 PolarHBondContact O-N 3.03Å; A620-L623 PolarHBondContact O-N 2.83Å; L623-R627 WeakPolarHBondContact O-CB 3.23Å; L623-R627 PolarHBondContact O-N 2.86Å; L623-R627 VanDerWaalsContact O-N 3.08Å
624E89.8Confident86.3Confident18 Ų1865.7 Ų65.78%0.08431%0.305CS..Hα-helixtrans-69.8-40.3176.1177.256.1-166.100111.7Y368 L596 A620 Q622 R627 R628Y368-E624 PolarHBondContact OH-N 2.95Å; L596-E624 HydrophobicContact CD1-CB 4.3Å; A620-E624 WeakPolarHBondContact O-CB 3.2Å; A620-E624 PolarHBondContact O-N 2.94Å; Q622-E624 VanDerWaalsContact C-N 3.31Å; Q622-E624 PolarHBondContact O-N 3.44Å; E624-R627 VanDerWaalsContact CD-NH2 3.34Å; E624-R627 PolarHBondContact O-N 2.75Å; E624-R627 IonicContact OE1-CZ 2.73Å; E624-R627 IonicContact OE1-NE 3Å; E624-R627 IonicContact OE1-NH2 3.81Å; E624-R627 PolarHBondContact OE1-NH2 2.79Å; E624-R627 IonicContact OE2-CZ 3.13Å; E624-R627 IonicContact OE2-NE 3.64Å; E624-R627 PolarHBondContact OE2-NE 3.35Å; E624-R627 IonicContact OE2-NH2 3.26Å; E624-R627 PolarHBondContact OE2-NH2 3.02Å; E624-R627 VanDerWaalsContact OE2-NH2 3.13Å; E624-R628 WeakPolarHBondContact O-CG 3.37Å; E624-R628 PolarHBondContact O-N 2.92Å; E624-R628 IonicContact OE1-CZ 3.53Å; E624-R628 VanDerWaalsContact OE1-CZ 3.26Å; E624-R628 IonicContact OE1-NE 2.61Å; E624-R628 PolarHBondContact OE1-NE 3.15Å; E624-R628 IonicContact OE1-NH2 2.68Å; E624-R628 PolarHBondContact OE1-NH2 2.63Å
625S88.4Confident85.1Confident70 Ų7064.9 Ų64.949%0.4931%0.307SS..Hα-helixtrans-61.5-44173.5179.70000112.7K621 Q622 R627 R628 T629K621-S625 WeakPolarHBondContact O-CB 3.15Å; K621-S625 PolarHBondContact O-N 3.09Å; Q622-S625 PolarHBondContact O-N 3.05Å; S625-R627 VanDerWaalsContact C-N 3.35Å; S625-R627 PolarHBondContact O-N 2.71Å; S625-R628 PolarHBondContact O-N 3.37Å; S625-T629 WeakPolarHBondContact O-CB 3.27Å; S625-T629 PolarHBondContact O-N 3.24Å; S625-T629 PolarHBondContact O-OG1 3.04Å
626L89.5Confident83.2Confident84 Ų8462.9 Ų62.944%0.4431%0.306SS..Hα-helixtrans-61.4-42.6174.9-70.6170.6000111.7L364 Q622 T629 R630L364-L626 HydrophobicContact CD1-CB 4.42Å; L364-L626 HydrophobicContact CD2-CB 4.04Å; Q622-L626 HydrophobicContact CG-CD1 4.42Å; Q622-L626 WeakPolarHBondContact O-CG 3.39Å; Q622-L626 PolarHBondContact O-N 2.98Å; L626-T629 PolarHBondContact O-N 3.26Å; L626-R630 PolarHBondContact O-N 3.19Å; L626-R630 VanDerWaalsContact O-N 3.11Å
627R89.8Confident81.5Confident20 Ų2065.4 Ų65.48%0.07533%0.326CS..Hα-helixtrans-62.2-48.4175.9-172.6-171.373.396.7-6.1112Y368 C519 Q520 I521 L623 E624 S625 T629 R630 L631Y368-R627 HydrophobicContact CE2-CB 4.22Å; Y368-R627 HydrophobicContact CE2-CG 4.47Å; C519-R627 WeakPolarHBondContact SG-CD 3.24Å; Q520-R627 WeakPolarHBondContact O-CD 3.36Å; Q520-R627 PolarHBondContact O-NH1 3.06Å; I521-R627 HydrophobicContact CG1-CG 4.2Å; L623-R627 WeakPolarHBondContact O-CB 3.23Å; L623-R627 PolarHBondContact O-N 2.86Å; L623-R627 VanDerWaalsContact O-N 3.08Å; E624-R627 VanDerWaalsContact CD-NH2 3.34Å; E624-R627 PolarHBondContact O-N 2.75Å; E624-R627 IonicContact OE1-CZ 2.73Å; E624-R627 IonicContact OE1-NE 3Å; E624-R627 IonicContact OE1-NH2 3.81Å; E624-R627 PolarHBondContact OE1-NH2 2.79Å; E624-R627 IonicContact OE2-CZ 3.13Å; E624-R627 IonicContact OE2-NE 3.64Å; E624-R627 PolarHBondContact OE2-NE 3.35Å; E624-R627 IonicContact OE2-NH2 3.26Å; E624-R627 PolarHBondContact OE2-NH2 3.02Å; E624-R627 VanDerWaalsContact OE2-NH2 3.13Å; S625-R627 VanDerWaalsContact C-N 3.35Å; S625-R627 PolarHBondContact O-N 2.71Å; R627-T629 VanDerWaalsContact C-N 3.31Å; R627-T629 PolarHBondContact O-N 3.02Å; R627-R630 PolarHBondContact O-N 2.79Å; R627-L631 PolarHBondContact O-N 2.88Å; R627-L631 VanDerWaalsContact O-N 3.16Å
628R86Confident79.6Confident70 Ų7070 Ų7026%0.26435%0.35SS..Hα-helixtrans-59.5-42176.9-72.9-175.2-171.6-123.1-15.9111.6D592 E624 S625 R630 L631 Q632D592-R628 IonicContact OD1-CZ 3.38Å; D592-R628 IonicContact OD1-NH1 3.52Å; D592-R628 IonicContact OD1-NH2 2.68Å; D592-R628 PolarHBondContact OD1-NH2 2.86Å; E624-R628 WeakPolarHBondContact O-CG 3.37Å; E624-R628 PolarHBondContact O-N 2.92Å; E624-R628 IonicContact OE1-CZ 3.53Å; E624-R628 VanDerWaalsContact OE1-CZ 3.26Å; E624-R628 IonicContact OE1-NE 2.61Å; E624-R628 PolarHBondContact OE1-NE 3.15Å; E624-R628 IonicContact OE1-NH2 2.68Å; E624-R628 PolarHBondContact OE1-NH2 2.63Å; S625-R628 PolarHBondContact O-N 3.37Å; R628-R630 PolarHBondContact O-N 2.79Å; R628-L631 PolarHBondContact O-N 3.25Å; R628-Q632 WeakPolarHBondContact O-CG 3.24Å; R628-Q632 PolarHBondContact O-N 2.83Å
629T87Confident77.1Confident57 Ų5767.6 Ų67.635%0.3535%0.347SS..Hα-helixtrans-60.1-45177.3-56.60000111.7S625 L626 R627 L631 Q632 Q633S625-T629 WeakPolarHBondContact O-CB 3.27Å; S625-T629 PolarHBondContact O-N 3.24Å; S625-T629 PolarHBondContact O-OG1 3.04Å; L626-T629 PolarHBondContact O-N 3.26Å; R627-T629 VanDerWaalsContact C-N 3.31Å; R627-T629 PolarHBondContact O-N 3.02Å; T629-L631 PolarHBondContact O-N 3.14Å; T629-Q632 PolarHBondContact O-N 3.29Å; T629-Q633 WeakPolarHBondContact O-CG 3.45Å; T629-Q633 PolarHBondContact O-N 3.09Å
630R85.8Confident74.5Confident25 Ų2570.1 Ų70.19%0.09437%0.368CS..Hα-helixtrans-57.9-47.5174.1-80.7-170.6175.5173.84.1112.6D362 H522 L626 R627 R628 Q632 Q633 Q634D362-R630 VanDerWaalsContact CG-NH1 3.3Å; D362-R630 IonicContact OD1-CZ 3.92Å; D362-R630 IonicContact OD1-NH1 2.68Å; D362-R630 PolarHBondContact OD1-NH1 3.09Å; D362-R630 VanDerWaalsContact OD1-NH1 3.08Å; D362-R630 IonicContact OD1-NH2 2.89Å; D362-R630 PolarHBondContact OD1-NH2 3.23Å; D362-R630 IonicContact OD2-CZ 2.73Å; D362-R630 IonicContact OD2-NH1 3.73Å; D362-R630 PolarHBondContact OD2-NH1 3.3Å; D362-R630 IonicContact OD2-NH2 2.66Å; D362-R630 PolarHBondContact OD2-NH2 2.66Å; H522-R630 PolarHBondContact O-NH1 3.42Å; L626-R630 PolarHBondContact O-N 3.19Å; L626-R630 VanDerWaalsContact O-N 3.11Å; R627-R630 PolarHBondContact O-N 2.79Å; R628-R630 PolarHBondContact O-N 2.79Å; R630-Q632 VanDerWaalsContact C-N 3.33Å; R630-Q632 PolarHBondContact O-N 3.44Å; R630-Q633 PolarHBondContact O-N 3.02Å; R630-Q634 WeakPolarHBondContact O-CG 3.33Å; R630-Q634 PolarHBondContact O-N 2.8Å
631L81.7Confident71.8Confident32 Ų3278 Ų7817%0.16840%0.404CS..Hα-helixtrans-66.9-33.3-179.1-66.4173.8000112.6Q520 R627 R628 T629 K635Q520-L631 HydrophobicContact CG-CD2 4.14Å; R627-L631 PolarHBondContact O-N 2.88Å; R627-L631 VanDerWaalsContact O-N 3.16Å; R628-L631 PolarHBondContact O-N 3.25Å; T629-L631 PolarHBondContact O-N 3.14Å; L631-K635 PolarHBondContact O-N 3.19Å
632Q76.7Confident69Low123 Ų12386 Ų8658%0.57545%0.448SS*.Hα-helixtrans-68.1-45.2174.1-74.3174-7.200111.8R628 T629 R630 Q634 K635 C636R628-Q632 WeakPolarHBondContact O-CG 3.24Å; R628-Q632 PolarHBondContact O-N 2.83Å; T629-Q632 PolarHBondContact O-N 3.29Å; R630-Q632 VanDerWaalsContact C-N 3.33Å; R630-Q632 PolarHBondContact O-N 3.44Å; Q632-Q634 PolarHBondContact O-N 3.05Å; Q632-K635 PolarHBondContact O-N 2.83Å; Q632-K635 VanDerWaalsContact O-N 3.14Å; Q632-C636 PolarHBondContact O-N 3.19Å; Q632-C636 VanDerWaalsContact O-N 3.14Å; Q632-C636 PolarHBondContact O-SG 2.87Å
633Q70.6Confident67.8Low105 Ų10584 Ų8449%0.49144%0.441SS..Hα-helixtrans-55.4-41.7175.8-73.1171-7.400111.5T629 R630 C636 V637T629-Q633 WeakPolarHBondContact O-CG 3.45Å; T629-Q633 PolarHBondContact O-N 3.09Å; R630-Q633 PolarHBondContact O-N 3.02Å; Q633-C636 PolarHBondContact O-N 2.91Å; Q633-V637 WeakPolarHBondContact O-CG2 3.46Å; Q633-V637 PolarHBondContact O-N 2.55Å
634Q61.9Low66.6Low49 Ų4987.6 Ų87.623%0.22946%0.46CS..Hα-helixtrans-62.3-45.4175.3-66.9-130.3-73.100114H522 R630 Q632 C636 V637 N638H522-Q634 PolarHBondContact CD2-NE2 3Å; H522-Q634 VanDerWaalsContact CD2-NE2 3.33Å; H522-Q634 PolarHBondContact CE1-NE2 3.04Å; H522-Q634 PolarHBondContact CE1-OE1 2.97Å; H522-Q634 PolarHBondContact ND1-NE2 3.46Å; H522-Q634 PolarHBondContact ND1-OE1 2.97Å; H522-Q634 PolarHBondContact NE2-NE2 3.33Å; R630-Q634 WeakPolarHBondContact O-CG 3.33Å; R630-Q634 PolarHBondContact O-N 2.8Å; Q632-Q634 PolarHBondContact O-N 3.05Å; Q634-C636 PolarHBondContact O-N 2.97Å; Q634-V637 PolarHBondContact O-N 2.78Å; Q634-V637 VanDerWaalsContact O-N 3.11Å; Q634-N638 PolarHBondContact O-N 3.08Å; Q634-N638 PolarHBondContact O-OD1 2.86Å
635K61.3Low65.3Low165 Ų16591.4 Ų91.472%0.71748%0.481SS*.Hα-helixtrans-60-34.7177.7-72.8-178.4178.8-1770111.7L631 Q632 G639L631-K635 PolarHBondContact O-N 3.19Å; Q632-K635 PolarHBondContact O-N 2.83Å; Q632-K635 VanDerWaalsContact O-N 3.14Å; K635-G639 PolarHBondContact O-N 3.12Å
636C50.4Low64Low86 Ų8692.7 Ų92.758%0.58148%0.481SS*.Hα-helixtrans-73.1-33.2175.3-630000113.4Q632 Q633 Q634 N640Q632-C636 PolarHBondContact O-N 3.19Å; Q632-C636 VanDerWaalsContact O-N 3.14Å; Q632-C636 PolarHBondContact O-SG 2.87Å; Q633-C636 PolarHBondContact O-N 2.91Å; Q634-C636 PolarHBondContact O-N 2.97Å; C636-N640 PolarHBondContact O-ND2 3.16Å
637V54.2Low62.4Low91 Ų9193.3 Ų93.355%0.55248%0.483SS*.Hα-helixtrans-70.5-53.8175.6171.60000110.5Q633 Q634 G639 N640Q633-V637 WeakPolarHBondContact O-CG2 3.46Å; Q633-V637 PolarHBondContact O-N 2.55Å; Q634-V637 PolarHBondContact O-N 2.78Å; Q634-V637 VanDerWaalsContact O-N 3.11Å; V637-G639 PolarHBondContact O-N 2.96Å; V637-N640 PolarHBondContact O-N 2.94Å; V637-N640 VanDerWaalsContact O-N 3.1Å
638N51Low60.5Low101 Ų10198.1 Ų98.154%0.5451%0.51SS..Hα-helixtrans-67.8-22.6-178.7-61.818.8000112.6Q634 N640 E641Q634-N638 PolarHBondContact O-N 3.08Å; Q634-N638 PolarHBondContact O-OD1 2.86Å; N638-N640 PolarHBondContact O-N 3.04Å; N638-E641 PolarHBondContact O-N 3.43Å
639G38.9Very low58.7Low39 Ų39100.1 Ų100.140%0.40253%0.528SS..THydrogen-bonded Turntrans-73.2-11.9174.600000114.8K635 V637K635-G639 PolarHBondContact O-N 3.12Å; V637-G639 PolarHBondContact O-N 2.96Å
640N36.6Very low56.5Low143 Ų143103.5 Ų103.577%0.76554%0.542SS*.THydrogen-bonded Turntrans-97.73.7175.7-70.3-25000113.1C636 V637 N638C636-N640 PolarHBondContact O-ND2 3.16Å; V637-N640 PolarHBondContact O-N 2.94Å; V637-N640 VanDerWaalsContact O-N 3.1Å; N638-N640 PolarHBondContact O-N 3.04Å
641E35.5Very low54.1Low166 Ų166110 Ų11078%0.77658%0.579SS**  trans-107.240.4174.7-62.1-170.415000111.7N638N638-E641 PolarHBondContact O-N 3.43Å
642L30.2Very low51.6Low220 Ų220117.1 Ų117.1100%1.15262%0.616SS**  trans-100.10175.9-93.1167000112.2

Retrieved 642 of 642 residues in 1102.6 ms (Link to these results)

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