A0A3Q0KHP5_SCHMA Loading...

RecQ-mediated genome instability protein 1

Essential component of the RMI complex, a complex that plays an important role in the processing of homologous recombination intermediates to limit DNA crossover formation in cells. Promotes TOP3A binding to double Holliday junctions (DHJ) and hence stimulates TOP3A-mediated dissolution. Required for BLM phosphorylation during mitosis. Within the BLM complex, required for BLM and TOP3A stability.

AlphaFold DB , UniProt , Accession A0A3Q0KHP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 889 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
1M48.7Very low75.8Confident233 Ų23386.4 Ų86.4100%1.14848%0.479SS*.  0136.30-67.4168176.200107
2V56.9Low76.9Confident143 Ų14389.6 Ų89.687%0.86749%0.494SS*.PPolyproline II helixtrans-78.1118.5164.7179.80000106.2
3T68.3Low78Confident124 Ų12489.3 Ų89.376%0.76150%0.497SS*.PPolyproline II helixtrans-82.3118.3175.249.60000108.8F5T3-F5 PolarHBondContact O-N 2.79Å
4S79.7Confident79Confident20 Ų2083.1 Ų83.114%0.1446%0.463CS..PPolyproline II helixtrans-56.4134.6177.240.30000111.9I6 N10 N52S4-I6 VanDerWaalsContact C-N 3.34Å; S4-I6 PolarHBondContact O-N 3.04Å; S4-N10 PolarHBondContact O-ND2 3.28Å; S4-N10 VanDerWaalsContact O-ND2 3.14Å; S4-N52 WeakPolarHBondContact CB-OD1 3.14Å; S4-N52 PolarHBondContact OG-OD1 3.25Å
5F86.6Confident79.9Confident30 Ų3078.4 Ų78.413%0.13244%0.437CS..SBendtrans-66-38.8-174.4176.1-111.3000112T3 N10 Q17 L18 K56 W59T3-F5 PolarHBondContact O-N 2.79Å; F5-N10 PolarHBondContact O-ND2 2.84Å; F5-Q17 HydrophobicContact CE2-CB 4.42Å; F5-Q17 HydrophobicContact CZ-CB 4.01Å; F5-L18 HydrophobicContact CE1-CD1 4.02Å; F5-L18 HydrophobicContact CE1-CD2 4.03Å; F5-L18 HydrophobicContact CE1-CG 3.89Å; F5-L18 HydrophobicContact CZ-CG 4.3Å; F5-K56 HydrophobicContact CD1-CB 4.05Å; F5-K56 HydrophobicContact CD1-CG 4.32Å; F5-K56 HydrophobicContact CD2-CB 3.74Å; F5-K56 HydrophobicContact CD2-CD 4.35Å; F5-K56 HydrophobicContact CD2-CG 4.16Å; F5-K56 HydrophobicContact CE1-CB 4.18Å; F5-K56 HydrophobicContact CE1-CG 3.94Å; F5-K56 HydrophobicContact CE2-CB 3.89Å; F5-K56 HydrophobicContact CE2-CD 3.69Å; F5-K56 HydrophobicContact CE2-CG 3.77Å; F5-K56 HydrophobicContact CG-CB 3.83Å; F5-K56 HydrophobicContact CG-CG 4.43Å; F5-K56 HydrophobicContact CZ-CB 4.11Å; F5-K56 HydrophobicContact CZ-CD 3.86Å; F5-K56 HydrophobicContact CZ-CG 3.65Å; F5-W59 HydrophobicContact CD1-CB 4.01Å; F5-W59 AromaticContact CD1-CD1 3.76Å; F5-W59 HydrophobicContact CD1-CG 4.02Å; F5-W59 HydrophobicContact CE1-CB 4.24Å
6I84.8Confident80.7Confident0 Ų077.3 Ų77.30%044%0.441CS..SBendtrans-120.5133.6167.5-45.1-170.6000108.4S4 I11 L18 V38 I48 W59S4-I6 VanDerWaalsContact C-N 3.34Å; S4-I6 PolarHBondContact O-N 3.04Å; I6-I11 HydrophobicContact CG2-CB 4.11Å; I6-I11 HydrophobicContact CG2-CD1 4.44Å; I6-I11 HydrophobicContact CG2-CG1 3.86Å; I6-L18 HydrophobicContact CD1-CD1 3.7Å; I6-V38 HydrophobicContact CD1-CG1 3.75Å; I6-V38 HydrophobicContact CD1-CG2 3.94Å; I6-V38 HydrophobicContact CG2-CG1 4.11Å; I6-I48 HydrophobicContact CB-CD1 4.13Å; I6-I48 HydrophobicContact CG2-CD1 3.83Å; I6-W59 HydrophobicContact CB-CZ2 4.08Å; I6-W59 HydrophobicContact CD1-CD2 3.41Å; I6-W59 VanDerWaalsContact CD1-CD2 3.41Å; I6-W59 HydrophobicContact CD1-CE3 3.62Å; I6-W59 HydrophobicContact CD1-CG 3.88Å; I6-W59 HydrophobicContact CD1-CH2 4.12Å; I6-W59 HydrophobicContact CD1-CZ2 3.93Å; I6-W59 HydrophobicContact CD1-CZ3 3.97Å; I6-W59 HydrophobicContact CG1-CD2 3.96Å; I6-W59 HydrophobicContact CG1-CG 4.12Å; I6-W59 HydrophobicContact CG1-CZ2 4.23Å
7S81.1Confident81.5Confident18 Ų1877.2 Ų77.213%0.12644%0.436CS..  trans-151.1168.7176.569.30000109L9 N10 I11S7-L9 PolarHBondContact O-N 3.07Å; S7-L9 PolarHBondContact OG-N 3.46Å; S7-N10 WeakPolarHBondContact CB-OD1 3.33Å; S7-N10 PolarHBondContact N-OD1 3.11Å; S7-N10 PolarHBondContact O-N 3.16Å; S7-N10 PolarHBondContact O-OD1 2.69Å; S7-N10 VanDerWaalsContact OG-CG 3.3Å; S7-N10 PolarHBondContact OG-N 3.09Å; S7-N10 PolarHBondContact OG-OD1 2.74Å; S7-I11 WeakPolarHBondContact O-CB 3.49Å; S7-I11 PolarHBondContact O-N 3.1Å
8T77.5Confident82.3Confident103 Ų10373 Ų7363%0.63241%0.412SS*.THydrogen-bonded Turntrans-54-25.3173.651.80000114.1I48T8-I48 HydrophobicContact CG2-CG2 3.77Å
9L77.8Confident82.9Confident167 Ų16771.7 Ų71.787%0.87441%0.409SS*.THydrogen-bonded Turntrans-92.5-23-177.2-68.5170.8000114.5S7S7-L9 PolarHBondContact O-N 3.07Å; S7-L9 PolarHBondContact OG-N 3.46Å
10N85.1Confident83.5Confident50 Ų5076 Ų7627%0.26742%0.422SS..THydrogen-bonded Turntrans-127.38.7-17471.1-6.9000114.6S4 F5 S7 N12 T13 G14S4-N10 PolarHBondContact O-ND2 3.28Å; S4-N10 VanDerWaalsContact O-ND2 3.14Å; F5-N10 PolarHBondContact O-ND2 2.84Å; S7-N10 WeakPolarHBondContact CB-OD1 3.33Å; S7-N10 PolarHBondContact N-OD1 3.11Å; S7-N10 PolarHBondContact O-N 3.16Å; S7-N10 PolarHBondContact O-OD1 2.69Å; S7-N10 VanDerWaalsContact OG-CG 3.3Å; S7-N10 PolarHBondContact OG-N 3.09Å; S7-N10 PolarHBondContact OG-OD1 2.74Å; N10-N12 VanDerWaalsContact C-N 3.31Å; N10-N12 PolarHBondContact O-N 3.18Å; N10-N12 VanDerWaalsContact O-N 3.16Å; N10-T13 WeakPolarHBondContact O-CA 3.39Å; N10-T13 WeakPolarHBondContact O-CB 3.27Å; N10-T13 PolarHBondContact O-N 2.96Å; N10-G14 PolarHBondContact O-N 3.07Å
11I87Confident84.1Confident62 Ų6275.5 Ų75.532%0.31841%0.414SS..Hα-helixtrans-48.4-45.9-175-172.3165.2000114I6 S7 T13 G14 V15 V38I6-I11 HydrophobicContact CG2-CB 4.11Å; I6-I11 HydrophobicContact CG2-CD1 4.44Å; I6-I11 HydrophobicContact CG2-CG1 3.86Å; S7-I11 WeakPolarHBondContact O-CB 3.49Å; S7-I11 PolarHBondContact O-N 3.1Å; I11-T13 VanDerWaalsContact C-N 3.28Å; I11-T13 PolarHBondContact O-N 2.86Å; I11-G14 PolarHBondContact O-N 3.43Å; I11-V15 HydrophobicContact CG1-CG2 4.16Å; I11-V15 WeakPolarHBondContact O-CB 3.32Å; I11-V15 WeakPolarHBondContact O-CG2 3.31Å; I11-V15 PolarHBondContact O-N 3.38Å; I11-V38 HydrophobicContact CD1-CG1 4.3Å
12N89.9Confident86.3Confident125 Ų12564.4 Ų64.467%0.66836%0.36SS*.Hα-helixtrans-60.1-37.1178.9-62-24.3000112.5N10 A16N10-N12 VanDerWaalsContact C-N 3.31Å; N10-N12 PolarHBondContact O-N 3.18Å; N10-N12 VanDerWaalsContact O-N 3.16Å; N12-A16 VanDerWaalsContact O-CB 3.26Å; N12-A16 WeakPolarHBondContact O-CB 3.29Å; N12-A16 PolarHBondContact O-N 3.11Å
13T90.7Very high88.1Confident86 Ų8661.1 Ų61.153%0.52834%0.34SS..Hα-helixtrans-74.1-39.4178-52.10000111.2N10 I11 Q17N10-T13 WeakPolarHBondContact O-CA 3.39Å; N10-T13 WeakPolarHBondContact O-CB 3.27Å; N10-T13 PolarHBondContact O-N 2.96Å; I11-T13 VanDerWaalsContact C-N 3.28Å; I11-T13 PolarHBondContact O-N 2.86Å; T13-Q17 WeakPolarHBondContact O-CG 3.38Å; T13-Q17 PolarHBondContact O-N 3.18Å
14G91.4Very high89.3Confident2 Ų258.3 Ų58.32%0.02133%0.326CS..Hα-helixtrans-61.2-53.4173.500000111.7N10 I11 A16 Q17 L18N10-G14 PolarHBondContact O-N 3.07Å; I11-G14 PolarHBondContact O-N 3.43Å; G14-A16 VanDerWaalsContact C-N 3.33Å; G14-A16 PolarHBondContact O-N 3.17Å; G14-Q17 PolarHBondContact O-N 3.07Å; G14-Q17 VanDerWaalsContact O-N 3.11Å; G14-L18 WeakPolarHBondContact O-CG 3.41Å; G14-L18 PolarHBondContact O-N 2.87Å
15V93.1Very high90Very high13 Ų1360 Ų608%0.07933%0.331CS..Hα-helixtrans-56.6-43.5176.3170.10000111.7I11 Q17 L18 S19 I34 V38I11-V15 HydrophobicContact CG1-CG2 4.16Å; I11-V15 WeakPolarHBondContact O-CB 3.32Å; I11-V15 WeakPolarHBondContact O-CG2 3.31Å; I11-V15 PolarHBondContact O-N 3.38Å; V15-Q17 PolarHBondContact O-N 2.91Å; V15-L18 PolarHBondContact O-N 3.5Å; V15-S19 WeakPolarHBondContact O-CB 3.29Å; V15-S19 PolarHBondContact O-N 2.93Å; V15-I34 HydrophobicContact CG1-CB 4.22Å; V15-I34 HydrophobicContact CG1-CG2 3.93Å; V15-V38 HydrophobicContact CG2-CB 4.46Å; V15-V38 HydrophobicContact CG2-CG1 4.5Å; V15-V38 HydrophobicContact CG2-CG2 4.21Å
16A93.1Very high90.3Very high60 Ų6059.3 Ų59.350%0.49633%0.331SS..Hα-helixtrans-62.8-40176.400000112.8N12 G14 S19 F20N12-A16 VanDerWaalsContact O-CB 3.26Å; N12-A16 WeakPolarHBondContact O-CB 3.29Å; N12-A16 PolarHBondContact O-N 3.11Å; G14-A16 VanDerWaalsContact C-N 3.33Å; G14-A16 PolarHBondContact O-N 3.17Å; A16-S19 PolarHBondContact O-N 3.23Å; A16-F20 PolarHBondContact O-N 2.86Å
17Q94Very high90.8Very high77 Ų7759.4 Ų59.436%0.3633%0.331SS..Hα-helixtrans-69.2-32.9175.5-75.5-168.642.300113.2F5 T13 G14 V15 W21F5-Q17 HydrophobicContact CE2-CB 4.42Å; F5-Q17 HydrophobicContact CZ-CB 4.01Å; T13-Q17 WeakPolarHBondContact O-CG 3.38Å; T13-Q17 PolarHBondContact O-N 3.18Å; G14-Q17 PolarHBondContact O-N 3.07Å; G14-Q17 VanDerWaalsContact O-N 3.11Å; V15-Q17 PolarHBondContact O-N 2.91Å; Q17-W21 PolarHBondContact O-N 2.82Å; Q17-W21 VanDerWaalsContact O-N 3.08Å
18L95.3Very high91.3Very high1 Ų162.6 Ų62.61%0.00534%0.344CS..Hα-helixtrans-71.7-39.6174.6-68.9163.6000111.6F5 I6 G14 V15 F20 W21 L22 I34 V38 W59 I63F5-L18 HydrophobicContact CE1-CD1 4.02Å; F5-L18 HydrophobicContact CE1-CD2 4.03Å; F5-L18 HydrophobicContact CE1-CG 3.89Å; F5-L18 HydrophobicContact CZ-CG 4.3Å; I6-L18 HydrophobicContact CD1-CD1 3.7Å; G14-L18 WeakPolarHBondContact O-CG 3.41Å; G14-L18 PolarHBondContact O-N 2.87Å; V15-L18 PolarHBondContact O-N 3.5Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 3.42Å; L18-W21 PolarHBondContact O-N 2.9Å; L18-W21 VanDerWaalsContact O-N 3.17Å; L18-L22 PolarHBondContact O-N 2.92Å; L18-I34 HydrophobicContact CB-CG2 4.24Å; L18-V38 HydrophobicContact CD1-CG2 4.09Å; L18-W59 HydrophobicContact CD1-CB 4.46Å; L18-W59 HydrophobicContact CD2-CB 4.12Å; L18-I63 HydrophobicContact CB-CD1 4.37Å; L18-I63 HydrophobicContact CD1-CD1 3.48Å; L18-I63 VanDerWaalsContact CD1-CD1 3.48Å; L18-I63 HydrophobicContact CD2-CD1 4.09Å; L18-I63 HydrophobicContact CG-CD1 4.18Å
19S94.5Very high92.1Very high49 Ų4958.9 Ų58.934%0.34332%0.321SS..Hα-helixtrans-59.3-43.6172.1-175.10000112V15 A16 T23 I34V15-S19 WeakPolarHBondContact O-CB 3.29Å; V15-S19 PolarHBondContact O-N 2.93Å; A16-S19 PolarHBondContact O-N 3.23Å; S19-T23 WeakPolarHBondContact O-CB 3.49Å; S19-T23 PolarHBondContact O-N 2.76Å; S19-T23 PolarHBondContact O-OG1 3.44Å; S19-I34 VanDerWaalsContact CA-CD1 3.43Å
20F94.7Very high92.8Very high156 Ų15652.8 Ų52.868%0.68429%0.292SS*.Hα-helixtrans-62.9-40.6173.6-178.2-95.8000112.4A16 L18 T23 S24A16-F20 PolarHBondContact O-N 2.86Å; L18-F20 VanDerWaalsContact C-N 3.33Å; L18-F20 PolarHBondContact O-N 3.42Å; F20-T23 PolarHBondContact O-N 2.7Å; F20-S24 PolarHBondContact O-N 3.19Å
21W96.8Very high93.1Very high66 Ų6657 Ų5725%0.2532%0.322CS..Hα-helixtrans-67.9-42.4178.8-179.883.5000113.3Q17 L18 T23 S24 Q25 C60 Y64Q17-W21 PolarHBondContact O-N 2.82Å; Q17-W21 VanDerWaalsContact O-N 3.08Å; L18-W21 PolarHBondContact O-N 2.9Å; L18-W21 VanDerWaalsContact O-N 3.17Å; W21-T23 VanDerWaalsContact C-N 3.32Å; W21-T23 PolarHBondContact O-N 2.72Å; W21-S24 PolarHBondContact O-N 2.68Å; W21-S24 PolarHBondContact O-OG 2.89Å; W21-Q25 HydrophobicContact CZ2-CG 4.36Å; W21-Q25 PolarHBondContact O-N 3.46Å; W21-C60 HydrophobicContact CD2-CB 3.83Å; W21-C60 HydrophobicContact CE3-CB 3.81Å; W21-C60 VanDerWaalsContact CG-SG 3.59Å; W21-C60 HydrophobicContact CH2-CB 3.81Å; W21-C60 HydrophobicContact CZ2-CB 3.82Å; W21-C60 HydrophobicContact CZ3-CB 3.79Å; W21-C60 WeakPolarHBondContact CZ3-O 3.18Å; W21-Y64 HydrophobicContact CH2-CD2 4.46Å; W21-Y64 HydrophobicContact CH2-CG 4.36Å
22L95Very high93.3Very high1 Ų155.9 Ų55.91%0.00533%0.325CS..Hα-helixtrans-61.2-43.7172-71.3175.7000111.1L18 S24 Q25 A26 I27 V29 W33 I34 I63L18-L22 PolarHBondContact O-N 2.92Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.2Å; L22-Q25 CarbonylContact O-C 3.59Å; L22-Q25 WeakPolarHBondContact O-CA 3.46Å; L22-Q25 PolarHBondContact O-N 3.34Å; L22-A26 PolarHBondContact O-N 2.88Å; L22-I27 CarbonylContact C-O 3.38Å; L22-I27 HydrophobicContact CB-CB 4.2Å; L22-I27 HydrophobicContact CB-CG2 4.33Å; L22-I27 HydrophobicContact CD2-CB 4.25Å; L22-I27 HydrophobicContact CD2-CD1 4.07Å; L22-I27 HydrophobicContact CD2-CG2 4.02Å; L22-I27 WeakPolarHBondContact O-CB 3.45Å; L22-I27 PolarHBondContact O-N 3.03Å; L22-V29 HydrophobicContact CD1-CG2 4.16Å; L22-W33 HydrophobicContact CD1-CZ3 4.28Å; L22-I34 HydrophobicContact CD1-CD1 3.89Å; L22-I34 HydrophobicContact CD1-CG1 4.08Å; L22-I63 HydrophobicContact CD1-CG2 3.97Å
23T93.4Very high93.6Very high73 Ų7350.6 Ų50.645%0.44830%0.296SS..Hα-helixtrans-61.8-36.1177.4-51.80000111.8S19 F20 W21 Q25 A26S19-T23 WeakPolarHBondContact O-CB 3.49Å; S19-T23 PolarHBondContact O-N 2.76Å; S19-T23 PolarHBondContact O-OG1 3.44Å; F20-T23 PolarHBondContact O-N 2.7Å; W21-T23 VanDerWaalsContact C-N 3.32Å; W21-T23 PolarHBondContact O-N 2.72Å; T23-Q25 VanDerWaalsContact C-N 3.25Å; T23-Q25 PolarHBondContact O-N 2.82Å; T23-A26 PolarHBondContact O-N 2.85Å; T23-A26 VanDerWaalsContact O-N 3.11Å
24S94.6Very high93.8Very high66 Ų6646.9 Ų46.946%0.46227%0.273SS..Hα-helixtrans-74.6-11.9175.774.20000114.2F20 W21 L22F20-S24 PolarHBondContact O-N 3.19Å; W21-S24 PolarHBondContact O-N 2.68Å; W21-S24 PolarHBondContact O-OG 2.89Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 3.2Å
25Q93.5Very high93.9Very high56 Ų5650.6 Ų50.626%0.26229%0.292SS..THydrogen-bonded Turntrans-94.59.6167.1-64.1-55.8-49.400113.3W21 L22 T23 I27 C111 R227W21-Q25 HydrophobicContact CZ2-CG 4.36Å; W21-Q25 PolarHBondContact O-N 3.46Å; L22-Q25 CarbonylContact O-C 3.59Å; L22-Q25 WeakPolarHBondContact O-CA 3.46Å; L22-Q25 PolarHBondContact O-N 3.34Å; T23-Q25 VanDerWaalsContact C-N 3.25Å; T23-Q25 PolarHBondContact O-N 2.82Å; Q25-I27 HydrophobicContact CB-CD1 3.96Å; Q25-I27 HydrophobicContact CB-CG1 4.16Å; Q25-I27 PolarHBondContact O-N 3.32Å; Q25-C111 PolarHBondContact O-SG 3.37Å; Q25-R227 PolarHBondContact O-NH1 3.03Å
26A92.8Very high94Very high15 Ų1551.7 Ų51.712%0.12430%0.303CS..THydrogen-bonded Turntrans55.630.3-171.600000114L22 T23 E109 C111L22-A26 PolarHBondContact O-N 2.88Å; T23-A26 PolarHBondContact O-N 2.85Å; T23-A26 VanDerWaalsContact O-N 3.11Å; A26-E109 HydrophobicContact CB-CB 3.72Å; A26-E109 WeakPolarHBondContact CB-O 3.4Å; A26-C111 WeakPolarHBondContact O-CB 3.23Å; A26-C111 PolarHBondContact O-SG 3.05Å
27I95Very high94.1Very high1 Ų149 Ų491%0.00528%0.28CS..  trans-96.8117.2173.3-63.9168.6000108.4L22 Q25 V29 Y64 W67 C111L22-I27 CarbonylContact C-O 3.38Å; L22-I27 HydrophobicContact CB-CB 4.2Å; L22-I27 HydrophobicContact CB-CG2 4.33Å; L22-I27 HydrophobicContact CD2-CB 4.25Å; L22-I27 HydrophobicContact CD2-CD1 4.07Å; L22-I27 HydrophobicContact CD2-CG2 4.02Å; L22-I27 WeakPolarHBondContact O-CB 3.45Å; L22-I27 PolarHBondContact O-N 3.03Å; Q25-I27 HydrophobicContact CB-CD1 3.96Å; Q25-I27 HydrophobicContact CB-CG1 4.16Å; Q25-I27 PolarHBondContact O-N 3.32Å; I27-V29 HydrophobicContact CG2-CG1 4.18Å; I27-Y64 HydrophobicContact CD1-CD2 3.73Å; I27-Y64 HydrophobicContact CD1-CE2 3.83Å; I27-W67 HydrophobicContact CD1-CD2 4.21Å; I27-W67 HydrophobicContact CD1-CE3 3.82Å; I27-W67 HydrophobicContact CD1-CH2 4.42Å; I27-W67 HydrophobicContact CD1-CZ3 3.93Å; I27-W67 HydrophobicContact CG1-CD2 4.38Å; I27-W67 HydrophobicContact CG1-CE3 4.29Å; I27-W67 HydrophobicContact CG1-CH2 4.14Å; I27-W67 HydrophobicContact CG1-CZ2 4.23Å; I27-W67 HydrophobicContact CG1-CZ3 4.16Å; I27-W67 HydrophobicContact CG2-CD2 3.72Å; I27-W67 HydrophobicContact CG2-CE3 4.42Å; I27-W67 HydrophobicContact CG2-CG 3.84Å; I27-W67 HydrophobicContact CG2-CZ2 4.16Å; I27-C111 HydrophobicContact CG1-CB 4.24Å
28H91.7Very high94.1Very high85 Ų8545.3 Ų45.339%0.39426%0.263SS..  trans-105.8135.3176.7-66.1-91.3000110.3V79H28-V79 HydrophobicContact CB-CG1 3.73Å
29V94.2Very high94Very high26 Ų2647.3 Ų47.316%0.15828%0.279CS..  trans-139.6153.6-178.1-66.60000110.9L22 I27 W33 I34 L75L22-V29 HydrophobicContact CD1-CG2 4.16Å; I27-V29 HydrophobicContact CG2-CG1 4.18Å; V29-W33 HydrophobicContact CB-CB 4.34Å; V29-W33 HydrophobicContact CB-CD2 4.13Å; V29-W33 HydrophobicContact CB-CE3 3.84Å; V29-W33 HydrophobicContact CB-CG 4.35Å; V29-W33 HydrophobicContact CG1-CD2 4.18Å; V29-W33 HydrophobicContact CG1-CE3 3.78Å; V29-W33 HydrophobicContact CG1-CZ3 4.04Å; V29-W33 HydrophobicContact CG2-CE3 3.91Å; V29-I34 HydrophobicContact CG2-CD1 3.89Å; V29-I34 HydrophobicContact CG2-CG1 3.76Å; V29-L75 HydrophobicContact CG1-CD1 4.42Å
30P94.1Very high94Very high38 Ų3846.4 Ų46.425%0.24727%0.268CS..  trans-62.4150.7-179-26.837.4000114.1G32 W33 L75P30-G32 PolarHBondContact O-N 2.72Å; P30-W33 HydrophobicContact CB-CB 4.39Å; P30-W33 VanDerWaalsContact O-CB 3.24Å; P30-W33 WeakPolarHBondContact O-CB 3.35Å; P30-W33 PolarHBondContact O-N 2.88Å; P30-L75 HydrophobicContact CG-CB 4.17Å; P30-L75 WeakPolarHBondContact CG-O 3.39Å
31P90.5Very high93.9Very high139 Ų13939.2 Ų39.290%0.90324%0.237SC*.THydrogen-bonded Turntrans-56.2128.3170.8-23.233.8000111.4W33P31-W33 VanDerWaalsContact C-N 3.35Å
32G92Very high93.7Very high38 Ų3836.5 Ų36.539%0.39223%0.229SC..THydrogen-bonded Turntrans87.2-8.8-176.100000115.4P30 D35 A36P30-G32 PolarHBondContact O-N 2.72Å; G32-D35 VanDerWaalsContact CA-OD2 3.27Å; G32-D35 WeakPolarHBondContact CA-OD2 3.21Å; G32-A36 WeakPolarHBondContact O-CB 3.22Å; G32-A36 PolarHBondContact O-N 3.39Å; G32-A36 VanDerWaalsContact O-N 3.08Å
33W95.2Very high93.6Very high14 Ų1441.8 Ų41.85%0.05325%0.253CS..Hα-helixtrans-66.5-42.8177.6-178.389.1000111.8L22 V29 P30 P31 A36 C37 I63 Q66 W67 L75L22-W33 HydrophobicContact CD1-CZ3 4.28Å; V29-W33 HydrophobicContact CB-CB 4.34Å; V29-W33 HydrophobicContact CB-CD2 4.13Å; V29-W33 HydrophobicContact CB-CE3 3.84Å; V29-W33 HydrophobicContact CB-CG 4.35Å; V29-W33 HydrophobicContact CG1-CD2 4.18Å; V29-W33 HydrophobicContact CG1-CE3 3.78Å; V29-W33 HydrophobicContact CG1-CZ3 4.04Å; V29-W33 HydrophobicContact CG2-CE3 3.91Å; P30-W33 HydrophobicContact CB-CB 4.39Å; P30-W33 VanDerWaalsContact O-CB 3.24Å; P30-W33 WeakPolarHBondContact O-CB 3.35Å; P30-W33 PolarHBondContact O-N 2.88Å; P31-W33 VanDerWaalsContact C-N 3.35Å; W33-A36 PolarHBondContact O-N 3.45Å; W33-C37 HydrophobicContact CE3-CB 4.4Å; W33-C37 HydrophobicContact CH2-CB 4.34Å; W33-C37 HydrophobicContact CZ3-CB 4.28Å; W33-C37 VanDerWaalsContact O-CB 3.27Å; W33-C37 WeakPolarHBondContact O-CB 3.28Å; W33-C37 PolarHBondContact O-N 2.86Å; W33-I63 HydrophobicContact CH2-CG2 4.11Å; W33-I63 HydrophobicContact CZ3-CG2 3.72Å; W33-Q66 HydrophobicContact CH2-CB 4.4Å; W33-Q66 HydrophobicContact CZ2-CB 4.5Å; W33-W67 HydrophobicContact CH2-CB 3.88Å; W33-W67 HydrophobicContact CZ2-CB 4.42Å; W33-L75 HydrophobicContact CG-CD2 4.44Å
34I95.1Very high93.5Very high8 Ų842.4 Ų42.44%0.04125%0.251CS..Hα-helixtrans-66.5-41.8179.5-55.6172.4000110.3V15 L18 S19 L22 V29 A36 C37 V38 I63V15-I34 HydrophobicContact CG1-CB 4.22Å; V15-I34 HydrophobicContact CG1-CG2 3.93Å; L18-I34 HydrophobicContact CB-CG2 4.24Å; S19-I34 VanDerWaalsContact CA-CD1 3.43Å; L22-I34 HydrophobicContact CD1-CD1 3.89Å; L22-I34 HydrophobicContact CD1-CG1 4.08Å; V29-I34 HydrophobicContact CG2-CD1 3.89Å; V29-I34 HydrophobicContact CG2-CG1 3.76Å; I34-A36 VanDerWaalsContact C-N 3.33Å; I34-A36 PolarHBondContact O-N 3.34Å; I34-C37 PolarHBondContact O-N 3.48Å; I34-V38 HydrophobicContact CG2-CG2 4.28Å; I34-V38 WeakPolarHBondContact O-CB 3.43Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.89Å; I34-I63 HydrophobicContact CG2-CD1 4.39Å
35D94Very high93.2Very high80 Ų8043 Ų4343%0.42825%0.246SC..Hα-helixtrans-59.2-43.5176.1-48.3-111.9000111.5G32 A39G32-D35 VanDerWaalsContact CA-OD2 3.27Å; G32-D35 WeakPolarHBondContact CA-OD2 3.21Å; D35-A39 WeakPolarHBondContact O-CB 3.31Å; D35-A39 PolarHBondContact O-N 2.98Å
36A94Very high93Very high36 Ų3643.4 Ų43.430%0.29827%0.266SS..Hα-helixtrans-69.8-40.6176.100000112.7G32 W33 I34 A39 W40G32-A36 WeakPolarHBondContact O-CB 3.22Å; G32-A36 PolarHBondContact O-N 3.39Å; G32-A36 VanDerWaalsContact O-N 3.08Å; W33-A36 PolarHBondContact O-N 3.45Å; I34-A36 VanDerWaalsContact C-N 3.33Å; I34-A36 PolarHBondContact O-N 3.34Å; A36-A39 PolarHBondContact O-N 3.14Å; A36-W40 PolarHBondContact O-N 2.72Å
37C94.9Very high92.8Very high3 Ų344 Ų442%0.0227%0.273CS..Hα-helixtrans-63.7-44.9176.6-175.30000111.3W33 I34 W40 L41W33-C37 HydrophobicContact CE3-CB 4.4Å; W33-C37 HydrophobicContact CH2-CB 4.34Å; W33-C37 HydrophobicContact CZ3-CB 4.28Å; W33-C37 VanDerWaalsContact O-CB 3.27Å; W33-C37 WeakPolarHBondContact O-CB 3.28Å; W33-C37 PolarHBondContact O-N 2.86Å; I34-C37 PolarHBondContact O-N 3.48Å; C37-W40 PolarHBondContact O-N 3.17Å; C37-L41 VanDerWaalsContact O-CB 3.31Å; C37-L41 WeakPolarHBondContact O-CB 3.4Å; C37-L41 VanDerWaalsContact O-CG 3.29Å; C37-L41 WeakPolarHBondContact O-CG 2.96Å; C37-L41 PolarHBondContact O-N 2.95Å
38V94.5Very high92.3Very high1 Ų145.4 Ų45.41%0.00628%0.281CS..Hα-helixtrans-62.8-41.7174.8166.50000111.6I6 I11 V15 L18 I34 A42 W59 I63I6-V38 HydrophobicContact CD1-CG1 3.75Å; I6-V38 HydrophobicContact CD1-CG2 3.94Å; I6-V38 HydrophobicContact CG2-CG1 4.11Å; I11-V38 HydrophobicContact CD1-CG1 4.3Å; V15-V38 HydrophobicContact CG2-CB 4.46Å; V15-V38 HydrophobicContact CG2-CG1 4.5Å; V15-V38 HydrophobicContact CG2-CG2 4.21Å; L18-V38 HydrophobicContact CD1-CG2 4.09Å; I34-V38 HydrophobicContact CG2-CG2 4.28Å; I34-V38 WeakPolarHBondContact O-CB 3.43Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.89Å; V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.35Å; V38-A42 PolarHBondContact O-N 3.09Å; V38-W59 HydrophobicContact CB-CZ3 4.26Å; V38-W59 HydrophobicContact CG1-CH2 4.11Å; V38-W59 HydrophobicContact CG1-CZ3 4.01Å; V38-W59 HydrophobicContact CG2-CE3 4.31Å; V38-W59 HydrophobicContact CG2-CZ3 4.09Å; V38-I63 HydrophobicContact CG2-CD1 3.67Å
39A92.9Very high91.9Very high42 Ų4246.7 Ų46.735%0.34729%0.291SS..Hα-helixtrans-62.7-46.6176.300000112D35 A36 A42 E43D35-A39 WeakPolarHBondContact O-CB 3.31Å; D35-A39 PolarHBondContact O-N 2.98Å; A36-A39 PolarHBondContact O-N 3.14Å; A39-A42 PolarHBondContact O-N 2.77Å; A39-E43 WeakPolarHBondContact O-CG 3.22Å; A39-E43 PolarHBondContact O-N 3.29Å
40W94.4Very high91.6Very high30 Ų3047.5 Ų47.511%0.11430%0.3CS..Hα-helixtrans-66.5-43.7177.8177.482.2000112.7A36 C37 A42 E43 E44 Q66 L552 Q556A36-W40 PolarHBondContact O-N 2.72Å; C37-W40 PolarHBondContact O-N 3.17Å; W40-A42 VanDerWaalsContact C-N 3.25Å; W40-A42 PolarHBondContact O-N 3.18Å; W40-E43 WeakPolarHBondContact O-CB 3.39Å; W40-E43 PolarHBondContact O-N 2.71Å; W40-E43 VanDerWaalsContact O-N 3.11Å; W40-E44 HydrophobicContact CD2-CG 4Å; W40-E44 HydrophobicContact CE3-CG 4.3Å; W40-E44 HydrophobicContact CH2-CG 3.85Å; W40-E44 HydrophobicContact CZ2-CG 3.49Å; W40-E44 VanDerWaalsContact CZ2-CG 3.49Å; W40-E44 HydrophobicContact CZ3-CG 4.22Å; W40-E44 PolarHBondContact O-N 2.7Å; W40-Q66 VanDerWaalsContact CZ3-CD 3.42Å; W40-Q66 HydrophobicContact CZ3-CG 4.07Å; W40-L552 HydrophobicContact CB-CD1 4.05Å; W40-L552 HydrophobicContact CD2-CB 4.46Å; W40-L552 HydrophobicContact CD2-CD2 3.76Å; W40-L552 HydrophobicContact CE3-CD2 3.91Å; W40-L552 HydrophobicContact CG-CB 4.25Å; W40-L552 HydrophobicContact CG-CD1 4.09Å; W40-L552 HydrophobicContact CG-CD2 4.08Å; W40-L552 HydrophobicContact CG-CG 4.37Å; W40-L552 HydrophobicContact CZ3-CD2 4.39Å; W40-Q556 HydrophobicContact CZ2-CG 3.75Å
41L93.8Very high91.3Very high5 Ų545.7 Ų45.73%0.02629%0.288CS..Hα-helixtrans-59.3-38.4174.3-77.9169.9000111.4C37 H45 W59 L62 I63 Q66C37-L41 VanDerWaalsContact O-CB 3.31Å; C37-L41 WeakPolarHBondContact O-CB 3.4Å; C37-L41 VanDerWaalsContact O-CG 3.29Å; C37-L41 WeakPolarHBondContact O-CG 2.96Å; C37-L41 PolarHBondContact O-N 2.95Å; L41-H45 PolarHBondContact O-N 3.33Å; L41-H45 PolarHBondContact O-ND1 2.8Å; L41-W59 HydrophobicContact CB-CH2 4.3Å; L41-W59 HydrophobicContact CB-CZ3 3.78Å; L41-W59 HydrophobicContact CD1-CE3 4.34Å; L41-W59 HydrophobicContact CD1-CZ3 4.06Å; L41-L62 HydrophobicContact CD1-CB 3.8Å; L41-L62 HydrophobicContact CD2-CB 4Å; L41-L62 HydrophobicContact CD2-CD2 4.3Å; L41-I63 HydrophobicContact CD1-CG1 3.62Å; L41-Q66 HydrophobicContact CD2-CG 4.29Å
42A92.4Very high91Very high9 Ų942.3 Ų42.37%0.07426%0.262CS..Hα-helixtrans-67.1-42.4173.500000112.2V38 A39 W40 H45 G47 I48 W59V38-A42 VanDerWaalsContact O-CB 3.3Å; V38-A42 WeakPolarHBondContact O-CB 3.35Å; V38-A42 PolarHBondContact O-N 3.09Å; A39-A42 PolarHBondContact O-N 2.77Å; W40-A42 VanDerWaalsContact C-N 3.25Å; W40-A42 PolarHBondContact O-N 3.18Å; A42-H45 PolarHBondContact O-N 3.16Å; A42-G47 CarbonylContact O-C 3.34Å; A42-G47 WeakPolarHBondContact O-CA 3.39Å; A42-G47 PolarHBondContact O-N 3.1Å; A42-I48 HydrophobicContact CB-CB 4.24Å; A42-I48 HydrophobicContact CB-CD1 4.12Å; A42-W59 HydrophobicContact CB-CH2 4.41Å
43E92.4Very high90.8Very high112 Ų11247 Ų4752%0.52327%0.274SS..Hα-helixtrans-58.3-47.9174.7-74.6171.8-167.100111.4A39 W40 H45 G46 K549A39-E43 WeakPolarHBondContact O-CG 3.22Å; A39-E43 PolarHBondContact O-N 3.29Å; W40-E43 WeakPolarHBondContact O-CB 3.39Å; W40-E43 PolarHBondContact O-N 2.71Å; W40-E43 VanDerWaalsContact O-N 3.11Å; E43-H45 VanDerWaalsContact C-N 3.35Å; E43-H45 PolarHBondContact O-N 2.9Å; E43-G46 PolarHBondContact O-N 2.95Å; E43-G46 VanDerWaalsContact O-N 3.08Å; E43-K549 IonicContact OE2-NZ 3.85Å
44E91.1Very high90.6Very high87 Ų8747 Ų4741%0.40728%0.275SS..Hα-helixtrans-61.4-35.7179.1-74.8-65.1116.700114W40 G46 Q556W40-E44 HydrophobicContact CD2-CG 4Å; W40-E44 HydrophobicContact CE3-CG 4.3Å; W40-E44 HydrophobicContact CH2-CG 3.85Å; W40-E44 HydrophobicContact CZ2-CG 3.49Å; W40-E44 VanDerWaalsContact CZ2-CG 3.49Å; W40-E44 HydrophobicContact CZ3-CG 4.22Å; W40-E44 PolarHBondContact O-N 2.7Å; E44-G46 PolarHBondContact O-N 3.36Å; E44-Q556 PolarHBondContact OE1-NE2 3.08Å
45H88.7Confident90.4Very high77 Ų7750.2 Ų50.236%0.35630%0.295SS..THydrogen-bonded Turntrans-79.92.3177.9-72.282.3000113.4L41 A42 E43 A50L41-H45 PolarHBondContact O-N 3.33Å; L41-H45 PolarHBondContact O-ND1 2.8Å; A42-H45 PolarHBondContact O-N 3.16Å; E43-H45 VanDerWaalsContact C-N 3.35Å; E43-H45 PolarHBondContact O-N 2.9Å; H45-A50 WeakPolarHBondContact O-CB 3.23Å
46G88.8Confident90.3Very high66 Ų6650.2 Ų50.268%0.6829%0.291SS*.THydrogen-bonded Turntrans92.420.3-179.400000114.6E43 E44E43-G46 PolarHBondContact O-N 2.95Å; E43-G46 VanDerWaalsContact O-N 3.08Å; E44-G46 PolarHBondContact O-N 3.36Å
47G88.8Confident90.3Very high26 Ų2652.7 Ų52.727%0.26831%0.306SS..SBendtrans110.4161.7-179.600000113.4A42 D49 A50 C51A42-G47 CarbonylContact O-C 3.34Å; A42-G47 WeakPolarHBondContact O-CA 3.39Å; A42-G47 PolarHBondContact O-N 3.1Å; G47-D49 PolarHBondContact O-N 3.27Å; G47-A50 WeakPolarHBondContact O-CB 3.23Å; G47-A50 PolarHBondContact O-N 3.41Å; G47-C51 PolarHBondContact O-N 2.95Å; G47-C51 PolarHBondContact O-SG 3.21Å
48I85Confident90.3Very high32 Ų3255.6 Ų55.616%0.16432%0.322CS..THydrogen-bonded Turntrans-60.9-29.4-179.2-16962.8000112.6I6 T8 A42 A50 C51 W59I6-I48 HydrophobicContact CB-CD1 4.13Å; I6-I48 HydrophobicContact CG2-CD1 3.83Å; T8-I48 HydrophobicContact CG2-CG2 3.77Å; A42-I48 HydrophobicContact CB-CB 4.24Å; A42-I48 HydrophobicContact CB-CD1 4.12Å; I48-A50 VanDerWaalsContact C-N 3.33Å; I48-A50 PolarHBondContact O-N 2.93Å; I48-C51 HydrophobicContact CD1-CB 4.3Å; I48-C51 VanDerWaalsContact O-CB 3.32Å; I48-C51 WeakPolarHBondContact O-CB 3.46Å; I48-C51 PolarHBondContact O-N 3.11Å; I48-C51 VanDerWaalsContact O-N 3.15Å; I48-W59 HydrophobicContact CD1-CH2 4.44Å; I48-W59 HydrophobicContact CD1-CZ2 4.1Å
49D83.8Confident90.3Very high112 Ų11255.6 Ų55.660%0.59932%0.321SS*.THydrogen-bonded Turntrans-71.8-25.4177.7-62-52.2000113.3G47 N52G47-D49 PolarHBondContact O-N 3.27Å; D49-N52 WeakPolarHBondContact CA-ND2 3.41Å; D49-N52 WeakPolarHBondContact O-CB 3.45Å; D49-N52 PolarHBondContact O-ND2 3.25Å
50A87.2Confident90.4Very high43 Ų4353.9 Ų53.936%0.35531%0.307SS..G310 helixtrans-72.4-33.117000000111.1H45 G47 I48 N52 H53H45-A50 WeakPolarHBondContact O-CB 3.23Å; G47-A50 WeakPolarHBondContact O-CB 3.23Å; G47-A50 PolarHBondContact O-N 3.41Å; I48-A50 VanDerWaalsContact C-N 3.33Å; I48-A50 PolarHBondContact O-N 2.93Å; A50-N52 PolarHBondContact O-N 2.83Å; A50-N52 VanDerWaalsContact O-N 3.13Å; A50-H53 PolarHBondContact O-CE1 3.36Å; A50-H53 PolarHBondContact O-ND1 3.45Å
51C87.8Confident90.4Very high0 Ų057 Ų570%032%0.323CS..G310 helixtrans-70.2-1.3177.9-58.40000114.5G47 I48 H53 L54 W59G47-C51 PolarHBondContact O-N 2.95Å; G47-C51 PolarHBondContact O-SG 3.21Å; I48-C51 HydrophobicContact CD1-CB 4.3Å; I48-C51 VanDerWaalsContact O-CB 3.32Å; I48-C51 WeakPolarHBondContact O-CB 3.46Å; I48-C51 PolarHBondContact O-N 3.11Å; I48-C51 VanDerWaalsContact O-N 3.15Å; C51-H53 PolarHBondContact O-N 2.89Å; C51-L54 HydrophobicContact CB-CD1 4Å; C51-L54 WeakPolarHBondContact O-CB 3.38Å; C51-L54 PolarHBondContact O-N 3.45Å; C51-W59 HydrophobicContact CB-CZ2 3.73Å
52N84.9Confident90.5Very high67 Ų6759 Ų5936%0.35833%0.333SS..G310 helixtrans-58-18.1-178.6-84.4-49.6000114.5S4 D49 A50S4-N52 WeakPolarHBondContact CB-OD1 3.14Å; S4-N52 PolarHBondContact OG-OD1 3.25Å; D49-N52 WeakPolarHBondContact CA-ND2 3.41Å; D49-N52 WeakPolarHBondContact O-CB 3.45Å; D49-N52 PolarHBondContact O-ND2 3.25Å; A50-N52 PolarHBondContact O-N 2.83Å; A50-N52 VanDerWaalsContact O-N 3.13Å
53H87.8Confident90.7Very high136 Ų13658.6 Ų58.663%0.6333%0.33SS*.G310 helixtrans-85.3-15.817670.6-83.8000114.2A50 C51A50-H53 PolarHBondContact O-CE1 3.36Å; A50-H53 PolarHBondContact O-ND1 3.45Å; C51-H53 PolarHBondContact O-N 2.89Å
54L90.6Very high90.9Very high16 Ų1654.8 Ų54.88%0.08431%0.311CS..  trans-78.6125.3-176.1-62178.1000111.2C51 D58 W59 L62C51-L54 HydrophobicContact CB-CD1 4Å; C51-L54 WeakPolarHBondContact O-CB 3.38Å; C51-L54 PolarHBondContact O-N 3.45Å; L54-D58 HydrophobicContact CB-CB 4.25Å; L54-D58 HydrophobicContact CD2-CB 3.94Å; L54-W59 HydrophobicContact CD1-CZ2 4.27Å; L54-L62 HydrophobicContact CD1-CD1 3.92Å
55T91.4Very high91.1Very high74 Ų7453.9 Ų53.945%0.45431%0.307SS..  trans-77.4172.2174.576.30000111.3S57 D58 W59T55-S57 PolarHBondContact O-N 2.79Å; T55-S57 PolarHBondContact OG1-N 2.85Å; T55-S57 VanDerWaalsContact OG1-N 3.15Å; T55-D58 WeakPolarHBondContact CA-OD2 3.26Å; T55-D58 WeakPolarHBondContact CB-OD2 3.3Å; T55-D58 WeakPolarHBondContact CG2-OD2 3.25Å; T55-D58 PolarHBondContact N-OD2 3.42Å; T55-D58 PolarHBondContact O-N 3.1Å; T55-D58 PolarHBondContact OG1-N 3.15Å; T55-D58 PolarHBondContact OG1-OD2 2.72Å; T55-W59 VanDerWaalsContact O-CD1 3.31Å; T55-W59 PolarHBondContact O-N 3.47Å; T55-W59 VanDerWaalsContact O-N 3.14Å
56K92Very high91.4Very high80 Ų8051.6 Ų51.635%0.34830%0.296SS..Hα-helixtrans-55.3-36.2169.9-178.6171.3-178.41750112.6F5 C60F5-K56 HydrophobicContact CD1-CB 4.05Å; F5-K56 HydrophobicContact CD1-CG 4.32Å; F5-K56 HydrophobicContact CD2-CB 3.74Å; F5-K56 HydrophobicContact CD2-CD 4.35Å; F5-K56 HydrophobicContact CD2-CG 4.16Å; F5-K56 HydrophobicContact CE1-CB 4.18Å; F5-K56 HydrophobicContact CE1-CG 3.94Å; F5-K56 HydrophobicContact CE2-CB 3.89Å; F5-K56 HydrophobicContact CE2-CD 3.69Å; F5-K56 HydrophobicContact CE2-CG 3.77Å; F5-K56 HydrophobicContact CG-CB 3.83Å; F5-K56 HydrophobicContact CG-CG 4.43Å; F5-K56 HydrophobicContact CZ-CB 4.11Å; F5-K56 HydrophobicContact CZ-CD 3.86Å; F5-K56 HydrophobicContact CZ-CG 3.65Å; K56-C60 WeakPolarHBondContact O-CB 3.39Å; K56-C60 PolarHBondContact O-N 3.35Å; K56-C60 PolarHBondContact O-SG 2.99Å
57S93Very high91.8Very high88 Ų8848.6 Ų48.662%0.61526%0.264SS*.Hα-helixtrans-68-40.9-178.5-159.20000111.5T55 C60 Q61T55-S57 PolarHBondContact O-N 2.79Å; T55-S57 PolarHBondContact OG1-N 2.85Å; T55-S57 VanDerWaalsContact OG1-N 3.15Å; S57-C60 WeakPolarHBondContact O-CB 3.42Å; S57-C60 PolarHBondContact O-N 2.8Å; S57-Q61 PolarHBondContact O-N 2.94Å
58D94.3Very high92.2Very high65 Ų6547.7 Ų47.735%0.34825%0.253SS..Hα-helixtrans-67.5-42.5179.8-47.2-56.7000110.6L54 T55 C60 Q61 L62L54-D58 HydrophobicContact CB-CB 4.25Å; L54-D58 HydrophobicContact CD2-CB 3.94Å; T55-D58 WeakPolarHBondContact CA-OD2 3.26Å; T55-D58 WeakPolarHBondContact CB-OD2 3.3Å; T55-D58 WeakPolarHBondContact CG2-OD2 3.25Å; T55-D58 PolarHBondContact N-OD2 3.42Å; T55-D58 PolarHBondContact O-N 3.1Å; T55-D58 PolarHBondContact OG1-N 3.15Å; T55-D58 PolarHBondContact OG1-OD2 2.72Å; D58-C60 PolarHBondContact O-N 3.07Å; D58-Q61 PolarHBondContact O-N 2.94Å; D58-L62 WeakPolarHBondContact O-CB 3.3Å; D58-L62 VanDerWaalsContact O-CG 3.28Å; D58-L62 WeakPolarHBondContact O-CG 3.44Å; D58-L62 PolarHBondContact O-N 3.08Å
59W94.5Very high92.6Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-62.6-39.1172.5-82.1105.7000113.2F5 I6 L18 V38 L41 A42 I48 C51 L54 T55 I63F5-W59 HydrophobicContact CD1-CB 4.01Å; F5-W59 AromaticContact CD1-CD1 3.76Å; F5-W59 HydrophobicContact CD1-CG 4.02Å; F5-W59 HydrophobicContact CE1-CB 4.24Å; I6-W59 HydrophobicContact CB-CZ2 4.08Å; I6-W59 HydrophobicContact CD1-CD2 3.41Å; I6-W59 VanDerWaalsContact CD1-CD2 3.41Å; I6-W59 HydrophobicContact CD1-CE3 3.62Å; I6-W59 HydrophobicContact CD1-CG 3.88Å; I6-W59 HydrophobicContact CD1-CH2 4.12Å; I6-W59 HydrophobicContact CD1-CZ2 3.93Å; I6-W59 HydrophobicContact CD1-CZ3 3.97Å; I6-W59 HydrophobicContact CG1-CD2 3.96Å; I6-W59 HydrophobicContact CG1-CG 4.12Å; I6-W59 HydrophobicContact CG1-CZ2 4.23Å; L18-W59 HydrophobicContact CD1-CB 4.46Å; L18-W59 HydrophobicContact CD2-CB 4.12Å; V38-W59 HydrophobicContact CB-CZ3 4.26Å; V38-W59 HydrophobicContact CG1-CH2 4.11Å; V38-W59 HydrophobicContact CG1-CZ3 4.01Å; V38-W59 HydrophobicContact CG2-CE3 4.31Å; V38-W59 HydrophobicContact CG2-CZ3 4.09Å; L41-W59 HydrophobicContact CB-CH2 4.3Å; L41-W59 HydrophobicContact CB-CZ3 3.78Å; L41-W59 HydrophobicContact CD1-CE3 4.34Å; L41-W59 HydrophobicContact CD1-CZ3 4.06Å; A42-W59 HydrophobicContact CB-CH2 4.41Å; I48-W59 HydrophobicContact CD1-CH2 4.44Å; I48-W59 HydrophobicContact CD1-CZ2 4.1Å; C51-W59 HydrophobicContact CB-CZ2 3.73Å; L54-W59 HydrophobicContact CD1-CZ2 4.27Å; T55-W59 VanDerWaalsContact O-CD1 3.31Å; T55-W59 PolarHBondContact O-N 3.47Å; T55-W59 VanDerWaalsContact O-N 3.14Å; W59-I63 HydrophobicContact CE3-CD1 4.36Å; W59-I63 WeakPolarHBondContact O-CB 3.39Å; W59-I63 WeakPolarHBondContact O-CD1 3.35Å; W59-I63 VanDerWaalsContact O-CG1 3.27Å; W59-I63 WeakPolarHBondContact O-CG1 3.23Å; W59-I63 PolarHBondContact O-N 3.35Å
60C95.7Very high93.1Very high6 Ų644.1 Ų44.14%0.04123%0.233CC..Hα-helixtrans-61.4-47.3172.1-750000111.6W21 K56 S57 D58 Y64W21-C60 HydrophobicContact CD2-CB 3.83Å; W21-C60 HydrophobicContact CE3-CB 3.81Å; W21-C60 VanDerWaalsContact CG-SG 3.59Å; W21-C60 HydrophobicContact CH2-CB 3.81Å; W21-C60 HydrophobicContact CZ2-CB 3.82Å; W21-C60 HydrophobicContact CZ3-CB 3.79Å; W21-C60 WeakPolarHBondContact CZ3-O 3.18Å; K56-C60 WeakPolarHBondContact O-CB 3.39Å; K56-C60 PolarHBondContact O-N 3.35Å; K56-C60 PolarHBondContact O-SG 2.99Å; S57-C60 WeakPolarHBondContact O-CB 3.42Å; S57-C60 PolarHBondContact O-N 2.8Å; D58-C60 PolarHBondContact O-N 3.07Å; C60-Y64 VanDerWaalsContact O-CB 3.31Å; C60-Y64 WeakPolarHBondContact O-CB 3.29Å; C60-Y64 PolarHBondContact O-N 2.85Å
61Q95.3Very high93.5Very high96 Ų9642.7 Ų42.745%0.44922%0.22SC..Hα-helixtrans-63.6-49.9179.9-168.967.330.500111.5S57 D58 I63 Y64 E65S57-Q61 PolarHBondContact O-N 2.94Å; D58-Q61 PolarHBondContact O-N 2.94Å; Q61-I63 VanDerWaalsContact C-N 3.28Å; Q61-I63 PolarHBondContact O-N 3.43Å; Q61-Y64 WeakPolarHBondContact O-CB 3.28Å; Q61-Y64 PolarHBondContact O-N 3.4Å; Q61-Y64 VanDerWaalsContact O-N 3.1Å; Q61-E65 HydrophobicContact CG-CG 4.46Å; Q61-E65 PolarHBondContact NE2-OE1 2.89Å; Q61-E65 WeakPolarHBondContact O-CG 3.21Å; Q61-E65 PolarHBondContact O-N 3.3Å
62L95.2Very high93.9Very high46 Ų4643.1 Ų43.124%0.24122%0.222CC..Hα-helixtrans-57.2-40.9-179-73.2169.6000112.3L41 L54 D58 Q66L41-L62 HydrophobicContact CD1-CB 3.8Å; L41-L62 HydrophobicContact CD2-CB 4Å; L41-L62 HydrophobicContact CD2-CD2 4.3Å; L54-L62 HydrophobicContact CD1-CD1 3.92Å; D58-L62 WeakPolarHBondContact O-CB 3.3Å; D58-L62 VanDerWaalsContact O-CG 3.28Å; D58-L62 WeakPolarHBondContact O-CG 3.44Å; D58-L62 PolarHBondContact O-N 3.08Å; L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 2.89Å; L62-Q66 VanDerWaalsContact O-N 3.12Å
63I95.7Very high94.3Very high1 Ų144.4 Ų44.41%0.00522%0.224CC..Hα-helixtrans-74.2-34.2178.8-65.8170.9000111.4L18 L22 W33 I34 V38 L41 W59 Q61 Q66 W67L18-I63 HydrophobicContact CB-CD1 4.37Å; L18-I63 HydrophobicContact CD1-CD1 3.48Å; L18-I63 VanDerWaalsContact CD1-CD1 3.48Å; L18-I63 HydrophobicContact CD2-CD1 4.09Å; L18-I63 HydrophobicContact CG-CD1 4.18Å; L22-I63 HydrophobicContact CD1-CG2 3.97Å; W33-I63 HydrophobicContact CH2-CG2 4.11Å; W33-I63 HydrophobicContact CZ3-CG2 3.72Å; I34-I63 HydrophobicContact CG2-CD1 4.39Å; V38-I63 HydrophobicContact CG2-CD1 3.67Å; L41-I63 HydrophobicContact CD1-CG1 3.62Å; W59-I63 HydrophobicContact CE3-CD1 4.36Å; W59-I63 WeakPolarHBondContact O-CB 3.39Å; W59-I63 WeakPolarHBondContact O-CD1 3.35Å; W59-I63 VanDerWaalsContact O-CG1 3.27Å; W59-I63 WeakPolarHBondContact O-CG1 3.23Å; W59-I63 PolarHBondContact O-N 3.35Å; Q61-I63 VanDerWaalsContact C-N 3.28Å; Q61-I63 PolarHBondContact O-N 3.43Å; I63-Q66 PolarHBondContact O-N 3.3Å; I63-W67 PolarHBondContact O-N 3.08Å
64Y97Very high94.6Very high33 Ų3341.1 Ų41.113%0.12921%0.209CC..Hα-helixtrans-64.1-44.3172.4177.8-104.8000111.9W21 I27 C60 Q61 Q66 W67 L68 L257W21-Y64 HydrophobicContact CH2-CD2 4.46Å; W21-Y64 HydrophobicContact CH2-CG 4.36Å; I27-Y64 HydrophobicContact CD1-CD2 3.73Å; I27-Y64 HydrophobicContact CD1-CE2 3.83Å; C60-Y64 VanDerWaalsContact O-CB 3.31Å; C60-Y64 WeakPolarHBondContact O-CB 3.29Å; C60-Y64 PolarHBondContact O-N 2.85Å; Q61-Y64 WeakPolarHBondContact O-CB 3.28Å; Q61-Y64 PolarHBondContact O-N 3.4Å; Q61-Y64 VanDerWaalsContact O-N 3.1Å; Y64-Q66 VanDerWaalsContact C-N 3.34Å; Y64-Q66 PolarHBondContact O-N 3.45Å; Y64-W67 HydrophobicContact CD2-CE3 4.3Å; Y64-W67 HydrophobicContact CE2-CE3 4.2Å; Y64-W67 HydrophobicContact CE2-CZ3 4.22Å; Y64-W67 PolarHBondContact O-N 2.98Å; Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CD1-CG 4.28Å; Y64-L68 HydrophobicContact CE1-CD1 3.52Å; Y64-L68 HydrophobicContact CE1-CD2 4.37Å; Y64-L68 HydrophobicContact CE1-CG 3.94Å; Y64-L68 HydrophobicContact CE2-CD2 4.4Å; Y64-L68 HydrophobicContact CE2-CG 4.44Å; Y64-L68 WeakPolarHBondContact O-CG 3.35Å; Y64-L68 PolarHBondContact O-N 2.99Å; Y64-L257 WeakPolarHBondContact OH-CB 3.48Å; Y64-L257 PolarHBondContact OH-O 3.1Å
65E96Very high94.7Very high68 Ų6841 Ų4132%0.31821%0.209SC..Hα-helixtrans-60-41.6173.4-65.7-55.4151.700111.9Q61 W67 L68 H69Q61-E65 HydrophobicContact CG-CG 4.46Å; Q61-E65 PolarHBondContact NE2-OE1 2.89Å; Q61-E65 WeakPolarHBondContact O-CG 3.21Å; Q61-E65 PolarHBondContact O-N 3.3Å; E65-W67 VanDerWaalsContact C-N 3.34Å; E65-W67 PolarHBondContact O-N 3.48Å; E65-L68 PolarHBondContact O-N 2.73Å; E65-H69 PolarHBondContact O-N 2.91Å; E65-H69 PolarHBondContact O-ND1 3.5Å; E65-H69 IonicContact OE2-CE1 3.92Å
66Q94.8Very high94.7Very high29 Ų2940.1 Ų40.114%0.13621%0.209CC..Hα-helixtrans-65.2-36.3175.4-70.8-57.7-55.600112.6W33 W40 L41 L62 I63 Y64 S70W33-Q66 HydrophobicContact CH2-CB 4.4Å; W33-Q66 HydrophobicContact CZ2-CB 4.5Å; W40-Q66 VanDerWaalsContact CZ3-CD 3.42Å; W40-Q66 HydrophobicContact CZ3-CG 4.07Å; L41-Q66 HydrophobicContact CD2-CG 4.29Å; L62-Q66 WeakPolarHBondContact O-CG 3.3Å; L62-Q66 PolarHBondContact O-N 2.89Å; L62-Q66 VanDerWaalsContact O-N 3.12Å; I63-Q66 PolarHBondContact O-N 3.3Å; Y64-Q66 VanDerWaalsContact C-N 3.34Å; Y64-Q66 PolarHBondContact O-N 3.45Å; Q66-S70 PolarHBondContact O-N 3.41Å; Q66-S70 VanDerWaalsContact O-N 3.15Å; Q66-S70 PolarHBondContact O-OG 2.8Å
67W96.6Very high94.5Very high3 Ų337.7 Ų37.71%0.01120%0.202CC..Hα-helixtrans-69.1-39173.4176.379.2000112.4I27 W33 I63 Y64 E65 H69 S70 L72 C111 K225 L257I27-W67 HydrophobicContact CD1-CD2 4.21Å; I27-W67 HydrophobicContact CD1-CE3 3.82Å; I27-W67 HydrophobicContact CD1-CH2 4.42Å; I27-W67 HydrophobicContact CD1-CZ3 3.93Å; I27-W67 HydrophobicContact CG1-CD2 4.38Å; I27-W67 HydrophobicContact CG1-CE3 4.29Å; I27-W67 HydrophobicContact CG1-CH2 4.14Å; I27-W67 HydrophobicContact CG1-CZ2 4.23Å; I27-W67 HydrophobicContact CG1-CZ3 4.16Å; I27-W67 HydrophobicContact CG2-CD2 3.72Å; I27-W67 HydrophobicContact CG2-CE3 4.42Å; I27-W67 HydrophobicContact CG2-CG 3.84Å; I27-W67 HydrophobicContact CG2-CZ2 4.16Å; W33-W67 HydrophobicContact CH2-CB 3.88Å; W33-W67 HydrophobicContact CZ2-CB 4.42Å; I63-W67 PolarHBondContact O-N 3.08Å; Y64-W67 HydrophobicContact CD2-CE3 4.3Å; Y64-W67 HydrophobicContact CE2-CE3 4.2Å; Y64-W67 HydrophobicContact CE2-CZ3 4.22Å; Y64-W67 PolarHBondContact O-N 2.98Å; E65-W67 VanDerWaalsContact C-N 3.34Å; E65-W67 PolarHBondContact O-N 3.48Å; W67-H69 VanDerWaalsContact C-N 3.25Å; W67-H69 PolarHBondContact O-N 3.3Å; W67-S70 PolarHBondContact O-N 3.36Å; W67-L72 HydrophobicContact CZ2-CD2 4.3Å; W67-C111 HydrophobicContact CH2-CB 3.69Å; W67-C111 HydrophobicContact CZ2-CB 3.8Å; W67-K225 HydrophobicContact CE3-CG 4.41Å; W67-K225 HydrophobicContact CH2-CB 3.74Å; W67-K225 HydrophobicContact CH2-CD 4.16Å; W67-K225 HydrophobicContact CH2-CG 3.82Å; W67-K225 HydrophobicContact CZ2-CD 4.25Å; W67-K225 HydrophobicContact CZ2-CG 4.36Å; W67-K225 HydrophobicContact CZ3-CB 3.85Å; W67-K225 HydrophobicContact CZ3-CG 3.86Å; W67-L257 HydrophobicContact CH2-CD1 3.96Å; W67-L257 HydrophobicContact CZ3-CD1 3.91Å
68L96.8Very high94.3Very high7 Ų737.2 Ų37.24%0.03720%0.197CC..Hα-helixtrans-57.1-37.8176.2-80.7-174.1000112.5Y64 E65 K225 L257Y64-L68 HydrophobicContact CD1-CD1 4.02Å; Y64-L68 HydrophobicContact CD1-CG 4.28Å; Y64-L68 HydrophobicContact CE1-CD1 3.52Å; Y64-L68 HydrophobicContact CE1-CD2 4.37Å; Y64-L68 HydrophobicContact CE1-CG 3.94Å; Y64-L68 HydrophobicContact CE2-CD2 4.4Å; Y64-L68 HydrophobicContact CE2-CG 4.44Å; Y64-L68 WeakPolarHBondContact O-CG 3.35Å; Y64-L68 PolarHBondContact O-N 2.99Å; E65-L68 PolarHBondContact O-N 2.73Å; L68-K225 HydrophobicContact CD2-CB 3.84Å; L68-K225 HydrophobicContact CD2-CG 3.85Å; L68-K225 PolarHBondContact O-NZ 2.77Å; L68-L257 HydrophobicContact CD2-CB 4.03Å
69H94.9Very high94Very high58 Ų5835.5 Ų35.527%0.26919%0.188SC..Hα-helixtrans-93.8-4.8-179.4-5986.9000114.3E65 W67 E260 L555E65-H69 PolarHBondContact O-N 2.91Å; E65-H69 PolarHBondContact O-ND1 3.5Å; E65-H69 IonicContact OE2-CE1 3.92Å; W67-H69 VanDerWaalsContact C-N 3.25Å; W67-H69 PolarHBondContact O-N 3.3Å; H69-E260 WeakPolarHBondContact CA-O 3.44Å; H69-E260 PolarHBondContact CD2-O 3.04Å; H69-L555 HydrophobicContact CB-CD2 4.24Å
70S94.5Very high93.5Very high10 Ų1036 Ų367%0.0719%0.191CC..SBendtrans-76.6140.6174.3-66.90000111.7Q66 W67 Q113 K225Q66-S70 PolarHBondContact O-N 3.41Å; Q66-S70 VanDerWaalsContact O-N 3.15Å; Q66-S70 PolarHBondContact O-OG 2.8Å; W67-S70 PolarHBondContact O-N 3.36Å; S70-Q113 PolarHBondContact O-OE1 2.87Å; S70-K225 WeakPolarHBondContact O-CE 3.27Å; S70-K225 PolarHBondContact O-NZ 2.81Å
71D95.3Very high92.5Very high13 Ų1337.1 Ų37.17%0.0720%0.198CC..  trans-76.9121.1168.1-172.9-2.2000110.6K73 Q74 L75 Q113 V261D71-K73 PolarHBondContact O-N 2.88Å; D71-K73 WeakPolarHBondContact OD1-CB 3.46Å; D71-K73 PolarHBondContact OD1-N 2.74Å; D71-Q74 HydrophobicContact CB-CB 4.29Å; D71-Q74 HydrophobicContact CB-CG 3.99Å; D71-Q74 WeakPolarHBondContact O-CB 3.01Å; D71-Q74 PolarHBondContact O-N 2.92Å; D71-L75 PolarHBondContact O-N 3.09Å; D71-L75 VanDerWaalsContact O-N 3.12Å; D71-Q113 PolarHBondContact OD1-NE2 2.79Å; D71-Q113 PolarHBondContact OD1-OE1 2.89Å; D71-V261 HydrophobicContact CB-CG1 3.8Å; D71-V261 HydrophobicContact CB-CG2 4.4Å
72L95.6Very high90.9Very high10 Ų1035.8 Ų35.85%0.05220%0.199CC..Hα-helixtrans-59.5-27.9173.9-60.7-169000112.5W67 Q74 L75 A76 Q113 G191 K225W67-L72 HydrophobicContact CZ2-CD2 4.3Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 2.98Å; L72-L75 HydrophobicContact CD2-CD1 3.93Å; L72-L75 CarbonylContact O-C 3.36Å; L72-L75 PolarHBondContact O-N 3.18Å; L72-L75 VanDerWaalsContact O-N 3.13Å; L72-A76 PolarHBondContact O-N 3.36Å; L72-Q113 HydrophobicContact CB-CB 4.24Å; L72-Q113 HydrophobicContact CD1-CB 3.62Å; L72-Q113 HydrophobicContact CG-CB 3.79Å; L72-G191 VanDerWaalsContact C-CA 3.48Å; L72-G191 VanDerWaalsContact O-CA 3.25Å; L72-G191 WeakPolarHBondContact O-CA 3.47Å; L72-K225 HydrophobicContact CG-CD 4.42Å
73K94Very high88.9Confident93 Ų9337 Ų3740%0.40421%0.209SC..Hα-helixtrans-68.6-26174.7-63.9-173.5175.3-1690113.1D71 T189 E194D71-K73 PolarHBondContact O-N 2.88Å; D71-K73 WeakPolarHBondContact OD1-CB 3.46Å; D71-K73 PolarHBondContact OD1-N 2.74Å; K73-T189 HydrophobicContact CG-CG2 4.39Å; K73-E194 WeakPolarHBondContact CE-OE1 3.47Å; K73-E194 IonicContact NZ-OE1 2.72Å; K73-E194 PolarHBondContact NZ-OE1 3.38Å
74Q93.1Very high86.4Confident68 Ų6844 Ų4432%0.31825%0.245SC..Hα-helixtrans-79.2-31.5168.6-64.1-175.821.200111.9D71 L72 E263 T551D71-Q74 HydrophobicContact CB-CB 4.29Å; D71-Q74 HydrophobicContact CB-CG 3.99Å; D71-Q74 WeakPolarHBondContact O-CB 3.01Å; D71-Q74 PolarHBondContact O-N 2.92Å; L72-Q74 VanDerWaalsContact C-N 3.29Å; L72-Q74 PolarHBondContact O-N 2.98Å; Q74-E263 PolarHBondContact NE2-OE1 3.24Å; Q74-E263 PolarHBondContact NE2-OE2 2.84Å; Q74-T551 PolarHBondContact OE1-OG1 3.15Å
75L93Very high83.4Confident13 Ų1346.5 Ų46.57%0.06827%0.268CS..Hα-helixtrans-74.7-30175.1-58.6-170000113.4V29 P30 W33 D71 L72 C77V29-L75 HydrophobicContact CG1-CD1 4.42Å; P30-L75 HydrophobicContact CG-CB 4.17Å; P30-L75 WeakPolarHBondContact CG-O 3.39Å; W33-L75 HydrophobicContact CG-CD2 4.44Å; D71-L75 PolarHBondContact O-N 3.09Å; D71-L75 VanDerWaalsContact O-N 3.12Å; L72-L75 HydrophobicContact CD2-CD1 3.93Å; L72-L75 CarbonylContact O-C 3.36Å; L72-L75 PolarHBondContact O-N 3.18Å; L72-L75 VanDerWaalsContact O-N 3.13Å; L75-C77 VanDerWaalsContact C-N 3.33Å; L75-C77 PolarHBondContact O-N 2.73Å
76A91.3Very high80.4Confident55 Ų5549 Ų4946%0.45529%0.288SS..THydrogen-bonded Turntrans47.547.9177.600000114L72 P78 V192L72-A76 PolarHBondContact O-N 3.36Å; A76-P78 VanDerWaalsContact O-CD 3.27Å; A76-P78 WeakPolarHBondContact O-CD 3.42Å; A76-V192 HydrophobicContact CB-CG2 4.2Å
77C87.9Confident77.4Confident30 Ų3051.8 Ų51.820%0.20331%0.311CS..  trans-106.194.4-175.1-160.50000110.8L75 V79L75-C77 VanDerWaalsContact C-N 3.33Å; L75-C77 PolarHBondContact O-N 2.73Å; C77-V79 PolarHBondContact O-N 3.22Å
78P88.6Confident74.1Confident78 Ų7862.8 Ų62.851%0.50635%0.352SS..  trans-70.1121.4-172.928.1-33.7000111.5A76 D190 V192A76-P78 VanDerWaalsContact O-CD 3.27Å; A76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-D190 WeakPolarHBondContact CA-OD2 3.43Å; P78-V192 HydrophobicContact CB-CB 4.14Å; P78-V192 HydrophobicContact CB-CG1 4.46Å; P78-V192 HydrophobicContact CB-CG2 4.1Å; P78-V192 HydrophobicContact CG-CG2 4.41Å
79V87.4Confident70.9Confident29 Ų2967.1 Ų67.118%0.17638%0.375CS..  trans-121.8-13.5174-57.20000113H28 C77 L110 L112 D190H28-V79 HydrophobicContact CB-CG1 3.73Å; C77-V79 PolarHBondContact O-N 3.22Å; V79-L110 HydrophobicContact CB-CD2 4.17Å; V79-L110 HydrophobicContact CG2-CD2 4.16Å; V79-L112 HydrophobicContact CG2-CD2 3.85Å; V79-D190 HydrophobicContact CG2-CB 3.67Å; V79-D190 PolarHBondContact N-OD2 2.89Å
80L85.8Confident68.1Low9 Ų970 Ų705%0.04740%0.399CS..SBendtrans-81.5144.8174.5-69164.3000110.8S82 L112 D190 N193 I195L80-S82 PolarHBondContact O-N 2.92Å; L80-L112 HydrophobicContact CD1-CD1 4.46Å; L80-L112 HydrophobicContact CD1-CD2 4.03Å; L80-L112 HydrophobicContact CD2-CD1 4.03Å; L80-L112 HydrophobicContact CD2-CD2 4.2Å; L80-L112 HydrophobicContact CG-CD2 3.95Å; L80-D190 WeakPolarHBondContact CB-OD2 3.49Å; L80-D190 HydrophobicContact CD1-CB 4.08Å; L80-D190 HydrophobicContact CG-CB 4.18Å; L80-D190 PolarHBondContact N-OD2 2.92Å; L80-N193 HydrophobicContact CB-CB 4.06Å; L80-N193 HydrophobicContact CD1-CB 4Å; L80-I195 HydrophobicContact CD1-CG1 4.05Å; L80-I195 HydrophobicContact CD1-CG2 4.12Å; L80-I195 HydrophobicContact CD2-CD1 3.75Å; L80-I195 HydrophobicContact CD2-CG1 4.17Å; L80-I195 HydrophobicContact CD2-CG2 4.22Å
81P72.7Confident65.4Low30 Ų3077.4 Ų77.420%0.19543%0.432CS..  trans-62.2117.7175.2-23.134.2000111.9T83 L104 L106P81-T83 PolarHBondContact O-N 2.99Å; P81-L104 HydrophobicContact CB-CD2 4Å; P81-L104 HydrophobicContact CG-CD2 4.11Å; P81-L106 HydrophobicContact CG-CD2 3.93Å
82S62.8Low62.7Low68 Ų6882.8 Ų82.848%0.47646%0.461SS..  trans-67.888.6178.7-52.30000112.1L80 L84L80-S82 PolarHBondContact O-N 2.92Å; S82-L84 PolarHBondContact O-N 3.39Å
83T52.7Low59.8Low71 Ų7189.2 Ų89.244%0.43650%0.496SS..THydrogen-bonded Turntrans-70.33.917952.40000114.7P81 N237P81-T83 PolarHBondContact O-N 2.99Å; T83-N237 WeakPolarHBondContact CB-OD1 3.36Å; T83-N237 WeakPolarHBondContact CG2-OD1 3.42Å; T83-N237 PolarHBondContact OG1-ND2 2.75Å; T83-N237 PolarHBondContact OG1-OD1 3.11Å
84L44.5Very low57.2Low148 Ų14890 Ų9078%0.77551%0.513SS*.THydrogen-bonded Turntrans-130.121.2-162.7-77.6159.6000114.2S82S82-L84 PolarHBondContact O-N 3.39Å
85S33.8Very low54.1Low86 Ų8695.4 Ų95.460%0.60154%0.535SS*.  trans-151.837-177.955.20000117.9S87S85-S87 VanDerWaalsContact C-N 3.31Å; S85-S87 PolarHBondContact O-N 2.77Å
86T31.7Very low51.2Low122 Ų12299 Ų9975%0.74856%0.561SS**  trans-68.295153.4-57.30000108.2R88 I99T86-R88 PolarHBondContact O-N 2.98Å; T86-I99 HydrophobicContact CG2-CD1 4.4Å
87S31.9Very low48.2Very low87 Ų87104.2 Ų104.261%0.60858%0.582SS**  trans-56.1121.3-179.6-175.50000110.5S85 N89S85-S87 VanDerWaalsContact C-N 3.31Å; S85-S87 PolarHBondContact O-N 2.77Å; S87-N89 PolarHBondContact O-N 3.46Å; S87-N89 PolarHBondContact OG-OD1 2.87Å
88R27.9Very low45.5Very low234 Ų234107.1 Ų107.188%0.88360%0.599SS**  trans-77.567.2172.3-169.7-173.6-70.4170.4-3.1109.5T86 P90T86-R88 PolarHBondContact O-N 2.98Å; R88-P90 WeakPolarHBondContact O-CD 3.1Å
89N30.1Very low42.9Very low97 Ų97109.5 Ų109.552%0.51961%0.606SS.*  trans-60.6115.3168-75.97.7000107.9S87 H91S87-N89 PolarHBondContact O-N 3.46Å; S87-N89 PolarHBondContact OG-OD1 2.87Å; N89-H91 PolarHBondContact O-N 3.41Å
90P36.6Very low40.6Very low119 Ų119115.2 Ų115.277%0.77364%0.636SS**THydrogen-bonded Turntrans-73.314.8-167-21.535.2000116.8R88R88-P90 WeakPolarHBondContact O-CD 3.1Å
91H37.7Very low38.7Very low166 Ų166119.3 Ų119.377%0.76967%0.665SS**THydrogen-bonded Turntrans-137-15.1-164-96.4-78000117.1N89 N93N89-H91 PolarHBondContact O-N 3.41Å; H91-N93 PolarHBondContact O-N 2.97Å
92D37.4Very low38.4Very low125 Ų125121.1 Ų121.167%0.66868%0.677SS**  trans-90.985-178.2-71.4-53.3000111.6S94D92-S94 PolarHBondContact O-N 2.96Å
93N34.6Very low39Very low146 Ų146119.7 Ų119.778%0.78167%0.669SS**  trans-72.348.6177.3-80.7-24.1000113.7H91 F95H91-N93 PolarHBondContact O-N 2.97Å; N93-F95 PolarHBondContact O-N 3.32Å
94S38.8Very low40.4Very low109 Ų109118.7 Ų118.776%0.76266%0.661SS**  trans-94.688.8173.2-166.20000110.2D92 S96D92-S94 PolarHBondContact O-N 2.96Å; S94-S96 PolarHBondContact O-N 3.47Å; S94-S96 VanDerWaalsContact O-N 3.15Å
95F29.1Very low42.3Very low181 Ų181117.5 Ų117.579%0.79465%0.649SS**  trans-66110.2-177.7-79.5-103000111.8N93N93-F95 PolarHBondContact O-N 3.32Å
96S31.7Very low44.7Very low88 Ų88114 Ų11462%0.61562%0.623SS**  trans-131.4130.4159.175.90000110.3S94 T98S94-S96 PolarHBondContact O-N 3.47Å; S94-S96 VanDerWaalsContact O-N 3.15Å; S96-T98 PolarHBondContact O-N 2.89Å
97N29Very low47.2Very low165 Ų165111.6 Ų111.688%0.88261%0.606SS**  trans-81.160.5-169.3-68.4-16.7000112.3
98T31.6Very low49.9Very low92 Ų92109.9 Ų109.956%0.56460%0.602SS**  trans-127.433.9-169.7-27.60000113.7S96S96-T98 PolarHBondContact O-N 2.89Å
99I32.7Very low53Low127 Ų127102 Ų10265%0.65158%0.576SS**  trans-133.496.5176.2-54.1174.3000108.1T86T86-I99 HydrophobicContact CG2-CD1 4.4Å
100N39.9Very low55.9Low150 Ų15098.2 Ų98.280%0.80256%0.555SS**  trans176.513.8159.6-97.7-19.6000116.5P102N100-P102 WeakPolarHBondContact O-CD 3.12Å
101S46Very low58.7Low95 Ų9593 Ų9366%0.66452%0.521SS*.  trans-90.2100.7175.854.10000112A103S101-A103 PolarHBondContact O-N 3.45Å; S101-A103 VanDerWaalsContact O-N 3.11Å
102P66Low61.5Low68 Ų6885 Ų8544%0.44248%0.484SS..  trans-77.18.3-177.635.2-40.3000114N100 R235 N236N100-P102 WeakPolarHBondContact O-CD 3.12Å; P102-R235 CarbonylContact O-C 3.4Å; P102-R235 WeakPolarHBondContact O-CA 3.22Å; P102-N236 PolarHBondContact O-N 2.83Å
103A74.9Confident64.4Low37 Ų3779.1 Ų79.131%0.30645%0.453SS..EExtended strand (participates in β ladder)trans-131.5131.6179.500000110.5S101 L233 L234 R235S101-A103 PolarHBondContact O-N 3.45Å; S101-A103 VanDerWaalsContact O-N 3.11Å; A103-L233 HydrophobicContact CB-CD1 4.24Å; A103-L234 CarbonylContact C-O 3.24Å; A103-L234 VanDerWaalsContact CA-O 3.32Å; A103-L234 WeakPolarHBondContact CA-O 3Å; A103-R235 HydrophobicContact CB-CB 4.04Å; A103-R235 HydrophobicContact CB-CG 4Å
104L81.8Confident67.3Low51 Ų5172.2 Ų72.227%0.26742%0.416SS..EExtended strand (participates in β ladder)trans-112.7148.5167.7-83.377.9000109.4P81 L234P81-L104 HydrophobicContact CB-CD2 4Å; P81-L104 HydrophobicContact CG-CD2 4.11Å; L104-L234 PolarHBondContact N-O 2.8Å; L104-L234 PolarHBondContact O-N 3.16Å
105K84.7Confident69.9Low122 Ų12268.2 Ų68.253%0.5339%0.387SS..EExtended strand (participates in β ladder)trans-90.7117.3164.2-175.7172.2176.2-73.50107.4D107 P231K105-D107 IonicContact NZ-OD1 3.1Å; K105-D107 PolarHBondContact NZ-OD1 2.8Å; K105-D107 IonicContact NZ-OD2 3.96Å; K105-D107 PolarHBondContact NZ-OD2 3.14Å; K105-P231 HydrophobicContact CG-CB 4.45Å
106L84.1Confident72.9Confident12 Ų1260.3 Ų60.36%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-83.8115.5170.4-60.9-173.1000108.2P81 L110 G230 P231 L232 L234 L239P81-L106 HydrophobicContact CG-CD2 3.93Å; L106-L110 HydrophobicContact CD1-CD1 4.21Å; L106-G230 VanDerWaalsContact O-CA 3.24Å; L106-G230 WeakPolarHBondContact O-CA 3.49Å; L106-P231 WeakPolarHBondContact O-CA 3.39Å; L106-L232 PolarHBondContact N-O 2.87Å; L106-L232 PolarHBondContact O-N 2.9Å; L106-L234 HydrophobicContact CD1-CB 4.15Å; L106-L234 HydrophobicContact CD1-CD2 4.26Å; L106-L234 HydrophobicContact CD2-CB 4.41Å; L106-L234 HydrophobicContact CD2-CD2 4.14Å; L106-L234 HydrophobicContact CG-CB 3.96Å; L106-L234 HydrophobicContact CG-CD2 4.4Å; L106-L239 HydrophobicContact CD1-CD1 3.71Å; L106-L239 HydrophobicContact CG-CD1 4.38Å
107D85.5Confident75.7Confident72 Ų7256.3 Ų56.339%0.38533%0.325SS..  trans-115.9145.7174.5-72.1-43.1000109.8K105 P231K105-D107 IonicContact NZ-OD1 3.1Å; K105-D107 PolarHBondContact NZ-OD1 2.8Å; K105-D107 IonicContact NZ-OD2 3.96Å; K105-D107 PolarHBondContact NZ-OD2 3.14Å; D107-P231 WeakPolarHBondContact OD1-CA 3.28Å; D107-P231 WeakPolarHBondContact OD1-CB 3.47Å
108G87.7Confident78.5Confident51 Ų5148.7 Ų48.753%0.52628%0.284SS..SBendtrans97.7-165.5-17200000113.1G230G108-G230 PolarHBondContact O-N 2.99Å
109E92.3Very high81Confident70 Ų7044.8 Ų44.833%0.32726%0.259SS..EExtended strand (participates in β ladder)trans-109.2147.7174.9-52.2-162.9164.500110.7A26 R227 L228 R229A26-E109 HydrophobicContact CB-CB 3.72Å; A26-E109 WeakPolarHBondContact CB-O 3.4Å; E109-R227 HydrophobicContact CB-CG 4.43Å; E109-R227 WeakPolarHBondContact OE2-CD 3.5Å; E109-R227 IonicContact OE2-CZ 2.67Å; E109-R227 IonicContact OE2-NE 3.49Å; E109-R227 IonicContact OE2-NH1 2.74Å; E109-R227 PolarHBondContact OE2-NH1 2.94Å; E109-L228 CarbonylContact C-O 3.45Å; E109-L228 VanDerWaalsContact CA-O 3.29Å; E109-L228 WeakPolarHBondContact CA-O 3.24Å; E109-R229 HydrophobicContact CG-CG 4.04Å; E109-R229 WeakPolarHBondContact OE1-CD 3.24Å; E109-R229 IonicContact OE1-CZ 2.74Å; E109-R229 IonicContact OE1-NE 3.33Å; E109-R229 PolarHBondContact OE1-NE 2.9Å; E109-R229 IonicContact OE1-NH2 2.67Å; E109-R229 IonicContact OE2-NE 3.13Å; E109-R229 IonicContact OE2-NH2 2.68Å
110L92.6Very high83.4Confident17 Ų1739.1 Ų39.19%0.08923%0.23CC..EExtended strand (participates in β ladder)trans-139.5129173.8-69.5173.8000110.6V79 L106 R227 L228V79-L110 HydrophobicContact CB-CD2 4.17Å; V79-L110 HydrophobicContact CG2-CD2 4.16Å; L106-L110 HydrophobicContact CD1-CD1 4.21Å; L110-R227 WeakPolarHBondContact O-CA 3.2Å; L110-L228 PolarHBondContact N-O 2.97Å; L110-L228 PolarHBondContact O-N 2.82Å
111C95.4Very high85.1Confident8 Ų832.6 Ų32.65%0.05420%0.198CC..EExtended strand (participates in β ladder)trans-92.6125.1170.6-70.40000111.1Q25 A26 I27 W67 I226Q25-C111 PolarHBondContact O-SG 3.37Å; A26-C111 WeakPolarHBondContact O-CB 3.23Å; A26-C111 PolarHBondContact O-SG 3.05Å; I27-C111 HydrophobicContact CG1-CB 4.24Å; W67-C111 HydrophobicContact CH2-CB 3.69Å; W67-C111 HydrophobicContact CZ2-CB 3.8Å; C111-I226 WeakPolarHBondContact CA-O 3.49Å
112L96.4Very high86.4Confident0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans-133.9168.6-178.6-59.8177.6000111.4V79 L80 L188 D190 I195 K225 I226 L228V79-L112 HydrophobicContact CG2-CD2 3.85Å; L80-L112 HydrophobicContact CD1-CD1 4.46Å; L80-L112 HydrophobicContact CD1-CD2 4.03Å; L80-L112 HydrophobicContact CD2-CD1 4.03Å; L80-L112 HydrophobicContact CD2-CD2 4.2Å; L80-L112 HydrophobicContact CG-CD2 3.95Å; L112-L188 HydrophobicContact CB-CB 4.18Å; L112-L188 HydrophobicContact CB-CD1 4.43Å; L112-L188 HydrophobicContact CD1-CB 3.92Å; L112-L188 HydrophobicContact CD1-CD1 3.95Å; L112-D190 HydrophobicContact CD2-CB 3.82Å; L112-I195 HydrophobicContact CD1-CD1 3.96Å; L112-I195 HydrophobicContact CD1-CG1 4.44Å; L112-K225 WeakPolarHBondContact O-CA 3.32Å; L112-I226 PolarHBondContact N-O 2.88Å; L112-I226 PolarHBondContact O-N 3.48Å; L112-L228 HydrophobicContact CD1-CD1 3.58Å; L112-L228 HydrophobicContact CD1-CG 4.49Å
113Q97Very high87.1Confident1 Ų130.2 Ų30.21%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-112140.6177.5178.1174.1-60.400112S70 D71 L72 L188 T189 V224 K225S70-Q113 PolarHBondContact O-OE1 2.87Å; D71-Q113 PolarHBondContact OD1-NE2 2.79Å; D71-Q113 PolarHBondContact OD1-OE1 2.89Å; L72-Q113 HydrophobicContact CB-CB 4.24Å; L72-Q113 HydrophobicContact CD1-CB 3.62Å; L72-Q113 HydrophobicContact CG-CB 3.79Å; Q113-L188 CarbonylContact O-C 3.54Å; Q113-L188 VanDerWaalsContact O-CA 3.28Å; Q113-L188 WeakPolarHBondContact O-CA 3.36Å; Q113-T189 HydrophobicContact CB-CG2 4.04Å; Q113-T189 PolarHBondContact N-O 3.32Å; Q113-T189 PolarHBondContact O-N 2.75Å; Q113-V224 CarbonylContact C-O 3.56Å; Q113-V224 WeakPolarHBondContact CA-O 3.35Å; Q113-K225 HydrophobicContact CB-CD 4.03Å; Q113-K225 HydrophobicContact CG-CD 4.32Å; Q113-K225 VanDerWaalsContact OE1-CE 3.31Å
114V96.3Very high87.6Confident0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans-68.9126.7172177.30000110.8L186 L188 L220 R221 G223 V224 I226V114-L186 HydrophobicContact CG1-CD1 3.78Å; V114-L186 HydrophobicContact CG2-CD1 4.12Å; V114-L188 HydrophobicContact CG2-CD2 3.94Å; V114-L220 HydrophobicContact CG2-CD2 4.42Å; V114-R221 WeakPolarHBondContact CG1-O 3.49Å; V114-G223 PolarHBondContact O-N 2.8Å; V114-V224 HydrophobicContact CB-CB 4.34Å; V114-V224 HydrophobicContact CG2-CB 4.09Å; V114-V224 HydrophobicContact CG2-CG1 4.42Å; V114-V224 WeakPolarHBondContact CG2-O 3.49Å; V114-V224 PolarHBondContact N-O 2.75Å; V114-I226 HydrophobicContact CG2-CD1 3.41Å; V114-I226 VanDerWaalsContact CG2-CD1 3.41Å; V114-I226 HydrophobicContact CG2-CG1 4.01Å
115V94Very high87.6Confident25 Ų2531.2 Ų31.215%0.15217%0.17CC..EExtended strand (participates in β ladder)trans-93.5-53.3170.8-177.50000110.3F187 T189V115-F187 HydrophobicContact CB-CB 4.04Å; V115-F187 PolarHBondContact N-O 2.83Å; V115-T189 HydrophobicContact CG2-CG2 3.63Å
116N91.5Very high87.3Confident16 Ų1626.2 Ų26.29%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-161.5156-179.2-95.3-55.6000111.7F118 F187 T272N116-F118 HydrophobicContact CB-CE1 3.83Å; N116-F118 HydrophobicContact CB-CE2 3.91Å; N116-F118 HydrophobicContact CB-CZ 3.44Å; N116-F118 VanDerWaalsContact CB-CZ 3.44Å; N116-F187 PolarHBondContact O-N 3.35Å; N116-T272 WeakPolarHBondContact OD1-CB 3.32Å; N116-T272 PolarHBondContact OD1-OG1 2.85Å
117L91.1Very high87.3Confident4 Ų426.4 Ų26.42%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-121.4127.9169.9179.676.3000109.3L184 L186 F213 L216 L217 L220L117-L184 HydrophobicContact CD1-CB 4.3Å; L117-L184 HydrophobicContact CD1-CD1 4.41Å; L117-L186 HydrophobicContact CB-CD1 4.3Å; L117-L186 HydrophobicContact CD1-CB 4.04Å; L117-L186 HydrophobicContact CD1-CD1 4.13Å; L117-F213 HydrophobicContact CD2-CD2 4.3Å; L117-F213 HydrophobicContact CD2-CE2 3.78Å; L117-F213 HydrophobicContact CG-CE2 4.07Å; L117-L216 HydrophobicContact CD2-CB 4.04Å; L117-L217 HydrophobicContact CB-CD2 4.28Å; L117-L217 HydrophobicContact CD2-CD2 4.06Å; L117-L217 HydrophobicContact CD2-CG 4.28Å; L117-L220 HydrophobicContact CD1-CD1 3.96Å; L117-L220 HydrophobicContact CD2-CB 4.3Å; L117-L220 HydrophobicContact CD2-CD1 3.96Å; L117-L220 HydrophobicContact CG-CD1 4.5Å
118F87.3Confident87.1Confident5 Ų523.1 Ų23.12%0.02214%0.136CC..EExtended strand (participates in β ladder)trans-126.7152.3175.9-45.6-62.5000111.8N116 T185 F187 T272 E275 V276 L279N116-F118 HydrophobicContact CB-CE1 3.83Å; N116-F118 HydrophobicContact CB-CE2 3.91Å; N116-F118 HydrophobicContact CB-CZ 3.44Å; N116-F118 VanDerWaalsContact CB-CZ 3.44Å; F118-T185 HydrophobicContact CB-CG2 3.84Å; F118-T185 HydrophobicContact CD2-CG2 4.1Å; F118-T185 HydrophobicContact CG-CG2 4.49Å; F118-T185 PolarHBondContact N-O 2.93Å; F118-T185 PolarHBondContact O-N 3.28Å; F118-F187 AromaticContact CD2-CD2 3.91Å; F118-F187 HydrophobicContact CD2-CD2 3.91Å; F118-F187 AromaticContact CD2-CE2 3.66Å; F118-F187 HydrophobicContact CD2-CE2 3.66Å; F118-F187 AromaticContact CE2-CD2 3.77Å; F118-F187 HydrophobicContact CE2-CD2 3.77Å; F118-F187 AromaticContact CE2-CE2 3.7Å; F118-F187 HydrophobicContact CE2-CE2 3.7Å; F118-F187 HydrophobicContact CE2-CZ 4.48Å; F118-T272 HydrophobicContact CD1-CG2 3.95Å; F118-T272 HydrophobicContact CE1-CG2 3.66Å; F118-E275 HydrophobicContact CZ-CB 4.11Å; F118-V276 HydrophobicContact CD1-CG2 3.34Å; F118-V276 HydrophobicContact CE1-CG2 3.45Å; F118-V276 VanDerWaalsContact CE1-CG2 3.45Å; F118-V276 HydrophobicContact CG-CG2 4.12Å; F118-V276 HydrophobicContact CZ-CG2 4.31Å; F118-L279 HydrophobicContact CD2-CD1 4.01Å; F118-L279 HydrophobicContact CE2-CD1 3.39Å; F118-L279 HydrophobicContact CZ-CD1 3.88Å
119N83.7Confident86.5Confident9 Ų922.8 Ų22.85%0.04812%0.119CC..EExtended strand (participates in β ladder)trans-86.8114.1168.4-172.2-3.5000108.7G121 Q127 A181 C183 L184 F213N119-G121 WeakPolarHBondContact OD1-CA 3.14Å; N119-G121 PolarHBondContact OD1-N 2.77Å; N119-Q127 PolarHBondContact O-NE2 2.99Å; N119-Q127 PolarHBondContact O-OE1 2.64Å; N119-A181 PolarHBondContact ND2-O 2.67Å; N119-A181 PolarHBondContact OD1-O 2.67Å; N119-C183 PolarHBondContact OD1-O 3.4Å; N119-C183 VanDerWaalsContact OD1-O 3.1Å; N119-L184 HydrophobicContact CB-CD2 4.33Å; N119-F213 HydrophobicContact CB-CE1 4.29Å; N119-F213 HydrophobicContact CB-CE2 4.34Å; N119-F213 HydrophobicContact CB-CZ 4.02Å
120I83.4Confident85.6Confident8 Ų825.4 Ų25.44%0.04113%0.126CC..SBendtrans-92.4-6.4172.546.2169.3000112.4E122 Y124 C183 T185 I198 S411I120-E122 PolarHBondContact O-N 2.69Å; I120-Y124 HydrophobicContact CG2-CE1 3.91Å; I120-C183 HydrophobicContact CG1-CB 4.44Å; I120-C183 WeakPolarHBondContact CG1-O 3.29Å; I120-C183 PolarHBondContact N-O 2.74Å; I120-T185 HydrophobicContact CB-CG2 4.5Å; I120-T185 HydrophobicContact CD1-CG2 4.48Å; I120-T185 HydrophobicContact CG1-CG2 4.29Å; I120-T185 HydrophobicContact CG2-CG2 3.56Å; I120-I198 HydrophobicContact CD1-CG2 4.18Å; I120-S411 WeakPolarHBondContact O-CA 2.9Å; I120-S411 WeakPolarHBondContact O-CB 2.99Å
121G74.8Confident84.8Confident13 Ų1328.9 Ų28.913%0.13414%0.142CC..SBendtrans-64.7-17.9168.700000113.9N119 I180 C183N119-G121 WeakPolarHBondContact OD1-CA 3.14Å; N119-G121 PolarHBondContact OD1-N 2.77Å; G121-I180 VanDerWaalsContact CA-O 3.23Å; G121-I180 WeakPolarHBondContact CA-O 3.09Å; G121-C183 PolarHBondContact N-O 3.49Å; G121-C183 VanDerWaalsContact N-O 3.08Å
122E73.9Confident83.6Confident56 Ų5631 Ų3126%0.26215%0.15SC..SBendtrans-118.6150.1175.5-59-17012900111.1I120 Q127 R130I120-E122 PolarHBondContact O-N 2.69Å; E122-Q127 HydrophobicContact CB-CG 4.18Å; E122-Q127 PolarHBondContact O-NE2 3.43Å; E122-R130 IonicContact OE1-CZ 3.75Å; E122-R130 IonicContact OE1-NH1 3.46Å; E122-R130 PolarHBondContact OE1-NH1 2.82Å; E122-R130 IonicContact OE1-NH2 2.75Å; E122-R130 PolarHBondContact OE1-NH2 2.74Å; E122-R130 IonicContact OE2-CZ 3.81Å; E122-R130 IonicContact OE2-NH1 2.68Å; E122-R130 PolarHBondContact OE2-NH1 3.39Å; E122-R130 IonicContact OE2-NH2 3.91Å
123S80.4Confident82Confident57 Ų5734.1 Ų34.140%0.39918%0.183SC..  trans-65.7143.6175.372.40000111.1Y125 G126 Q127S123-Y125 PolarHBondContact O-N 3.33Å; S123-G126 PolarHBondContact O-N 2.89Å; S123-G126 PolarHBondContact OG-N 3.42Å; S123-G126 VanDerWaalsContact OG-N 3.16Å; S123-Q127 PolarHBondContact O-N 3.35Å; S123-Q127 PolarHBondContact O-NE2 3.41Å
124Y85Confident80.1Confident15 Ų1536.2 Ų36.26%0.05919%0.194CC..Hα-helixtrans-58-35.7177-63.2-18.5000112I120 Q127 L128 V276 L279 L280 K283I120-Y124 HydrophobicContact CG2-CE1 3.91Å; Y124-Q127 PolarHBondContact O-N 2.68Å; Y124-L128 VanDerWaalsContact O-CG 3.27Å; Y124-L128 WeakPolarHBondContact O-CG 3.13Å; Y124-L128 PolarHBondContact O-N 2.76Å; Y124-V276 HydrophobicContact CD1-CG1 4.23Å; Y124-V276 HydrophobicContact CG-CG1 4.02Å; Y124-L279 HydrophobicContact CD2-CB 4.16Å; Y124-L279 HydrophobicContact CE2-CB 3.76Å; Y124-L280 HydrophobicContact CD2-CB 4.21Å; Y124-K283 HydrophobicContact CE2-CD 3.96Å
125Y83.2Confident78Confident95 Ų9539.4 Ų39.437%0.37321%0.211SC..Hα-helixtrans-63-42173.6-178.6-102.9000112.4S123 L128 R129 L280 P299S123-Y125 PolarHBondContact O-N 3.33Å; Y125-L128 PolarHBondContact O-N 3.01Å; Y125-R129 HydrophobicContact CD1-CG 4.25Å; Y125-R129 HydrophobicContact CD2-CG 4.33Å; Y125-R129 HydrophobicContact CE1-CG 3.84Å; Y125-R129 HydrophobicContact CE2-CG 3.92Å; Y125-R129 HydrophobicContact CG-CG 4.49Å; Y125-R129 WeakPolarHBondContact O-CB 3.31Å; Y125-R129 WeakPolarHBondContact O-CG 3.34Å; Y125-R129 PolarHBondContact O-N 3.27Å; Y125-R129 PolarHBondContact OH-NE 2.92Å; Y125-R129 PolarHBondContact OH-NH2 2.82Å; Y125-L280 HydrophobicContact CD2-CD2 4.39Å; Y125-P299 HydrophobicContact CD2-CG 4.02Å; Y125-P299 HydrophobicContact CE2-CG 3.83Å
126G78.8Confident75.7Confident17 Ų1741.7 Ų41.718%0.17523%0.228CC..Hα-helixtrans-63.9-39.817600000112.8S123 R130S123-G126 PolarHBondContact O-N 2.89Å; S123-G126 PolarHBondContact OG-N 3.42Å; S123-G126 VanDerWaalsContact OG-N 3.16Å; G126-R130 WeakPolarHBondContact O-CB 3.26Å; G126-R130 PolarHBondContact O-N 3.01Å
127Q83Confident73.6Confident15 Ų1546.3 Ų46.37%0.0726%0.256CS..Hα-helixtrans-63.4-49.3174.8-74.5168.186.900111.8N119 E122 S123 Y124 R130 H131N119-Q127 PolarHBondContact O-NE2 2.99Å; N119-Q127 PolarHBondContact O-OE1 2.64Å; E122-Q127 HydrophobicContact CB-CG 4.18Å; E122-Q127 PolarHBondContact O-NE2 3.43Å; S123-Q127 PolarHBondContact O-N 3.35Å; S123-Q127 PolarHBondContact O-NE2 3.41Å; Y124-Q127 PolarHBondContact O-N 2.68Å; Q127-R130 PolarHBondContact O-N 3.48Å; Q127-H131 PolarHBondContact O-N 3.13Å
128L80.8Confident71.4Confident3 Ų350.2 Ų50.22%0.01628%0.277CS..Hα-helixtrans-58-50.9176.6-70.3167.2000111.9Y124 Y125 R130 H131 E132 M273 V276 L280 F298 P299 I301Y124-L128 VanDerWaalsContact O-CG 3.27Å; Y124-L128 WeakPolarHBondContact O-CG 3.13Å; Y124-L128 PolarHBondContact O-N 2.76Å; Y125-L128 PolarHBondContact O-N 3.01Å; L128-R130 VanDerWaalsContact C-N 3.26Å; L128-R130 PolarHBondContact O-N 3.12Å; L128-H131 PolarHBondContact O-N 2.68Å; L128-H131 VanDerWaalsContact O-N 3.13Å; L128-E132 WeakPolarHBondContact O-CG 3.37Å; L128-E132 PolarHBondContact O-N 3.23Å; L128-M273 HydrophobicContact CD2-CB 4.38Å; L128-M273 WeakPolarHBondContact CD2-O 3.18Å; L128-V276 HydrophobicContact CD1-CG1 4.31Å; L128-V276 HydrophobicContact CD2-CB 4.35Å; L128-V276 HydrophobicContact CD2-CG1 4.2Å; L128-V276 HydrophobicContact CG-CG1 3.94Å; L128-L280 HydrophobicContact CD1-CD2 3.63Å; L128-F298 HydrophobicContact CD1-CE1 4.15Å; L128-P299 HydrophobicContact CB-CB 4.35Å; L128-P299 HydrophobicContact CD1-CB 4.34Å; L128-I301 HydrophobicContact CD2-CD1 3.77Å; L128-I301 HydrophobicContact CD2-CG1 3.81Å
129R75.5Confident69.3Low45 Ų4554.2 Ų54.217%0.1730%0.299CS..Hα-helixtrans-63.9-29.7178.9-70.5-55.9-161-164.84.4113.1Y125 E132 G133 N134 L135 N138Y125-R129 HydrophobicContact CD1-CG 4.25Å; Y125-R129 HydrophobicContact CD2-CG 4.33Å; Y125-R129 HydrophobicContact CE1-CG 3.84Å; Y125-R129 HydrophobicContact CE2-CG 3.92Å; Y125-R129 HydrophobicContact CG-CG 4.49Å; Y125-R129 WeakPolarHBondContact O-CB 3.31Å; Y125-R129 WeakPolarHBondContact O-CG 3.34Å; Y125-R129 PolarHBondContact O-N 3.27Å; Y125-R129 PolarHBondContact OH-NE 2.92Å; Y125-R129 PolarHBondContact OH-NH2 2.82Å; R129-E132 VanDerWaalsContact CD-OE2 3.24Å; R129-E132 WeakPolarHBondContact CD-OE2 3.4Å; R129-E132 IonicContact CZ-OE2 3.16Å; R129-E132 IonicContact NE-OE2 3.59Å; R129-E132 IonicContact NH1-OE1 2.71Å; R129-E132 PolarHBondContact NH1-OE1 3.47Å; R129-E132 IonicContact NH1-OE2 3.84Å; R129-E132 PolarHBondContact NH1-OE2 3.21Å; R129-G133 PolarHBondContact O-N 2.83Å; R129-N134 CarbonylContact O-C 3.59Å; R129-N134 PolarHBondContact O-N 3.39Å; R129-L135 HydrophobicContact CB-CD1 3.83Å; R129-N138 PolarHBondContact NH2-OD1 2.93Å
130R74.4Confident66.8Low124 Ų12459 Ų5947%0.46833%0.33SS..Hα-helixtrans-71.1-40.7173-164.3-177.5-62.4119.5-9.2111.8E122 G126 Q127 L128 G133 L135E122-R130 IonicContact OE1-CZ 3.75Å; E122-R130 IonicContact OE1-NH1 3.46Å; E122-R130 PolarHBondContact OE1-NH1 2.82Å; E122-R130 IonicContact OE1-NH2 2.75Å; E122-R130 PolarHBondContact OE1-NH2 2.74Å; E122-R130 IonicContact OE2-CZ 3.81Å; E122-R130 IonicContact OE2-NH1 2.68Å; E122-R130 PolarHBondContact OE2-NH1 3.39Å; E122-R130 IonicContact OE2-NH2 3.91Å; G126-R130 WeakPolarHBondContact O-CB 3.26Å; G126-R130 PolarHBondContact O-N 3.01Å; Q127-R130 PolarHBondContact O-N 3.48Å; L128-R130 VanDerWaalsContact C-N 3.26Å; L128-R130 PolarHBondContact O-N 3.12Å; R130-G133 PolarHBondContact O-N 3.29Å; R130-L135 HydrophobicContact CB-CD1 3.89Å
131H74.4Confident64.6Low91 Ų9163 Ų6342%0.42136%0.359SS..Hα-helixtrans-66.2-36175.3-173.6-89.7000112.5Q127 L128 G133 M273Q127-H131 PolarHBondContact O-N 3.13Å; L128-H131 PolarHBondContact O-N 2.68Å; L128-H131 VanDerWaalsContact O-N 3.13Å; H131-G133 PolarHBondContact O-N 3.3Å; H131-M273 HydrophobicContact CB-CG 4.03Å; H131-M273 HydrophobicContact CB-SD 3.8Å
132E71Confident62.9Low51 Ų5169.2 Ų69.224%0.23839%0.388CS..THydrogen-bonded Turntrans-65.1-9.1169.3-72174.8-159.200114.1L128 R129 N134 P299 R300L128-E132 WeakPolarHBondContact O-CG 3.37Å; L128-E132 PolarHBondContact O-N 3.23Å; R129-E132 VanDerWaalsContact CD-OE2 3.24Å; R129-E132 WeakPolarHBondContact CD-OE2 3.4Å; R129-E132 IonicContact CZ-OE2 3.16Å; R129-E132 IonicContact NE-OE2 3.59Å; R129-E132 IonicContact NH1-OE1 2.71Å; R129-E132 PolarHBondContact NH1-OE1 3.47Å; R129-E132 IonicContact NH1-OE2 3.84Å; R129-E132 PolarHBondContact NH1-OE2 3.21Å; E132-N134 HydrophobicContact CB-CB 3.93Å; E132-N134 PolarHBondContact O-N 2.96Å; E132-P299 WeakPolarHBondContact OE1-CA 3.45Å; E132-P299 WeakPolarHBondContact OE1-CB 3.37Å; E132-R300 PolarHBondContact OE1-N 2.96Å
133G63.5Low61.2Low66 Ų6674.1 Ų74.168%0.6841%0.411SS*.THydrogen-bonded Turntrans6713.7-169.500000113.9R129 R130 H131R129-G133 PolarHBondContact O-N 2.83Å; R130-G133 PolarHBondContact O-N 3.29Å; H131-G133 PolarHBondContact O-N 3.3Å
134N56.4Low59.2Low46 Ų4675.7 Ų75.725%0.24642%0.418CS..  trans-121.651.8-163.9-166-1.2000112.7R129 E132 V137R129-N134 CarbonylContact O-C 3.59Å; R129-N134 PolarHBondContact O-N 3.39Å; E132-N134 HydrophobicContact CB-CB 3.93Å; E132-N134 PolarHBondContact O-N 2.96Å; N134-V137 WeakPolarHBondContact OD1-CB 3.38Å; N134-V137 VanDerWaalsContact OD1-CG2 3.24Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.48Å; N134-V137 PolarHBondContact OD1-N 2.86Å
135L52.4Low57Low66 Ų6682 Ų8235%0.34645%0.453SS..SBendtrans-76.9-23.3172.1-12977.6000112.8R129 R130 L165R129-L135 HydrophobicContact CB-CD1 3.83Å; R130-L135 HydrophobicContact CB-CD1 3.89Å; L135-L165 HydrophobicContact CD2-CD2 4.32Å
136S45.1Very low54.7Low73 Ų7382.8 Ų82.851%0.5147%0.472SS..SBendtrans-92.6-37.9-169.247.80000114.6N138 L139S136-N138 PolarHBondContact O-N 2.8Å; S136-L139 PolarHBondContact O-N 2.92Å
137V48.4Very low53.1Low113 Ų11390.8 Ų90.869%0.68551%0.505SS*.THydrogen-bonded Turntrans-79.915.4-170.5-1560000113.2N134N134-V137 WeakPolarHBondContact OD1-CB 3.38Å; N134-V137 VanDerWaalsContact OD1-CG2 3.24Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.48Å; N134-V137 PolarHBondContact OD1-N 2.86Å
138N44Very low51.3Low86 Ų8697.3 Ų97.346%0.4654%0.541SS..THydrogen-bonded Turntrans-122.51.7172.1-70.1-100.1000112.9R129 S136R129-N138 PolarHBondContact NH2-OD1 2.93Å; S136-N138 PolarHBondContact O-N 2.8Å
139L42.3Very low49.3Very low90 Ų90102.5 Ų102.547%0.47157%0.568SS.*SBendtrans-75.8137.9152.8-74.787.6000107S136 S141 V161S136-L139 PolarHBondContact O-N 2.92Å; L139-S141 PolarHBondContact O-N 3.49Å; L139-V161 HydrophobicContact CD2-CG1 3.99Å
140P32.1Very low47.8Very low109 Ų109106 Ų10671%0.70860%0.597SS**  trans-61.1128.4167.926.9-32.6000108.3L142P140-L142 PolarHBondContact O-N 2.95Å
141S38Very low46.5Very low93 Ų93105.4 Ų105.465%0.6560%0.603SS**  trans-58102.9169.6-72.50000108.7L139 E143L139-S141 PolarHBondContact O-N 3.49Å; S141-E143 WeakPolarHBondContact CB-OE1 3.38Å; S141-E143 PolarHBondContact O-N 3.13Å; S141-E143 PolarHBondContact OG-OE1 3.49Å
142L38Very low44.7Very low143 Ų143104 Ų10475%0.74961%0.613SS**  trans-75.559.4160.5-71.9170.1000108.5P140 V144P140-L142 PolarHBondContact O-N 2.95Å; L142-V144 PolarHBondContact O-N 2.75Å
143E38Very low43.2Very low159 Ų159109.4 Ų109.474%0.74364%0.638SS**  trans-66.592.1158.7-80.8167.8-132.600106S141 D145S141-E143 WeakPolarHBondContact CB-OE1 3.38Å; S141-E143 PolarHBondContact O-N 3.13Å; S141-E143 PolarHBondContact OG-OE1 3.49Å; E143-D145 PolarHBondContact O-N 2.84Å
144V39.8Very low42.1Very low89 Ų89111.1 Ų111.154%0.53964%0.635SS.*  trans-60.9126.2175.7178.20000107.8L142 S146L142-V144 PolarHBondContact O-N 2.75Å; V144-S146 VanDerWaalsContact C-N 3.32Å; V144-S146 WeakPolarHBondContact O-CB 3.34Å; V144-S146 PolarHBondContact O-N 3.01Å; V144-S146 PolarHBondContact O-OG 2.89Å
145D37.1Very low41.7Very low149 Ų149112.3 Ų112.380%0.79764%0.644SS**  trans-5991.8175.3-75.8-56.4000110.5E143 E147E143-D145 PolarHBondContact O-N 2.84Å; D145-E147 PolarHBondContact O-N 3.1Å
146S35.7Very low41.4Very low111 Ų111117 Ų11778%0.77667%0.665SS**THydrogen-bonded Turntrans-84.344.9-159.5-67.20000113.8V144V144-S146 VanDerWaalsContact C-N 3.32Å; V144-S146 WeakPolarHBondContact O-CB 3.34Å; V144-S146 PolarHBondContact O-N 3.01Å; V144-S146 PolarHBondContact O-OG 2.89Å
147E44.5Very low41.1Very low185 Ų185118.8 Ų118.886%0.86467%0.666SS**THydrogen-bonded Turntrans-130.3-10.6172.4-69-161.3150.400114.8D145D145-E147 PolarHBondContact O-N 3.1Å
148N44.9Very low41.1Very low152 Ų152117.4 Ų117.481%0.81366%0.658SS**SBendtrans-124.115.1-168.7-77.9-65.7000117
149N40.3Very low41.1Very low112 Ų112118 Ų11860%0.59966%0.658SS**  trans-146.2114.4169.9-170.74.8000112.9D151N149-D151 PolarHBondContact OD1-N 3.37Å
150P43.3Very low41Very low119 Ų119116.2 Ų116.277%0.77366%0.656SS**  trans-78-15.9173.432.5-34.5000113.9G152P150-G152 PolarHBondContact O-N 3.26Å
151D46.8Very low41.4Very low111 Ų111113.6 Ų113.659%0.59464%0.638SS**SBendtrans-95.972.5-166.2-65.5-40000113.8N149 H153N149-D151 PolarHBondContact OD1-N 3.37Å; D151-H153 VanDerWaalsContact C-N 3.33Å; D151-H153 PolarHBondContact O-CD2 3.25Å; D151-H153 PolarHBondContact O-N 3.15Å
152G37.3Very low41.4Very low61 Ų61111.7 Ų111.763%0.62962%0.624SS**  trans59.8-8.5135.100000123.7P150 T154 T155P150-G152 PolarHBondContact O-N 3.26Å; G152-T154 PolarHBondContact O-N 3.29Å; G152-T154 VanDerWaalsContact O-N 3.15Å; G152-T155 PolarHBondContact O-OG1 3.13Å
153H39.7Very low41.6Very low165 Ų165110.7 Ų110.776%0.76462%0.616SS**  trans-84.419.2-163.3-79.3-70.7000117.8D151 T155D151-H153 VanDerWaalsContact C-N 3.33Å; D151-H153 PolarHBondContact O-CD2 3.25Å; D151-H153 PolarHBondContact O-N 3.15Å; H153-T155 VanDerWaalsContact C-OG1 3.31Å; H153-T155 PolarHBondContact O-N 3.25Å
154T40.3Very low41.8Very low102 Ų102110.7 Ų110.763%0.62661%0.611SS**  trans-78.540.6-178.1-37.50000114.1G152G152-T154 PolarHBondContact O-N 3.29Å; G152-T154 VanDerWaalsContact O-N 3.15Å
155T48Very low41.7Very low70 Ų70111 Ų11143%0.42961%0.609SS.*  trans-136.211.7-145.932.80000119.4G152 H153G152-T155 PolarHBondContact O-OG1 3.13Å; H153-T155 VanDerWaalsContact C-OG1 3.31Å; H153-T155 PolarHBondContact O-N 3.25Å
156Q46Very low41.6Very low166 Ų166110 Ų11078%0.77660%0.603SS**SBendtrans-132.4-62.7169.4-68.2-167.339.100115.6T158 Q159 A160Q156-T158 PolarHBondContact O-N 3.14Å; Q156-Q159 WeakPolarHBondContact O-CB 3.46Å; Q156-Q159 PolarHBondContact O-N 3.01Å; Q156-A160 PolarHBondContact O-N 3.09Å
157M39.6Very low41.5Very low110 Ų110110.7 Ų110.754%0.54259%0.594SS.*Hα-helixtrans-63.9-43.4-167.7-143.2175.7-158.100113.1Q159 A160 V161 L689M157-Q159 VanDerWaalsContact C-N 3.3Å; M157-Q159 PolarHBondContact O-N 3.29Å; M157-A160 PolarHBondContact O-N 3.32Å; M157-V161 WeakPolarHBondContact O-CG2 3.14Å; M157-V161 PolarHBondContact O-N 3.09Å; M157-L689 HydrophobicContact CE-CD2 4.46Å
158T46.7Very low40.8Very low83 Ų83104.7 Ų104.751%0.50957%0.573SS.*Hα-helixtrans-61.1-38.4173.5-45.80000111.8Q156 V161 S162Q156-T158 PolarHBondContact O-N 3.14Å; T158-V161 PolarHBondContact O-N 2.73Å; T158-S162 WeakPolarHBondContact O-CB 3.48Å; T158-S162 PolarHBondContact O-N 3.2Å; T158-S162 PolarHBondContact O-OG 2.8Å; T158-S162 VanDerWaalsContact O-OG 3.1Å
159Q44.8Very low40.2Very low98 Ų98104.1 Ų104.146%0.45858%0.577SS.*Hα-helixtrans-67.9-40.9177.2-62.5-169.26.800111.7Q156 M157 V161 S162 Q163Q156-Q159 WeakPolarHBondContact O-CB 3.46Å; Q156-Q159 PolarHBondContact O-N 3.01Å; M157-Q159 VanDerWaalsContact C-N 3.3Å; M157-Q159 PolarHBondContact O-N 3.29Å; Q159-V161 PolarHBondContact O-N 3.27Å; Q159-S162 PolarHBondContact O-N 3.39Å; Q159-Q163 WeakPolarHBondContact O-CB 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.49Å; Q159-Q163 PolarHBondContact O-N 2.77Å
160A40.5Very low39.7Very low53 Ų53104.3 Ų104.344%0.43858%0.582SS.*Hα-helixtrans-62.5-41.5175.400000111.9Q156 M157 Q163 Y164Q156-A160 PolarHBondContact O-N 3.09Å; M157-A160 PolarHBondContact O-N 3.32Å; A160-Q163 PolarHBondContact O-N 2.96Å; A160-Y164 PolarHBondContact O-N 2.87Å
161V40.7Very low39.1Very low55 Ų55106.6 Ų106.633%0.33358%0.583SS.*Hα-helixtrans-67.3-44.6174.81730000111.4L139 M157 T158 Q159 Q163 Y164 L165L139-V161 HydrophobicContact CD2-CG1 3.99Å; M157-V161 WeakPolarHBondContact O-CG2 3.14Å; M157-V161 PolarHBondContact O-N 3.09Å; T158-V161 PolarHBondContact O-N 2.73Å; Q159-V161 PolarHBondContact O-N 3.27Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; V161-Q163 PolarHBondContact O-N 2.84Å; V161-Y164 WeakPolarHBondContact O-CA 3.48Å; V161-Y164 WeakPolarHBondContact O-CB 3.31Å; V161-Y164 PolarHBondContact O-N 2.89Å; V161-L165 HydrophobicContact CG1-CD1 3.71Å; V161-L165 VanDerWaalsContact O-CD1 3.26Å; V161-L165 WeakPolarHBondContact O-CD1 3.4Å; V161-L165 PolarHBondContact O-N 2.93Å
162S38.4Very low38.3Very low52 Ų52107 Ų10736%0.36459%0.59SS.*Hα-helixtrans-62.6-36.5174.3-650000112.6T158 Q159 Y164 L165 N166T158-S162 WeakPolarHBondContact O-CB 3.48Å; T158-S162 PolarHBondContact O-N 3.2Å; T158-S162 PolarHBondContact O-OG 2.8Å; T158-S162 VanDerWaalsContact O-OG 3.1Å; Q159-S162 PolarHBondContact O-N 3.39Å; S162-Y164 VanDerWaalsContact C-N 3.29Å; S162-Y164 PolarHBondContact O-N 2.94Å; S162-L165 PolarHBondContact O-N 2.99Å; S162-N166 WeakPolarHBondContact O-CB 2.89Å; S162-N166 VanDerWaalsContact O-CG 3.23Å; S162-N166 PolarHBondContact O-N 2.83Å; S162-N166 PolarHBondContact O-ND2 3.35Å
163Q41.2Very low37.8Very low123 Ų123111 Ų11158%0.57560%0.597SS**Hα-helixtrans-64.7-33.7171.6-74.3166.813.200111.7Q159 A160 V161 Q167Q159-Q163 WeakPolarHBondContact O-CB 3.31Å; Q159-Q163 WeakPolarHBondContact O-CG 3.49Å; Q159-Q163 PolarHBondContact O-N 2.77Å; A160-Q163 PolarHBondContact O-N 2.96Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; V161-Q163 PolarHBondContact O-N 2.84Å; Q163-Q167 WeakPolarHBondContact O-CG 3.19Å; Q163-Q167 PolarHBondContact O-NE2 2.87Å
164Y41.1Very low37.3Very low159 Ų159109.2 Ų109.262%0.62459%0.593SS**Hα-helixtrans-73.3-35.6176.9-138.1-81.3000113A160 V161 S162A160-Y164 PolarHBondContact O-N 2.87Å; V161-Y164 WeakPolarHBondContact O-CA 3.48Å; V161-Y164 WeakPolarHBondContact O-CB 3.31Å; V161-Y164 PolarHBondContact O-N 2.89Å; S162-Y164 VanDerWaalsContact C-N 3.29Å; S162-Y164 PolarHBondContact O-N 2.94Å
165L39.1Very low36.8Very low96 Ų96113.9 Ų113.950%0.50361%0.605SS.*Hα-helixtrans-84.9-32177.1-82.990.9000114L135 V161 S162 Q167L135-L165 HydrophobicContact CD2-CD2 4.32Å; V161-L165 HydrophobicContact CG1-CD1 3.71Å; V161-L165 VanDerWaalsContact O-CD1 3.26Å; V161-L165 WeakPolarHBondContact O-CD1 3.4Å; V161-L165 PolarHBondContact O-N 2.93Å; S162-L165 PolarHBondContact O-N 2.99Å; L165-Q167 VanDerWaalsContact C-N 3.33Å
166N35.5Very low36Very low127 Ų127121.3 Ų121.368%0.67963%0.625SS**SBendtrans-87.11.2-177.4-64.9-23.5000113.8S162 S168S162-N166 WeakPolarHBondContact O-CB 2.89Å; S162-N166 VanDerWaalsContact O-CG 3.23Å; S162-N166 PolarHBondContact O-N 2.83Å; S162-N166 PolarHBondContact O-ND2 3.35Å; N166-S168 PolarHBondContact O-N 2.88Å
167Q33.7Very low35.5Very low125 Ų125119.3 Ų119.358%0.58462%0.616SS**  trans-70.278169-92171.790.500110.8Q163 L165Q163-Q167 WeakPolarHBondContact O-CG 3.19Å; Q163-Q167 PolarHBondContact O-NE2 2.87Å; L165-Q167 VanDerWaalsContact C-N 3.33Å
168S29Very low35.4Very low60 Ų60118.4 Ų118.442%0.4262%0.62SS.*  trans-57.9148.7161.550.30000110.3N166 T170N166-S168 PolarHBondContact O-N 2.88Å; S168-T170 PolarHBondContact O-N 2.95Å
169P31.7Very low35Very low140 Ų140118.6 Ų118.691%0.90962%0.621SS**THydrogen-bonded Turntrans-68.913.9-165.8-22.735.5000117.1
170T31.2Very low35.1Very low115 Ų115116 Ų11671%0.70661%0.61SS**THydrogen-bonded Turntrans-121.52.2-165.351.10000114.6S168S168-T170 PolarHBondContact O-N 2.95Å
171Q30.7Very low35.6Very low167 Ų167115.6 Ų115.678%0.7861%0.607SS**  trans-109.7116.2174-66.4-166.234.800112.3
172T28.4Very low36.7Very low120 Ų120116.2 Ų116.274%0.73661%0.608SS**  trans-76.7160.6177.3540000112.3
173N27Very low38.4Very low146 Ų146114.5 Ų114.578%0.78160%0.596SS**  trans131.216152.5-61.2-9.6000117.2
174N29.1Very low40.5Very low126 Ų126108.8 Ų108.867%0.67457%0.569SS**  trans-124.881.8162.3-87.9-51.1000111.8R176 Q177N174-R176 PolarHBondContact O-N 2.93Å; N174-Q177 PolarHBondContact O-N 2.72Å
175F30.1Very low42.9Very low201 Ų201101.2 Ų101.288%0.88254%0.539SS*.THydrogen-bonded Turntrans-66.114.1-169.8-162.1-103.1000115.9
176R32.4Very low45.5Very low226 Ų22696.6 Ų96.685%0.85352%0.515SS*.THydrogen-bonded Turntrans-128.4-8.1-179.4-69.8-173.5174.3-175.9-1.9115.3N174N174-R176 PolarHBondContact O-N 2.93Å
177Q35Very low48.3Very low124 Ų12492.2 Ų92.258%0.57949%0.49SS*.THydrogen-bonded Turntrans-91-22.9-179.1-118.6742.500114.2N174N174-Q177 PolarHBondContact O-N 2.72Å
178S36.8Very low51.2Low90 Ų9086.3 Ų86.363%0.62946%0.463SS*.G310 helixtrans-75.4-27.7-163.7167.50000115.7I180 A181S178-I180 VanDerWaalsContact C-N 3.25Å; S178-I180 PolarHBondContact O-N 3.19Å; S178-A181 PolarHBondContact O-N 3Å
179T38Very low54.4Low88 Ų8883.5 Ų83.554%0.5444%0.443SS..G310 helixtrans-68.1-18.6-168.345.60000115
180I48.1Very low57.3Low44 Ų4477 Ų7723%0.22640%0.4CS..G310 helixtrans-78-32.6-177.3-64162.8000111.8G121 S178 N182 R410G121-I180 VanDerWaalsContact CA-O 3.23Å; G121-I180 WeakPolarHBondContact CA-O 3.09Å; S178-I180 VanDerWaalsContact C-N 3.25Å; S178-I180 PolarHBondContact O-N 3.19Å; I180-N182 VanDerWaalsContact C-N 3.27Å; I180-N182 PolarHBondContact O-N 3.44Å; I180-R410 HydrophobicContact CD1-CG 4.19Å; I180-R410 HydrophobicContact CG2-CB 3.81Å; I180-R410 HydrophobicContact CG2-CG 4.07Å
181A50.9Low60.2Low44 Ų4472.1 Ų72.136%0.36437%0.374SS..THydrogen-bonded Turntrans-70.5-15.7-163.100000115.3N119 S178N119-A181 PolarHBondContact ND2-O 2.67Å; N119-A181 PolarHBondContact OD1-O 2.67Å; S178-A181 PolarHBondContact O-N 3Å
182N62.4Low63.1Low67 Ų6768.3 Ų68.336%0.35836%0.361SS..THydrogen-bonded Turntrans-118.122.3-171.2-68.5-3.9000113.7I180 L184I180-N182 VanDerWaalsContact C-N 3.27Å; I180-N182 PolarHBondContact O-N 3.44Å; N182-L184 WeakPolarHBondContact O-CG 3.41Å; N182-L184 PolarHBondContact O-N 3.22Å
183C74.9Confident66.1Low17 Ų1764.1 Ų64.112%0.11533%0.334CS..  trans-76.9114.8174.4-171.30000110.3N119 I120 G121 S411N119-C183 PolarHBondContact OD1-O 3.4Å; N119-C183 VanDerWaalsContact OD1-O 3.1Å; I120-C183 HydrophobicContact CG1-CB 4.44Å; I120-C183 WeakPolarHBondContact CG1-O 3.29Å; I120-C183 PolarHBondContact N-O 2.74Å; G121-C183 PolarHBondContact N-O 3.49Å; G121-C183 VanDerWaalsContact N-O 3.08Å; C183-S411 VanDerWaalsContact CB-OG 3.32Å; C183-S411 WeakPolarHBondContact CB-OG 3.41Å; C183-S411 PolarHBondContact SG-OG 3.03Å
184L86.3Confident69.2Low2 Ų261 Ų611%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-103.7156-171.8-53.6-174.2000112.8L117 N119 N182 F213 L216 L246L117-L184 HydrophobicContact CD1-CB 4.3Å; L117-L184 HydrophobicContact CD1-CD1 4.41Å; N119-L184 HydrophobicContact CB-CD2 4.33Å; N182-L184 WeakPolarHBondContact O-CG 3.41Å; N182-L184 PolarHBondContact O-N 3.22Å; L184-F213 HydrophobicContact CD1-CD2 4.26Å; L184-F213 HydrophobicContact CD2-CD2 3.58Å; L184-F213 HydrophobicContact CD2-CE2 3.68Å; L184-L216 HydrophobicContact CD1-CD1 3.48Å; L184-L216 VanDerWaalsContact CD1-CD1 3.48Å; L184-L246 HydrophobicContact CB-CD1 4.25Å
185T90.1Very high72.1Confident0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-130.6128.6165.7-177.90000109.7F118 I120 F187 K196 V197F118-T185 HydrophobicContact CB-CG2 3.84Å; F118-T185 HydrophobicContact CD2-CG2 4.1Å; F118-T185 HydrophobicContact CG-CG2 4.49Å; F118-T185 PolarHBondContact N-O 2.93Å; F118-T185 PolarHBondContact O-N 3.28Å; I120-T185 HydrophobicContact CB-CG2 4.5Å; I120-T185 HydrophobicContact CD1-CG2 4.48Å; I120-T185 HydrophobicContact CG1-CG2 4.29Å; I120-T185 HydrophobicContact CG2-CG2 3.56Å; T185-F187 HydrophobicContact CG2-CE2 3.94Å; T185-K196 WeakPolarHBondContact OG1-CE 3.31Å; T185-K196 WeakPolarHBondContact OG1-CG 3.23Å; T185-V197 WeakPolarHBondContact CA-O 3.47Å
186L93.9Very high75.1Confident0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-110.2132.6177176.864.5000108.5V114 L117 L188 V197 L220 I226 L246V114-L186 HydrophobicContact CG1-CD1 3.78Å; V114-L186 HydrophobicContact CG2-CD1 4.12Å; L117-L186 HydrophobicContact CB-CD1 4.3Å; L117-L186 HydrophobicContact CD1-CB 4.04Å; L117-L186 HydrophobicContact CD1-CD1 4.13Å; L186-L188 HydrophobicContact CD1-CD2 4.38Å; L186-L188 HydrophobicContact CD2-CD2 3.92Å; L186-L188 HydrophobicContact CD2-CG 4.41Å; L186-L188 HydrophobicContact CG-CD2 3.88Å; L186-L188 HydrophobicContact CG-CG 4.26Å; L186-V197 HydrophobicContact CB-CB 4.26Å; L186-V197 PolarHBondContact N-O 2.95Å; L186-V197 PolarHBondContact O-N 2.88Å; L186-L220 HydrophobicContact CD1-CB 4.41Å; L186-L220 HydrophobicContact CD1-CD1 4.36Å; L186-L220 HydrophobicContact CD2-CD1 4.44Å; L186-L220 HydrophobicContact CD2-CD2 4.29Å; L186-I226 HydrophobicContact CD2-CD1 3.9Å; L186-L246 HydrophobicContact CB-CD1 4.22Å; L186-L246 HydrophobicContact CB-CD2 3.94Å; L186-L246 HydrophobicContact CD2-CD2 3.63Å; L186-L246 HydrophobicContact CG-CD2 4.46Å
187F94.4Very high78Confident35 Ų3537 Ų3715%0.15421%0.211CC..EExtended strand (participates in β ladder)trans-103127.6176.1-76.6-104.6000109V115 N116 F118 T185 K196V115-F187 HydrophobicContact CB-CB 4.04Å; V115-F187 PolarHBondContact N-O 2.83Å; N116-F187 PolarHBondContact O-N 3.35Å; F118-F187 AromaticContact CD2-CD2 3.91Å; F118-F187 HydrophobicContact CD2-CD2 3.91Å; F118-F187 AromaticContact CD2-CE2 3.66Å; F118-F187 HydrophobicContact CD2-CE2 3.66Å; F118-F187 AromaticContact CE2-CD2 3.77Å; F118-F187 HydrophobicContact CE2-CD2 3.77Å; F118-F187 AromaticContact CE2-CE2 3.7Å; F118-F187 HydrophobicContact CE2-CE2 3.7Å; F118-F187 HydrophobicContact CE2-CZ 4.48Å; T185-F187 HydrophobicContact CG2-CE2 3.94Å; F187-K196 HydrophobicContact CE1-CB 4.24Å; F187-K196 HydrophobicContact CE1-CG 4.28Å; F187-K196 HydrophobicContact CE2-CG 4.16Å; F187-K196 HydrophobicContact CZ-CB 4.4Å; F187-K196 HydrophobicContact CZ-CD 4.28Å; F187-K196 HydrophobicContact CZ-CG 3.94Å
188L95.3Very high80.5Confident0 Ų032.7 Ų32.70%019%0.192CC..EExtended strand (participates in β ladder)trans-122.7148.6-178.2-59.3-178.4000111.1L112 Q113 V114 L186 E194 I195 V197 I226 L228L112-L188 HydrophobicContact CB-CB 4.18Å; L112-L188 HydrophobicContact CB-CD1 4.43Å; L112-L188 HydrophobicContact CD1-CB 3.92Å; L112-L188 HydrophobicContact CD1-CD1 3.95Å; Q113-L188 CarbonylContact O-C 3.54Å; Q113-L188 VanDerWaalsContact O-CA 3.28Å; Q113-L188 WeakPolarHBondContact O-CA 3.36Å; V114-L188 HydrophobicContact CG2-CD2 3.94Å; L186-L188 HydrophobicContact CD1-CD2 4.38Å; L186-L188 HydrophobicContact CD2-CD2 3.92Å; L186-L188 HydrophobicContact CD2-CG 4.41Å; L186-L188 HydrophobicContact CG-CD2 3.88Å; L186-L188 HydrophobicContact CG-CG 4.26Å; L188-E194 CarbonylContact O-C 3.59Å; L188-E194 WeakPolarHBondContact O-CA 3.42Å; L188-I195 HydrophobicContact CB-CG1 4.13Å; L188-I195 PolarHBondContact N-O 3.48Å; L188-I195 PolarHBondContact O-N 2.92Å; L188-V197 HydrophobicContact CD1-CG2 3.63Å; L188-V197 HydrophobicContact CG-CG2 3.92Å; L188-I226 HydrophobicContact CD2-CD1 4.2Å; L188-L228 HydrophobicContact CD1-CD1 4.06Å; L188-L228 HydrophobicContact CD1-CD2 4.25Å; L188-L228 HydrophobicContact CD1-CG 4.36Å
189T95Very high82.8Confident1 Ų129.8 Ų29.81%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-132.8150.9177.5-170.20000112.1K73 Q113 V115 G191 N193K73-T189 HydrophobicContact CG-CG2 4.39Å; Q113-T189 HydrophobicContact CB-CG2 4.04Å; Q113-T189 PolarHBondContact N-O 3.32Å; Q113-T189 PolarHBondContact O-N 2.75Å; V115-T189 HydrophobicContact CG2-CG2 3.63Å; T189-G191 PolarHBondContact OG1-N 3.2Å; T189-N193 VanDerWaalsContact CA-O 3.31Å; T189-N193 WeakPolarHBondContact CA-O 3.46Å; T189-N193 WeakPolarHBondContact CB-O 3.46Å; T189-N193 PolarHBondContact OG1-O 3.47Å
190D94.1Very high84.3Confident3 Ų329.9 Ų29.92%0.01616%0.161CC..SBendtrans-94.50.9163.461.35.6000112.5P78 V79 L80 L112 V192 N193P78-D190 WeakPolarHBondContact CA-OD2 3.43Å; V79-D190 HydrophobicContact CG2-CB 3.67Å; V79-D190 PolarHBondContact N-OD2 2.89Å; L80-D190 WeakPolarHBondContact CB-OD2 3.49Å; L80-D190 HydrophobicContact CD1-CB 4.08Å; L80-D190 HydrophobicContact CG-CB 4.18Å; L80-D190 PolarHBondContact N-OD2 2.92Å; L112-D190 HydrophobicContact CD2-CB 3.82Å; D190-V192 PolarHBondContact OD1-N 2.95Å; D190-N193 PolarHBondContact N-O 3.25Å; D190-N193 PolarHBondContact OD1-N 3.41Å; D190-N193 PolarHBondContact OD2-ND2 3.19Å
191G92.4Very high84.9Confident14 Ų1428.9 Ų28.914%0.14416%0.162CC..SBendtrans102.2-15.1-173.200000114.9L72 T189L72-G191 VanDerWaalsContact C-CA 3.48Å; L72-G191 VanDerWaalsContact O-CA 3.25Å; L72-G191 WeakPolarHBondContact O-CA 3.47Å; T189-G191 PolarHBondContact OG1-N 3.2Å
192V91.5Very high85.1Confident86 Ų8629.7 Ų29.752%0.52116%0.162SC..SBendtrans-126.4-43.1-176-177.30000111.5A76 P78 D190A76-V192 HydrophobicContact CB-CG2 4.2Å; P78-V192 HydrophobicContact CB-CB 4.14Å; P78-V192 HydrophobicContact CB-CG1 4.46Å; P78-V192 HydrophobicContact CB-CG2 4.1Å; P78-V192 HydrophobicContact CG-CG2 4.41Å; D190-V192 PolarHBondContact OD1-N 2.95Å
193N90.5Very high84.9Confident32 Ų3229.3 Ų29.317%0.17116%0.158CC..  trans-107.3159177.1-54.6-76.7000110.1L80 T189 D190L80-N193 HydrophobicContact CB-CB 4.06Å; L80-N193 HydrophobicContact CD1-CB 4Å; T189-N193 VanDerWaalsContact CA-O 3.31Å; T189-N193 WeakPolarHBondContact CA-O 3.46Å; T189-N193 WeakPolarHBondContact CB-O 3.46Å; T189-N193 PolarHBondContact OG1-O 3.47Å; D190-N193 PolarHBondContact N-O 3.25Å; D190-N193 PolarHBondContact OD1-N 3.41Å; D190-N193 PolarHBondContact OD2-ND2 3.19Å
194E91.6Very high83.5Confident82 Ų8232.4 Ų32.438%0.38318%0.18SC..EExtended strand (participates in β ladder)trans-127.6139.1167.7-60.4-166.2165.900110.6K73 L188K73-E194 WeakPolarHBondContact CE-OE1 3.47Å; K73-E194 IonicContact NZ-OE1 2.72Å; K73-E194 PolarHBondContact NZ-OE1 3.38Å; L188-E194 CarbonylContact O-C 3.59Å; L188-E194 WeakPolarHBondContact O-CA 3.42Å
195I91.4Very high81.7Confident6 Ų638.3 Ų38.33%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-123.2149.8172.856.1161.4000110.8L80 L112 L188 L228 L234 N237 L239L80-I195 HydrophobicContact CD1-CG1 4.05Å; L80-I195 HydrophobicContact CD1-CG2 4.12Å; L80-I195 HydrophobicContact CD2-CD1 3.75Å; L80-I195 HydrophobicContact CD2-CG1 4.17Å; L80-I195 HydrophobicContact CD2-CG2 4.22Å; L112-I195 HydrophobicContact CD1-CD1 3.96Å; L112-I195 HydrophobicContact CD1-CG1 4.44Å; L188-I195 HydrophobicContact CB-CG1 4.13Å; L188-I195 PolarHBondContact N-O 3.48Å; L188-I195 PolarHBondContact O-N 2.92Å; I195-L228 HydrophobicContact CD1-CD1 4.46Å; I195-L234 HydrophobicContact CB-CD1 4.39Å; I195-L234 HydrophobicContact CG2-CD1 3.95Å; I195-N237 HydrophobicContact CG2-CB 4.45Å; I195-L239 HydrophobicContact CD1-CB 4.35Å; I195-L239 HydrophobicContact CD1-CD2 4.22Å
196K91.8Very high79.5Confident43 Ų4349 Ų4919%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-97.5132.3174.6-173.9-167.9178.4-164.60108.9T185 F187 I198 N237 V238 L239T185-K196 WeakPolarHBondContact OG1-CE 3.31Å; T185-K196 WeakPolarHBondContact OG1-CG 3.23Å; F187-K196 HydrophobicContact CE1-CB 4.24Å; F187-K196 HydrophobicContact CE1-CG 4.28Å; F187-K196 HydrophobicContact CE2-CG 4.16Å; F187-K196 HydrophobicContact CZ-CB 4.4Å; F187-K196 HydrophobicContact CZ-CD 4.28Å; F187-K196 HydrophobicContact CZ-CG 3.94Å; K196-I198 HydrophobicContact CD-CG2 4.29Å; K196-I198 HydrophobicContact CG-CG2 4.38Å; K196-N237 PolarHBondContact N-O 3.29Å; K196-V238 HydrophobicContact CB-CG2 4.41Å; K196-V238 HydrophobicContact CD-CG1 4.39Å; K196-V238 HydrophobicContact CD-CG2 4.22Å; K196-V238 CarbonylContact O-C 3.47Å; K196-V238 VanDerWaalsContact O-CA 3.24Å; K196-V238 WeakPolarHBondContact O-CA 3.12Å; K196-L239 PolarHBondContact O-N 3.39Å
197V92.7Very high77.4Confident0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-109.5130.9174.5-170.60000109.2T185 L186 L188 L239 V241 L246 L254T185-V197 WeakPolarHBondContact CA-O 3.47Å; L186-V197 HydrophobicContact CB-CB 4.26Å; L186-V197 PolarHBondContact N-O 2.95Å; L186-V197 PolarHBondContact O-N 2.88Å; L188-V197 HydrophobicContact CD1-CG2 3.63Å; L188-V197 HydrophobicContact CG-CG2 3.92Å; V197-L239 WeakPolarHBondContact CA-O 3.38Å; V197-L239 HydrophobicContact CG1-CB 4.47Å; V197-L239 HydrophobicContact CG1-CD2 4.36Å; V197-L239 HydrophobicContact CG2-CB 4.2Å; V197-L239 HydrophobicContact CG2-CD2 4.07Å; V197-V241 HydrophobicContact CG1-CB 4.38Å; V197-V241 HydrophobicContact CG1-CG1 3.66Å; V197-V241 HydrophobicContact CG1-CG2 3.79Å; V197-L246 HydrophobicContact CG1-CD2 4.49Å; V197-L254 HydrophobicContact CG1-CD1 4.5Å
198I89.1Confident75.4Confident33 Ų3362 Ų6217%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-132.2148.3173.165.1176.7000110.9I120 K196 V238 L239 L240 V241I120-I198 HydrophobicContact CD1-CG2 4.18Å; K196-I198 HydrophobicContact CD-CG2 4.29Å; K196-I198 HydrophobicContact CG-CG2 4.38Å; I198-V238 HydrophobicContact CD1-CG1 3.69Å; I198-V238 HydrophobicContact CG1-CG1 3.69Å; I198-V238 HydrophobicContact CG2-CG1 4.31Å; I198-L239 PolarHBondContact N-O 3.14Å; I198-L240 HydrophobicContact CD1-CD2 3.79Å; I198-L240 HydrophobicContact CG1-CD2 3.66Å; I198-V241 WeakPolarHBondContact O-CG2 3.18Å; I198-V241 PolarHBondContact O-N 2.8Å
199E83.7Confident73.7Confident28 Ų2864.6 Ų64.613%0.13133%0.332CS..EExtended strand (participates in β ladder)trans-71.1136167.7-62.6-172.8156.800110.3V241 G244 A245 L246 Q247E199-V241 WeakPolarHBondContact CA-O 3.42Å; E199-V241 HydrophobicContact CG-CG2 4.3Å; E199-G244 WeakPolarHBondContact OE1-CA 3.44Å; E199-G244 PolarHBondContact OE1-N 2.79Å; E199-G244 VanDerWaalsContact OE1-N 3.16Å; E199-G244 PolarHBondContact OE2-N 3.21Å; E199-A245 PolarHBondContact OE1-N 2.81Å; E199-A245 VanDerWaalsContact OE1-N 3.07Å; E199-L246 HydrophobicContact CG-CB 4.02Å; E199-L246 HydrophobicContact CG-CD1 4.13Å; E199-L246 HydrophobicContact CG-CG 4.05Å; E199-L246 WeakPolarHBondContact OE1-CA 3.34Å; E199-L246 WeakPolarHBondContact OE1-CB 3.3Å; E199-L246 PolarHBondContact OE1-N 3.15Å; E199-Q247 PolarHBondContact OE1-N 3.47Å; E199-Q247 PolarHBondContact OE2-NE2 3.34Å
200F71.1Confident72.6Confident90 Ų9066.6 Ų66.640%0.39535%0.346SS..  trans-126.4140.6176.4-175.2-101.4000109L240 V241 P243 G405 V406F200-L240 HydrophobicContact CB-CB 4Å; F200-L240 HydrophobicContact CB-CD1 4.41Å; F200-L240 HydrophobicContact CB-CD2 4.41Å; F200-L240 HydrophobicContact CD1-CD1 4.36Å; F200-L240 HydrophobicContact CD2-CD1 4.07Å; F200-L240 HydrophobicContact CE2-CD1 4.41Å; F200-L240 HydrophobicContact CG-CB 4.47Å; F200-L240 HydrophobicContact CG-CD1 4.04Å; F200-V241 PolarHBondContact N-O 3.29Å; F200-P243 WeakPolarHBondContact O-CD 3.34Å; F200-G405 VanDerWaalsContact CD2-O 3.24Å; F200-G405 WeakPolarHBondContact CD2-O 3.31Å; F200-G405 VanDerWaalsContact CE1-CA 3.42Å; F200-G405 VanDerWaalsContact CE2-O 3.24Å; F200-G405 WeakPolarHBondContact CE2-O 3.44Å; F200-G405 WeakPolarHBondContact CG-O 3.2Å; F200-G405 WeakPolarHBondContact CZ-O 3.39Å; F200-V406 HydrophobicContact CD2-CG2 4.43Å; F200-V406 HydrophobicContact CE2-CG2 3.72Å; F200-V406 HydrophobicContact CZ-CG2 4.31Å
201G59.4Low71.8Confident23 Ų2368 Ų6824%0.23735%0.353CS..BIsolated β-bridgetrans105.3-177-173.400000114.1G405G201-G405 WeakPolarHBondContact CA-O 3.38Å; G201-G405 PolarHBondContact N-O 3.08Å
202T55.3Low71.1Confident62 Ų6270.9 Ų70.938%0.3837%0.369SS..  trans-102.8130.8176.272.90000109.7S204 P243 L407T202-S204 PolarHBondContact O-N 3.13Å; T202-P243 VanDerWaalsContact O-CG 3.26Å; T202-P243 WeakPolarHBondContact O-CG 3.29Å; T202-L407 HydrophobicContact CG2-CB 3.85Å; T202-L407 HydrophobicContact CG2-CD1 4.09Å; T202-L407 HydrophobicContact CG2-CG 3.69Å
203Q57.5Low70.6Confident58 Ų5869.6 Ų69.627%0.27136%0.357SS..  trans-77.8114.3172-172.1-177.38500108.5T205 P243 Q247Q203-T205 PolarHBondContact O-N 3.35Å; Q203-P243 HydrophobicContact CB-CB 4.45Å; Q203-Q247 VanDerWaalsContact NE2-OE1 3.14Å
204S47.1Very low70.2Confident82 Ų8275.8 Ų75.857%0.57338%0.382SS*.  trans-59.7125.6172.5-178.30000109.7T202 R206 S207T202-S204 PolarHBondContact O-N 3.13Å; S204-R206 PolarHBondContact O-N 2.93Å; S204-S207 PolarHBondContact O-N 3.35Å
205T48.1Very low69.9Low127 Ų12776.2 Ų76.278%0.77938%0.384SS*.THydrogen-bonded Turntrans-70.216.9-168.251.10000115Q203Q203-T205 PolarHBondContact O-N 3.35Å
206R44.4Very low69.7Low225 Ų22576 Ų7685%0.84938%0.383SS*.THydrogen-bonded Turntrans-99.8-12.1174.3-64.4-175.1177.7-174.4-0.9113.6S204 R208S204-R206 PolarHBondContact O-N 2.93Å; R206-R208 PolarHBondContact O-N 2.79Å
207S49.8Very low69.5Low58 Ų5876.3 Ų76.341%0.40639%0.387SS..  trans-74107.9179.4-167.70000111.7S204 S209S204-S207 PolarHBondContact O-N 3.35Å; S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 3.05Å; S207-S209 PolarHBondContact OG-OG 2.95Å
208R50.9Low69.2Low250 Ų25082.7 Ų82.794%0.94341%0.414SS*.THydrogen-bonded Turntrans-81.4-0.3178.3-72-179.3173.1154.4-3.3114.1R206R206-R208 PolarHBondContact O-N 2.79Å
209S61.1Low69.3Low53 Ų5385.8 Ų85.837%0.37143%0.426SS..THydrogen-bonded Turntrans-99.812.8-17058.40000115.6S207 L211 S248S207-S209 VanDerWaalsContact C-N 3.29Å; S207-S209 PolarHBondContact O-N 3.05Å; S207-S209 PolarHBondContact OG-OG 2.95Å; S209-L211 PolarHBondContact O-N 2.91Å; S209-S248 WeakPolarHBondContact O-CA 3.29Å
210S70.7Confident69.7Low44 Ų4484.5 Ų84.531%0.30842%0.421SS..PPolyproline II helixtrans-67.6117.9174.9-173.70000110.6Q247S210-Q247 PolarHBondContact OG-OE1 3.08Å
211L77Confident70.7Confident33 Ų3383.5 Ų83.517%0.17341%0.414CS..PPolyproline II helixtrans-81.4143-177.6-64.2165.3000110.9S209 L216 K219 Q247 L249S209-L211 PolarHBondContact O-N 2.91Å; L211-L216 HydrophobicContact CB-CD1 4.46Å; L211-L216 HydrophobicContact CB-CD2 3.77Å; L211-L216 HydrophobicContact CB-CG 3.89Å; L211-L216 HydrophobicContact CD1-CD2 3.78Å; L211-L216 HydrophobicContact CG-CD2 4.4Å; L211-L216 WeakPolarHBondContact O-CD1 3.41Å; L211-K219 HydrophobicContact CD1-CD 4.1Å; L211-Q247 WeakPolarHBondContact CB-O 3.37Å; L211-Q247 PolarHBondContact N-O 3.27Å; L211-L249 HydrophobicContact CD1-CB 4.46Å; L211-L249 HydrophobicContact CD1-CD1 3.91Å; L211-L249 HydrophobicContact CD1-CG 4.3Å
212P79.1Confident72.3Confident74 Ų7483 Ų8348%0.48141%0.407SS..PPolyproline II helixtrans-57.5142.6173.5-23.233.2000111.8K214 E215 L216P212-K214 PolarHBondContact O-N 3.23Å; P212-E215 HydrophobicContact CB-CG 4.38Å; P212-E215 HydrophobicContact CG-CG 4.41Å; P212-E215 WeakPolarHBondContact O-CA 3.35Å; P212-E215 WeakPolarHBondContact O-CB 3.25Å; P212-E215 PolarHBondContact O-N 3.21Å; P212-L216 PolarHBondContact O-N 3.17Å
213F81.2Confident74.2Confident58 Ų5880 Ų8025%0.25439%0.388SS..Hα-helixtrans-54.5-32.7-179-177.7-120.8000113.5L117 N119 L184 E215 L216 L217L117-F213 HydrophobicContact CD2-CD2 4.3Å; L117-F213 HydrophobicContact CD2-CE2 3.78Å; L117-F213 HydrophobicContact CG-CE2 4.07Å; N119-F213 HydrophobicContact CB-CE1 4.29Å; N119-F213 HydrophobicContact CB-CE2 4.34Å; N119-F213 HydrophobicContact CB-CZ 4.02Å; L184-F213 HydrophobicContact CD1-CD2 4.26Å; L184-F213 HydrophobicContact CD2-CD2 3.58Å; L184-F213 HydrophobicContact CD2-CE2 3.68Å; F213-E215 VanDerWaalsContact C-N 3.3Å; F213-E215 PolarHBondContact O-N 3.21Å; F213-L216 PolarHBondContact O-N 3.38Å; F213-L217 HydrophobicContact CD1-CD1 3.96Å; F213-L217 HydrophobicContact CE1-CD1 3.61Å; F213-L217 HydrophobicContact CE1-CG 4.18Å; F213-L217 HydrophobicContact CE2-CD1 4.48Å; F213-L217 HydrophobicContact CE2-CD2 4.4Å; F213-L217 HydrophobicContact CE2-CG 4.16Å; F213-L217 HydrophobicContact CZ-CD1 3.89Å; F213-L217 HydrophobicContact CZ-CD2 4.07Å; F213-L217 HydrophobicContact CZ-CG 3.97Å; F213-L217 WeakPolarHBondContact O-CG 3.3Å; F213-L217 PolarHBondContact O-N 3.26Å
214K81.6Confident76.1Confident162 Ų16277.5 Ų77.570%0.70438%0.377SS*.Hα-helixtrans-69.2-21.3175-170.8168.1-175.5171.50114.2P212 K218P212-K214 PolarHBondContact O-N 3.23Å; K214-K218 WeakPolarHBondContact O-CG 3.18Å
215E85Confident78.4Confident91 Ų9173.6 Ų73.643%0.42535%0.35SS..Hα-helixtrans-88.4-36.7171.5-61.5-168.2169.700111.5P212 F213 L217 K218 K219P212-E215 HydrophobicContact CB-CG 4.38Å; P212-E215 HydrophobicContact CG-CG 4.41Å; P212-E215 WeakPolarHBondContact O-CA 3.35Å; P212-E215 WeakPolarHBondContact O-CB 3.25Å; P212-E215 PolarHBondContact O-N 3.21Å; F213-E215 VanDerWaalsContact C-N 3.3Å; F213-E215 PolarHBondContact O-N 3.21Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.35Å; E215-K218 WeakPolarHBondContact O-CB 3.27Å; E215-K218 PolarHBondContact O-N 3.48Å; E215-K219 PolarHBondContact O-N 3.26Å
216L87.5Confident80.7Confident3 Ų367.5 Ų67.52%0.01631%0.313CS..Hα-helixtrans-59.6-43.8172.1-66.2174.8000111.3L117 L184 L211 P212 F213 K218 K219 L220 L246 L249L117-L216 HydrophobicContact CD2-CB 4.04Å; L184-L216 HydrophobicContact CD1-CD1 3.48Å; L184-L216 VanDerWaalsContact CD1-CD1 3.48Å; L211-L216 HydrophobicContact CB-CD1 4.46Å; L211-L216 HydrophobicContact CB-CD2 3.77Å; L211-L216 HydrophobicContact CB-CG 3.89Å; L211-L216 HydrophobicContact CD1-CD2 3.78Å; L211-L216 HydrophobicContact CG-CD2 4.4Å; L211-L216 WeakPolarHBondContact O-CD1 3.41Å; P212-L216 PolarHBondContact O-N 3.17Å; F213-L216 PolarHBondContact O-N 3.38Å; L216-K218 PolarHBondContact O-N 3.16Å; L216-K219 PolarHBondContact O-N 3.35Å; L216-L220 VanDerWaalsContact O-CB 3.27Å; L216-L220 WeakPolarHBondContact O-CB 3.21Å; L216-L220 PolarHBondContact O-N 3.2Å; L216-L246 VanDerWaalsContact CD2-O 3.32Å; L216-L246 WeakPolarHBondContact CD2-O 3.49Å; L216-L249 HydrophobicContact CD2-CD1 3.47Å; L216-L249 VanDerWaalsContact CD2-CD1 3.47Å; L216-L249 HydrophobicContact CD2-CG 3.82Å
217L86.4Confident83.1Confident48 Ų4857.6 Ų57.625%0.25128%0.275SS..Hα-helixtrans-58.9-29.9172.6-77.2169.2000113.9L117 F213 E215 R221L117-L217 HydrophobicContact CB-CD2 4.28Å; L117-L217 HydrophobicContact CD2-CD2 4.06Å; L117-L217 HydrophobicContact CD2-CG 4.28Å; F213-L217 HydrophobicContact CD1-CD1 3.96Å; F213-L217 HydrophobicContact CE1-CD1 3.61Å; F213-L217 HydrophobicContact CE1-CG 4.18Å; F213-L217 HydrophobicContact CE2-CD1 4.48Å; F213-L217 HydrophobicContact CE2-CD2 4.4Å; F213-L217 HydrophobicContact CE2-CG 4.16Å; F213-L217 HydrophobicContact CZ-CD1 3.89Å; F213-L217 HydrophobicContact CZ-CD2 4.07Å; F213-L217 HydrophobicContact CZ-CG 3.97Å; F213-L217 WeakPolarHBondContact O-CG 3.3Å; F213-L217 PolarHBondContact O-N 3.26Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.35Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 2.91Å
218K87.8Confident85.2Confident135 Ų13555 Ų5559%0.58726%0.257SS*.Hα-helixtrans-77.9-37.8175.8-70.9176.1176.6-173.80112.9K214 E215 L216 R221K214-K218 WeakPolarHBondContact O-CG 3.18Å; E215-K218 WeakPolarHBondContact O-CB 3.27Å; E215-K218 PolarHBondContact O-N 3.48Å; L216-K218 PolarHBondContact O-N 3.16Å; K218-R221 PolarHBondContact O-NE 3.12Å
219K91.1Very high87.2Confident97 Ų9745.8 Ų45.842%0.42222%0.222SC..Hα-helixtrans-77.3-28.6178.3-70.8-177.1176.6-177.50112.6L211 E215 L216 L249 I256L211-K219 HydrophobicContact CD1-CD 4.1Å; E215-K219 PolarHBondContact O-N 3.26Å; L216-K219 PolarHBondContact O-N 3.35Å; K219-L249 HydrophobicContact CB-CD1 3.94Å; K219-L249 HydrophobicContact CD-CD1 3.59Å; K219-L249 HydrophobicContact CG-CD1 4.42Å; K219-I256 HydrophobicContact CB-CD1 4.02Å
220L91.9Very high88.4Confident2 Ų244.4 Ų44.41%0.0122%0.216CC..THydrogen-bonded Turntrans-115.446.8-178.2-57.8172.5000110.8V114 L117 L186 L216 I226 L249 I256V114-L220 HydrophobicContact CG2-CD2 4.42Å; L117-L220 HydrophobicContact CD1-CD1 3.96Å; L117-L220 HydrophobicContact CD2-CB 4.3Å; L117-L220 HydrophobicContact CD2-CD1 3.96Å; L117-L220 HydrophobicContact CG-CD1 4.5Å; L186-L220 HydrophobicContact CD1-CB 4.41Å; L186-L220 HydrophobicContact CD1-CD1 4.36Å; L186-L220 HydrophobicContact CD2-CD1 4.44Å; L186-L220 HydrophobicContact CD2-CD2 4.29Å; L216-L220 VanDerWaalsContact O-CB 3.27Å; L216-L220 WeakPolarHBondContact O-CB 3.21Å; L216-L220 PolarHBondContact O-N 3.2Å; L220-I226 HydrophobicContact CD2-CD1 3.55Å; L220-L249 HydrophobicContact CD1-CD2 4.23Å; L220-L249 HydrophobicContact CD2-CD2 4.31Å; L220-I256 HydrophobicContact CD2-CD1 3.61Å; L220-I256 HydrophobicContact CD2-CG1 4.17Å; L220-I256 HydrophobicContact CG-CD1 4.33Å
221R91.8Very high89.2Confident68 Ų6846 Ų4626%0.25723%0.226SC..  trans-67.3154.3171.5-73.6-179.4-67.7137.36.9110.5V114 L217 K218 G223 V224 E260 L265 Y268V114-R221 WeakPolarHBondContact CG1-O 3.49Å; L217-R221 WeakPolarHBondContact O-CG 3.29Å; L217-R221 PolarHBondContact O-N 2.91Å; K218-R221 PolarHBondContact O-NE 3.12Å; R221-G223 PolarHBondContact O-N 2.64Å; R221-V224 HydrophobicContact CB-CG2 4.2Å; R221-V224 WeakPolarHBondContact O-CB 3.34Å; R221-V224 VanDerWaalsContact O-CG2 3.23Å; R221-V224 WeakPolarHBondContact O-CG2 3.3Å; R221-V224 PolarHBondContact O-N 2.96Å; R221-E260 IonicContact CZ-OE2 2.64Å; R221-E260 IonicContact NH1-OE2 3.5Å; R221-E260 PolarHBondContact NH1-OE2 2.96Å; R221-E260 IonicContact NH2-OE2 3.98Å; R221-E260 PolarHBondContact NH2-OE2 3.03Å; R221-L265 HydrophobicContact CB-CD2 4.15Å; R221-Y268 HydrophobicContact CG-CE2 4.32Å
222P93.6Very high89.8Confident12 Ų1244.9 Ų44.98%0.07822%0.22CC..THydrogen-bonded Turntrans-50.8138.8169.5-27.436.9000111.8V224 L264 Y268P222-V224 PolarHBondContact O-N 2.6Å; P222-L264 HydrophobicContact CB-CB 3.89Å; P222-Y268 HydrophobicContact CG-CD2 4.3Å
223G94.9Very high90.2Very high0 Ų044.9 Ų44.90%022%0.215CC..THydrogen-bonded Turntrans90.9-20.9-178.700000116V114 R221 K225V114-G223 PolarHBondContact O-N 2.8Å; R221-G223 PolarHBondContact O-N 2.64Å; G223-K225 PolarHBondContact O-NZ 3.17Å
224V96.3Very high90.4Very high5 Ų542.3 Ų42.33%0.0320%0.204CC..  trans-57.5138176.7171.90000110.8Q113 V114 R221 P222 I226 I256 G259Q113-V224 CarbonylContact C-O 3.56Å; Q113-V224 WeakPolarHBondContact CA-O 3.35Å; V114-V224 HydrophobicContact CB-CB 4.34Å; V114-V224 HydrophobicContact CG2-CB 4.09Å; V114-V224 HydrophobicContact CG2-CG1 4.42Å; V114-V224 WeakPolarHBondContact CG2-O 3.49Å; V114-V224 PolarHBondContact N-O 2.75Å; R221-V224 HydrophobicContact CB-CG2 4.2Å; R221-V224 WeakPolarHBondContact O-CB 3.34Å; R221-V224 VanDerWaalsContact O-CG2 3.23Å; R221-V224 WeakPolarHBondContact O-CG2 3.3Å; R221-V224 PolarHBondContact O-N 2.96Å; P222-V224 PolarHBondContact O-N 2.6Å; V224-I226 HydrophobicContact CG1-CG1 4.48Å; V224-I256 HydrophobicContact CG1-CG2 3.82Å; V224-G259 WeakPolarHBondContact CG2-O 3.26Å
225K97Very high90.4Very high0 Ų041 Ų410%020%0.195CC..EExtended strand (participates in β ladder)trans-91.5141.5176.6-54.1-54.7-176.4-67.90111.5W67 L68 S70 L72 L112 Q113 G223 L257 G258W67-K225 HydrophobicContact CE3-CG 4.41Å; W67-K225 HydrophobicContact CH2-CB 3.74Å; W67-K225 HydrophobicContact CH2-CD 4.16Å; W67-K225 HydrophobicContact CH2-CG 3.82Å; W67-K225 HydrophobicContact CZ2-CD 4.25Å; W67-K225 HydrophobicContact CZ2-CG 4.36Å; W67-K225 HydrophobicContact CZ3-CB 3.85Å; W67-K225 HydrophobicContact CZ3-CG 3.86Å; L68-K225 HydrophobicContact CD2-CB 3.84Å; L68-K225 HydrophobicContact CD2-CG 3.85Å; L68-K225 PolarHBondContact O-NZ 2.77Å; S70-K225 WeakPolarHBondContact O-CE 3.27Å; S70-K225 PolarHBondContact O-NZ 2.81Å; L72-K225 HydrophobicContact CG-CD 4.42Å; L112-K225 WeakPolarHBondContact O-CA 3.32Å; Q113-K225 HydrophobicContact CB-CD 4.03Å; Q113-K225 HydrophobicContact CG-CD 4.32Å; Q113-K225 VanDerWaalsContact OE1-CE 3.31Å; G223-K225 PolarHBondContact O-NZ 3.17Å; K225-L257 HydrophobicContact CB-CB 4.05Å; K225-L257 WeakPolarHBondContact O-CB 3.26Å; K225-L257 PolarHBondContact O-N 3.17Å; K225-G258 PolarHBondContact N-O 3Å; K225-G258 PolarHBondContact O-N 2.98Å
226I95.9Very high90.2Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-136.3139.1-177.5-68.1-177000109.6C111 L112 V114 L186 L188 L220 V224 L228 L254 E255 I256C111-I226 WeakPolarHBondContact CA-O 3.49Å; L112-I226 PolarHBondContact N-O 2.88Å; L112-I226 PolarHBondContact O-N 3.48Å; V114-I226 HydrophobicContact CG2-CD1 3.41Å; V114-I226 VanDerWaalsContact CG2-CD1 3.41Å; V114-I226 HydrophobicContact CG2-CG1 4.01Å; L186-I226 HydrophobicContact CD2-CD1 3.9Å; L188-I226 HydrophobicContact CD2-CD1 4.2Å; L220-I226 HydrophobicContact CD2-CD1 3.55Å; V224-I226 HydrophobicContact CG1-CG1 4.48Å; I226-L228 HydrophobicContact CG2-CD2 4.43Å; I226-L254 HydrophobicContact CD1-CD2 4.42Å; I226-L254 HydrophobicContact CG2-CD2 4.02Å; I226-L254 HydrophobicContact CG2-CG 3.99Å; I226-E255 CarbonylContact C-O 3.55Å; I226-E255 VanDerWaalsContact CA-O 3.31Å; I226-E255 WeakPolarHBondContact CA-O 3.28Å; I226-E255 WeakPolarHBondContact CG2-O 3.4Å; I226-I256 HydrophobicContact CD1-CG1 4.42Å; I226-I256 HydrophobicContact CG1-CG1 4.29Å
227R95.3Very high90.1Very high16 Ų1642.9 Ų42.96%0.0621%0.208CC..EExtended strand (participates in β ladder)trans-100.9125.9168.9-149.8-179.4-51.4-165-0.2110.5Q25 E109 L110 L254 E255 L257Q25-R227 PolarHBondContact O-NH1 3.03Å; E109-R227 HydrophobicContact CB-CG 4.43Å; E109-R227 WeakPolarHBondContact OE2-CD 3.5Å; E109-R227 IonicContact OE2-CZ 2.67Å; E109-R227 IonicContact OE2-NE 3.49Å; E109-R227 IonicContact OE2-NH1 2.74Å; E109-R227 PolarHBondContact OE2-NH1 2.94Å; L110-R227 WeakPolarHBondContact O-CA 3.2Å; R227-L254 WeakPolarHBondContact O-CA 3.08Å; R227-E255 HydrophobicContact CB-CB 4.32Å; R227-E255 PolarHBondContact N-O 2.77Å; R227-E255 PolarHBondContact O-N 2.89Å; R227-L257 HydrophobicContact CB-CD1 4.05Å; R227-L257 HydrophobicContact CB-CD2 4.12Å; R227-L257 HydrophobicContact CB-CG 4.11Å
228L93.2Very high90.2Very high5 Ų542 Ų423%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-95.5140.8168.7-62.1173.7000109.3E109 L110 L112 L188 I195 I226 L232 L239 Q253 L254E109-L228 CarbonylContact C-O 3.45Å; E109-L228 VanDerWaalsContact CA-O 3.29Å; E109-L228 WeakPolarHBondContact CA-O 3.24Å; L110-L228 PolarHBondContact N-O 2.97Å; L110-L228 PolarHBondContact O-N 2.82Å; L112-L228 HydrophobicContact CD1-CD1 3.58Å; L112-L228 HydrophobicContact CD1-CG 4.49Å; L188-L228 HydrophobicContact CD1-CD1 4.06Å; L188-L228 HydrophobicContact CD1-CD2 4.25Å; L188-L228 HydrophobicContact CD1-CG 4.36Å; I195-L228 HydrophobicContact CD1-CD1 4.46Å; I226-L228 HydrophobicContact CG2-CD2 4.43Å; L228-L232 HydrophobicContact CB-CD1 4.28Å; L228-L232 HydrophobicContact CD2-CD1 4.44Å; L228-L239 HydrophobicContact CD1-CD2 3.53Å; L228-L239 HydrophobicContact CD2-CD2 4.07Å; L228-L239 HydrophobicContact CG-CD2 4.41Å; L228-Q253 WeakPolarHBondContact CA-O 3.49Å; L228-L254 HydrophobicContact CD2-CB 4.47Å; L228-L254 HydrophobicContact CD2-CD1 4.21Å; L228-L254 HydrophobicContact CD2-CG 4.13Å
229R92.2Very high90.3Very high56 Ų5635.6 Ų35.621%0.21118%0.176CC..EExtended strand (participates in β ladder)trans-123.8125.9170.5-53.7-169.4169.275.37111.5E109 H252 Q253 E255E109-R229 HydrophobicContact CG-CG 4.04Å; E109-R229 WeakPolarHBondContact OE1-CD 3.24Å; E109-R229 IonicContact OE1-CZ 2.74Å; E109-R229 IonicContact OE1-NE 3.33Å; E109-R229 PolarHBondContact OE1-NE 2.9Å; E109-R229 IonicContact OE1-NH2 2.67Å; E109-R229 IonicContact OE2-NE 3.13Å; E109-R229 IonicContact OE2-NH2 2.68Å; R229-H252 WeakPolarHBondContact CD-O 3.48Å; R229-H252 WeakPolarHBondContact CG-O 3.47Å; R229-H252 PolarHBondContact NH1-O 3.23Å; R229-Q253 PolarHBondContact N-O 2.88Å; R229-Q253 WeakPolarHBondContact O-CB 3.34Å; R229-Q253 PolarHBondContact O-NE2 2.67Å; R229-E255 IonicContact CZ-OE2 3.67Å; R229-E255 IonicContact NH1-OE2 3.8Å; R229-E255 PolarHBondContact NH1-OE2 2.91Å; R229-E255 IonicContact NH2-OE2 3.1Å; R229-E255 PolarHBondContact NH2-OE2 3.31Å
230G86.3Confident90.3Very high24 Ų2432.4 Ų32.425%0.24716%0.164CC..SBendtrans-66.9168.2173.700000113.5L106 G108L106-G230 VanDerWaalsContact O-CA 3.24Å; L106-G230 WeakPolarHBondContact O-CA 3.49Å; G108-G230 PolarHBondContact O-N 2.99Å
231P88.4Confident90.1Very high78 Ų7832.5 Ų32.551%0.50616%0.164SC..SBendcis-76.5127.31.330-34.4000112.4K105 L106 D107 Q253K105-P231 HydrophobicContact CG-CB 4.45Å; L106-P231 WeakPolarHBondContact O-CA 3.39Å; D107-P231 WeakPolarHBondContact OD1-CA 3.28Å; D107-P231 WeakPolarHBondContact OD1-CB 3.47Å; P231-Q253 PolarHBondContact O-NE2 3.28Å
232L88.6Confident89.7Confident9 Ų931.5 Ų31.55%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-131.1146.6174.5-68.1172.8000110.4L106 L228 L239 V241 Q253L106-L232 PolarHBondContact N-O 2.87Å; L106-L232 PolarHBondContact O-N 2.9Å; L228-L232 HydrophobicContact CB-CD1 4.28Å; L228-L232 HydrophobicContact CD2-CD1 4.44Å; L232-L239 HydrophobicContact CB-CD1 3.77Å; L232-L239 HydrophobicContact CB-CG 4.45Å; L232-L239 HydrophobicContact CD1-CD2 4.16Å; L232-V241 HydrophobicContact CD1-CG1 4.36Å; L232-V241 HydrophobicContact CD2-CG1 4.05Å; L232-Q253 HydrophobicContact CD2-CB 4.22Å
233L87.8Confident88.8Confident73 Ų7333.3 Ų33.338%0.38218%0.179SC..EExtended strand (participates in β ladder)trans-98.1113.2-177.4-168.569.7000111.1A103 L239 L240A103-L233 HydrophobicContact CB-CD1 4.24Å; L233-L239 WeakPolarHBondContact O-CA 3.42Å; L233-L240 HydrophobicContact CD2-CD1 4.14Å; L233-L240 PolarHBondContact O-N 3.42Å
234L86.6Confident87.9Confident5 Ų533.6 Ų33.63%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-97.6103.3174.1-179.568.9000109.5A103 L104 L106 I195 L239A103-L234 CarbonylContact C-O 3.24Å; A103-L234 VanDerWaalsContact CA-O 3.32Å; A103-L234 WeakPolarHBondContact CA-O 3Å; L104-L234 PolarHBondContact N-O 2.8Å; L104-L234 PolarHBondContact O-N 3.16Å; L106-L234 HydrophobicContact CD1-CB 4.15Å; L106-L234 HydrophobicContact CD1-CD2 4.26Å; L106-L234 HydrophobicContact CD2-CB 4.41Å; L106-L234 HydrophobicContact CD2-CD2 4.14Å; L106-L234 HydrophobicContact CG-CB 3.96Å; L106-L234 HydrophobicContact CG-CD2 4.4Å; I195-L234 HydrophobicContact CB-CD1 4.39Å; I195-L234 HydrophobicContact CG2-CD1 3.95Å; L234-L239 HydrophobicContact CB-CD1 4.05Å; L234-L239 HydrophobicContact CD1-CB 4.12Å; L234-L239 HydrophobicContact CD1-CD1 4.33Å
235R81.5Confident87.3Confident134 Ų13433.5 Ų33.551%0.50618%0.181SC..EExtended strand (participates in β ladder)trans-117.1120.3-179-174.8172.1-173.4178.43110.8P102 A103 N237 V238P102-R235 CarbonylContact O-C 3.4Å; P102-R235 WeakPolarHBondContact O-CA 3.22Å; A103-R235 HydrophobicContact CB-CB 4.04Å; A103-R235 HydrophobicContact CB-CG 4Å; R235-N237 VanDerWaalsContact C-N 3.33Å; R235-N237 PolarHBondContact O-N 2.81Å; R235-V238 PolarHBondContact N-O 2.85Å; R235-V238 WeakPolarHBondContact O-CA 3.48Å; R235-V238 VanDerWaalsContact O-CB 3.31Å; R235-V238 WeakPolarHBondContact O-CB 3.38Å; R235-V238 PolarHBondContact O-N 3.21Å
236N81.2Confident86.8Confident88 Ų8833.5 Ų33.547%0.47118%0.181SC..THydrogen-bonded Turntrans50.447.4-177.8-63.3107.2000113.5P102 V238P102-N236 PolarHBondContact O-N 2.83Å; N236-V238 PolarHBondContact O-N 3.2Å; N236-V238 VanDerWaalsContact O-N 3.13Å
237N83.3Confident86.1Confident45 Ų4534.5 Ų34.524%0.24119%0.186CC..THydrogen-bonded Turntrans59.612.4-172.7-61.811.6000115.3T83 I195 K196 R235T83-N237 WeakPolarHBondContact CB-OD1 3.36Å; T83-N237 WeakPolarHBondContact CG2-OD1 3.42Å; T83-N237 PolarHBondContact OG1-ND2 2.75Å; T83-N237 PolarHBondContact OG1-OD1 3.11Å; I195-N237 HydrophobicContact CG2-CB 4.45Å; K196-N237 PolarHBondContact N-O 3.29Å; R235-N237 VanDerWaalsContact C-N 3.33Å; R235-N237 PolarHBondContact O-N 2.81Å
238V89.4Confident85.3Confident30 Ų3034.6 Ų34.618%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-103.7111.9171-170.10000109.6K196 I198 R235 N236 L240K196-V238 HydrophobicContact CB-CG2 4.41Å; K196-V238 HydrophobicContact CD-CG1 4.39Å; K196-V238 HydrophobicContact CD-CG2 4.22Å; K196-V238 CarbonylContact O-C 3.47Å; K196-V238 VanDerWaalsContact O-CA 3.24Å; K196-V238 WeakPolarHBondContact O-CA 3.12Å; I198-V238 HydrophobicContact CD1-CG1 3.69Å; I198-V238 HydrophobicContact CG1-CG1 3.69Å; I198-V238 HydrophobicContact CG2-CG1 4.31Å; R235-V238 PolarHBondContact N-O 2.85Å; R235-V238 WeakPolarHBondContact O-CA 3.48Å; R235-V238 VanDerWaalsContact O-CB 3.31Å; R235-V238 WeakPolarHBondContact O-CB 3.38Å; R235-V238 PolarHBondContact O-N 3.21Å; N236-V238 PolarHBondContact O-N 3.2Å; N236-V238 VanDerWaalsContact O-N 3.13Å; V238-L240 HydrophobicContact CG1-CD2 4.23Å
239L90.2Very high84.8Confident0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-80.8125.2172.4-169.770.1000109.8L106 I195 K196 V197 I198 L228 L232 L233 L234 V241L106-L239 HydrophobicContact CD1-CD1 3.71Å; L106-L239 HydrophobicContact CG-CD1 4.38Å; I195-L239 HydrophobicContact CD1-CB 4.35Å; I195-L239 HydrophobicContact CD1-CD2 4.22Å; K196-L239 PolarHBondContact O-N 3.39Å; V197-L239 WeakPolarHBondContact CA-O 3.38Å; V197-L239 HydrophobicContact CG1-CB 4.47Å; V197-L239 HydrophobicContact CG1-CD2 4.36Å; V197-L239 HydrophobicContact CG2-CB 4.2Å; V197-L239 HydrophobicContact CG2-CD2 4.07Å; I198-L239 PolarHBondContact N-O 3.14Å; L228-L239 HydrophobicContact CD1-CD2 3.53Å; L228-L239 HydrophobicContact CD2-CD2 4.07Å; L228-L239 HydrophobicContact CG-CD2 4.41Å; L232-L239 HydrophobicContact CB-CD1 3.77Å; L232-L239 HydrophobicContact CB-CG 4.45Å; L232-L239 HydrophobicContact CD1-CD2 4.16Å; L233-L239 WeakPolarHBondContact O-CA 3.42Å; L234-L239 HydrophobicContact CB-CD1 4.05Å; L234-L239 HydrophobicContact CD1-CB 4.12Å; L234-L239 HydrophobicContact CD1-CD1 4.33Å; L239-V241 HydrophobicContact CD2-CG1 4.38Å
240L90Very high84.1Confident31 Ų3137.4 Ų37.416%0.16222%0.215CC..EExtended strand (participates in β ladder)trans-93.7121174.2-51.5-173.3000109.2I198 F200 L233 V238I198-L240 HydrophobicContact CD1-CD2 3.79Å; I198-L240 HydrophobicContact CG1-CD2 3.66Å; F200-L240 HydrophobicContact CB-CB 4Å; F200-L240 HydrophobicContact CB-CD1 4.41Å; F200-L240 HydrophobicContact CB-CD2 4.41Å; F200-L240 HydrophobicContact CD1-CD1 4.36Å; F200-L240 HydrophobicContact CD2-CD1 4.07Å; F200-L240 HydrophobicContact CE2-CD1 4.41Å; F200-L240 HydrophobicContact CG-CB 4.47Å; F200-L240 HydrophobicContact CG-CD1 4.04Å; L233-L240 HydrophobicContact CD2-CD1 4.14Å; L233-L240 PolarHBondContact O-N 3.42Å; V238-L240 HydrophobicContact CG1-CD2 4.23Å
241V89.2Confident84Confident3 Ų337.3 Ų37.32%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-111.6157.2172.7-65.10000110.9V197 I198 E199 F200 L232 L239 A245 L246 L254V197-V241 HydrophobicContact CG1-CB 4.38Å; V197-V241 HydrophobicContact CG1-CG1 3.66Å; V197-V241 HydrophobicContact CG1-CG2 3.79Å; I198-V241 WeakPolarHBondContact O-CG2 3.18Å; I198-V241 PolarHBondContact O-N 2.8Å; E199-V241 WeakPolarHBondContact CA-O 3.42Å; E199-V241 HydrophobicContact CG-CG2 4.3Å; F200-V241 PolarHBondContact N-O 3.29Å; L232-V241 HydrophobicContact CD1-CG1 4.36Å; L232-V241 HydrophobicContact CD2-CG1 4.05Å; L239-V241 HydrophobicContact CD2-CG1 4.38Å; V241-A245 HydrophobicContact CB-CB 4.08Å; V241-A245 HydrophobicContact CG2-CB 3.97Å; V241-L246 HydrophobicContact CG2-CG 4.34Å; V241-L254 HydrophobicContact CG1-CD1 4.46Å
242P82.7Confident83.9Confident47 Ų4740.2 Ų40.231%0.30522%0.217SC..  trans-56.7157.9179.5-26.335.1000114.1G244 A245 Q253P242-G244 PolarHBondContact O-N 3.32Å; P242-A245 VanDerWaalsContact O-CB 3.22Å; P242-A245 WeakPolarHBondContact O-CB 3.22Å; P242-A245 PolarHBondContact O-N 3.5Å; P242-A245 VanDerWaalsContact O-N 3.12Å; P242-Q253 VanDerWaalsContact CD-OE1 3.27Å
243P74.1Confident83.9Confident51 Ų5140.8 Ų40.833%0.33122%0.219SC..THydrogen-bonded Turntrans-70.8128.8-174.729.4-31.2000110.6F200 T202 Q203F200-P243 WeakPolarHBondContact O-CD 3.34Å; T202-P243 VanDerWaalsContact O-CG 3.26Å; T202-P243 WeakPolarHBondContact O-CG 3.29Å; Q203-P243 HydrophobicContact CB-CB 4.45Å
244G76.1Confident84Confident5 Ų537.3 Ų37.35%0.05220%0.201CC..THydrogen-bonded Turntrans84.41.9-172.700000115.9E199 P242 Q247 S248E199-G244 WeakPolarHBondContact OE1-CA 3.44Å; E199-G244 PolarHBondContact OE1-N 2.79Å; E199-G244 VanDerWaalsContact OE1-N 3.16Å; E199-G244 PolarHBondContact OE2-N 3.21Å; P242-G244 PolarHBondContact O-N 3.32Å; G244-Q247 PolarHBondContact O-N 3.09Å; G244-S248 WeakPolarHBondContact O-CB 3.26Å; G244-S248 PolarHBondContact O-N 3.15Å; G244-S248 PolarHBondContact O-OG 3.05Å
245A85.1Confident84.3Confident3 Ų340.5 Ų40.53%0.02522%0.216CC..Hα-helixtrans-64.9-39.1176.900000113.3E199 V241 P242 L249E199-A245 PolarHBondContact OE1-N 2.81Å; E199-A245 VanDerWaalsContact OE1-N 3.07Å; V241-A245 HydrophobicContact CB-CB 4.08Å; V241-A245 HydrophobicContact CG2-CB 3.97Å; P242-A245 VanDerWaalsContact O-CB 3.22Å; P242-A245 WeakPolarHBondContact O-CB 3.22Å; P242-A245 PolarHBondContact O-N 3.5Å; P242-A245 VanDerWaalsContact O-N 3.12Å; A245-L249 WeakPolarHBondContact O-CA 3.4Å; A245-L249 PolarHBondContact O-N 3.27Å
246L85.3Confident84.9Confident0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-79.3-34.8173.6-65.7178000111.6L184 L186 V197 E199 L216 V241 L249 L254L184-L246 HydrophobicContact CB-CD1 4.25Å; L186-L246 HydrophobicContact CB-CD1 4.22Å; L186-L246 HydrophobicContact CB-CD2 3.94Å; L186-L246 HydrophobicContact CD2-CD2 3.63Å; L186-L246 HydrophobicContact CG-CD2 4.46Å; V197-L246 HydrophobicContact CG1-CD2 4.49Å; E199-L246 HydrophobicContact CG-CB 4.02Å; E199-L246 HydrophobicContact CG-CD1 4.13Å; E199-L246 HydrophobicContact CG-CG 4.05Å; E199-L246 WeakPolarHBondContact OE1-CA 3.34Å; E199-L246 WeakPolarHBondContact OE1-CB 3.3Å; E199-L246 PolarHBondContact OE1-N 3.15Å; L216-L246 VanDerWaalsContact CD2-O 3.32Å; L216-L246 WeakPolarHBondContact CD2-O 3.49Å; V241-L246 HydrophobicContact CG2-CG 4.34Å; L246-L249 WeakPolarHBondContact O-CD2 3.18Å; L246-L254 HydrophobicContact CD2-CD1 3.58Å
247Q80.6Confident85.6Confident22 Ų2233.4 Ų33.410%0.10319%0.187CC..Hα-helixtrans-73.9-40.1-177.2-67.4178.249.800114E199 Q203 S210 L211 G244E199-Q247 PolarHBondContact OE1-N 3.47Å; E199-Q247 PolarHBondContact OE2-NE2 3.34Å; Q203-Q247 VanDerWaalsContact NE2-OE1 3.14Å; S210-Q247 PolarHBondContact OG-OE1 3.08Å; L211-Q247 WeakPolarHBondContact CB-O 3.37Å; L211-Q247 PolarHBondContact N-O 3.27Å; G244-Q247 PolarHBondContact O-N 3.09Å
248S79.5Confident86Confident18 Ų1832.4 Ų32.413%0.12619%0.188CC..Hα-helixtrans-93.8-23-178.567.50000113.5S209 G244 S250S209-S248 WeakPolarHBondContact O-CA 3.29Å; G244-S248 WeakPolarHBondContact O-CB 3.26Å; G244-S248 PolarHBondContact O-N 3.15Å; G244-S248 PolarHBondContact O-OG 3.05Å; S248-S250 PolarHBondContact O-N 2.92Å; S248-S250 PolarHBondContact O-OG 2.85Å; S248-S250 PolarHBondContact OG-N 3.38Å
249L83.7Confident86.1Confident30 Ų3031.9 Ų31.916%0.15719%0.189CC..  trans50.725.4-170.8-57.5171.2000113.2L211 L216 K219 L220 A245 L246 L254 I256L211-L249 HydrophobicContact CD1-CB 4.46Å; L211-L249 HydrophobicContact CD1-CD1 3.91Å; L211-L249 HydrophobicContact CD1-CG 4.3Å; L216-L249 HydrophobicContact CD2-CD1 3.47Å; L216-L249 VanDerWaalsContact CD2-CD1 3.47Å; L216-L249 HydrophobicContact CD2-CG 3.82Å; K219-L249 HydrophobicContact CB-CD1 3.94Å; K219-L249 HydrophobicContact CD-CD1 3.59Å; K219-L249 HydrophobicContact CG-CD1 4.42Å; L220-L249 HydrophobicContact CD1-CD2 4.23Å; L220-L249 HydrophobicContact CD2-CD2 4.31Å; A245-L249 WeakPolarHBondContact O-CA 3.4Å; A245-L249 PolarHBondContact O-N 3.27Å; L246-L249 WeakPolarHBondContact O-CD2 3.18Å; L249-L254 HydrophobicContact CD2-CD2 4.15Å; L249-I256 HydrophobicContact CD1-CD1 3.62Å; L249-I256 HydrophobicContact CD2-CD1 4Å; L249-I256 HydrophobicContact CD2-CG1 4.49Å; L249-I256 HydrophobicContact CG-CD1 4.25Å
250S76.9Confident86.1Confident90 Ų9034.9 Ų34.963%0.62920%0.203SC*.  trans-111.211.5-174.5-55.10000112.2S248S248-S250 PolarHBondContact O-N 2.92Å; S248-S250 PolarHBondContact O-OG 2.85Å; S248-S250 PolarHBondContact OG-N 3.38Å
251S82.8Confident86.3Confident22 Ų2233.6 Ų33.615%0.15420%0.196CC..  trans-89.7128.1178.9-178.40000110.6Q253 L254S251-Q253 PolarHBondContact O-N 3.39Å; S251-Q253 PolarHBondContact OG-N 2.8Å; S251-L254 CarbonylContact O-C 3.56Å; S251-L254 PolarHBondContact O-N 3.18Å; S251-L254 VanDerWaalsContact O-O 3.08Å
252H86.5Confident86.2Confident139 Ų13935.1 Ų35.164%0.64420%0.204SC*.THydrogen-bonded Turntrans-57.1-21.217463.4-91.6000113.5R229R229-H252 WeakPolarHBondContact CD-O 3.48Å; R229-H252 WeakPolarHBondContact CG-O 3.47Å; R229-H252 PolarHBondContact NH1-O 3.23Å
253Q88.7Confident86.5Confident20 Ų2037.3 Ų37.39%0.09321%0.21CC..THydrogen-bonded Turntrans-80.2-11.7176.7-58.1-160.1-68.400114.6L228 R229 P231 L232 P242 S251L228-Q253 WeakPolarHBondContact CA-O 3.49Å; R229-Q253 PolarHBondContact N-O 2.88Å; R229-Q253 WeakPolarHBondContact O-CB 3.34Å; R229-Q253 PolarHBondContact O-NE2 2.67Å; P231-Q253 PolarHBondContact O-NE2 3.28Å; L232-Q253 HydrophobicContact CD2-CB 4.22Å; P242-Q253 VanDerWaalsContact CD-OE1 3.27Å; S251-Q253 PolarHBondContact O-N 3.39Å; S251-Q253 PolarHBondContact OG-N 2.8Å
254L90.2Very high87.2Confident0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans-145.293.7178.4-167.5157.7000109.5V197 I226 R227 L228 V241 L246 L249 S251V197-L254 HydrophobicContact CG1-CD1 4.5Å; I226-L254 HydrophobicContact CD1-CD2 4.42Å; I226-L254 HydrophobicContact CG2-CD2 4.02Å; I226-L254 HydrophobicContact CG2-CG 3.99Å; R227-L254 WeakPolarHBondContact O-CA 3.08Å; L228-L254 HydrophobicContact CD2-CB 4.47Å; L228-L254 HydrophobicContact CD2-CD1 4.21Å; L228-L254 HydrophobicContact CD2-CG 4.13Å; V241-L254 HydrophobicContact CG1-CD1 4.46Å; L246-L254 HydrophobicContact CD2-CD1 3.58Å; L249-L254 HydrophobicContact CD2-CD2 4.15Å; S251-L254 CarbonylContact O-C 3.56Å; S251-L254 PolarHBondContact O-N 3.18Å; S251-L254 VanDerWaalsContact O-O 3.08Å
255E92.6Very high87.7Confident72 Ų7238.8 Ų38.834%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-102131.7-179.2177.8-179.2-165.200110.2I226 R227 R229 L257I226-E255 CarbonylContact C-O 3.55Å; I226-E255 VanDerWaalsContact CA-O 3.31Å; I226-E255 WeakPolarHBondContact CA-O 3.28Å; I226-E255 WeakPolarHBondContact CG2-O 3.4Å; R227-E255 HydrophobicContact CB-CB 4.32Å; R227-E255 PolarHBondContact N-O 2.77Å; R227-E255 PolarHBondContact O-N 2.89Å; R229-E255 IonicContact CZ-OE2 3.67Å; R229-E255 IonicContact NH1-OE2 3.8Å; R229-E255 PolarHBondContact NH1-OE2 2.91Å; R229-E255 IonicContact NH2-OE2 3.1Å; R229-E255 PolarHBondContact NH2-OE2 3.31Å; E255-L257 HydrophobicContact CG-CD2 4.27Å
256I94.7Very high87.6Confident54 Ų5444 Ų4428%0.27724%0.238SC..EExtended strand (participates in β ladder)trans-83.3121170.9-63.3-177.1000108.8K219 L220 V224 I226 L249K219-I256 HydrophobicContact CB-CD1 4.02Å; L220-I256 HydrophobicContact CD2-CD1 3.61Å; L220-I256 HydrophobicContact CD2-CG1 4.17Å; L220-I256 HydrophobicContact CG-CD1 4.33Å; V224-I256 HydrophobicContact CG1-CG2 3.82Å; I226-I256 HydrophobicContact CD1-CG1 4.42Å; I226-I256 HydrophobicContact CG1-CG1 4.29Å; L249-I256 HydrophobicContact CD1-CD1 3.62Å; L249-I256 HydrophobicContact CD2-CD1 4Å; L249-I256 HydrophobicContact CD2-CG1 4.49Å; L249-I256 HydrophobicContact CG-CD1 4.25Å
257L95.1Very high87.4Confident19 Ų1949.1 Ų49.110%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-87-17.4177.1-62.6-178.1000112.8Y64 W67 L68 K225 R227 E255Y64-L257 WeakPolarHBondContact OH-CB 3.48Å; Y64-L257 PolarHBondContact OH-O 3.1Å; W67-L257 HydrophobicContact CH2-CD1 3.96Å; W67-L257 HydrophobicContact CZ3-CD1 3.91Å; L68-L257 HydrophobicContact CD2-CB 4.03Å; K225-L257 HydrophobicContact CB-CB 4.05Å; K225-L257 WeakPolarHBondContact O-CB 3.26Å; K225-L257 PolarHBondContact O-N 3.17Å; R227-L257 HydrophobicContact CB-CD1 4.05Å; R227-L257 HydrophobicContact CB-CD2 4.12Å; R227-L257 HydrophobicContact CB-CG 4.11Å; E255-L257 HydrophobicContact CG-CD2 4.27Å
258G93.3Very high87.6Confident25 Ų2550.5 Ų50.526%0.25827%0.27SS..EExtended strand (participates in β ladder)trans92.6-147179.600000112.6K225K225-G258 PolarHBondContact N-O 3Å; K225-G258 PolarHBondContact O-N 2.98Å
259G91.4Very high87.7Confident19 Ų1955 Ų5520%0.19629%0.289CS..  trans71.7163.9-172.200000113.9V224V224-G259 WeakPolarHBondContact CG2-O 3.26Å
260E89.7Confident87.7Confident63 Ų6357 Ų5729%0.29430%0.297SS..  trans-147.6151.2170.861.5-170.1-178.500110.2H69 R221 L265H69-E260 WeakPolarHBondContact CA-O 3.44Å; H69-E260 PolarHBondContact CD2-O 3.04Å; R221-E260 IonicContact CZ-OE2 2.64Å; R221-E260 IonicContact NH1-OE2 3.5Å; R221-E260 PolarHBondContact NH1-OE2 2.96Å; R221-E260 IonicContact NH2-OE2 3.98Å; R221-E260 PolarHBondContact NH2-OE2 3.03Å; E260-L265 HydrophobicContact CB-CD1 4.12Å; E260-L265 HydrophobicContact CG-CD1 4.19Å
261V93.2Very high88Confident4 Ų456.5 Ų56.52%0.02429%0.287CS..  trans-112.5104.1178.8176.30000107.4D71 E263 L264 L265D71-V261 HydrophobicContact CB-CG1 3.8Å; D71-V261 HydrophobicContact CB-CG2 4.4Å; V261-E263 VanDerWaalsContact C-N 3.26Å; V261-E263 HydrophobicContact CG1-CB 4.45Å; V261-E263 PolarHBondContact O-N 3.3Å; V261-L264 HydrophobicContact CB-CB 4.44Å; V261-L264 HydrophobicContact CB-CD1 4.08Å; V261-L264 HydrophobicContact CB-CG 4.2Å; V261-L264 HydrophobicContact CG1-CB 4.43Å; V261-L264 HydrophobicContact CG1-CD1 3.99Å; V261-L264 HydrophobicContact CG1-CG 3.82Å; V261-L264 PolarHBondContact O-N 2.79Å; V261-L265 PolarHBondContact O-N 3.07Å
262D89Confident88.2Confident34 Ų3456 Ų5618%0.18228%0.283CS..Hα-helixtrans-49.5-43.5-173.7-82.9-59.4000113.7L264 L265 R558D262-L264 PolarHBondContact O-N 3.45Å; D262-L265 PolarHBondContact O-N 2.94Å; D262-L265 VanDerWaalsContact O-N 3.08Å; D262-R558 VanDerWaalsContact CG-NH1 3.25Å; D262-R558 WeakPolarHBondContact OD1-CD 3.5Å; D262-R558 IonicContact OD1-CZ 3.73Å; D262-R558 IonicContact OD1-NE 2.85Å; D262-R558 IonicContact OD1-NH1 3.96Å; D262-R558 PolarHBondContact OD1-NH1 2.99Å; D262-R558 VanDerWaalsContact OD2-CD 3.24Å; D262-R558 WeakPolarHBondContact OD2-CD 3.42Å; D262-R558 IonicContact OD2-NE 2.68Å
263E88Confident88.2Confident93 Ų9350.6 Ų50.644%0.43526%0.259SS..Hα-helixtrans-60.2-25.4179.5-61.7176.7-157.900113.3Q74 V261Q74-E263 PolarHBondContact NE2-OE1 3.24Å; Q74-E263 PolarHBondContact NE2-OE2 2.84Å; V261-E263 VanDerWaalsContact C-N 3.26Å; V261-E263 HydrophobicContact CG1-CB 4.45Å; V261-E263 PolarHBondContact O-N 3.3Å
264L89Confident88Confident55 Ų5552.5 Ų52.529%0.28827%0.266SS..Hα-helixtrans-95.7-8.7179.6-56.6-179.3000113.1P222 V261 D262 Y268P222-L264 HydrophobicContact CB-CB 3.89Å; V261-L264 HydrophobicContact CB-CB 4.44Å; V261-L264 HydrophobicContact CB-CD1 4.08Å; V261-L264 HydrophobicContact CB-CG 4.2Å; V261-L264 HydrophobicContact CG1-CB 4.43Å; V261-L264 HydrophobicContact CG1-CD1 3.99Å; V261-L264 HydrophobicContact CG1-CG 3.82Å; V261-L264 PolarHBondContact O-N 2.79Å; D262-L264 PolarHBondContact O-N 3.45Å; L264-Y268 WeakPolarHBondContact O-CB 3.24Å
265L86.5Confident87.9Confident32 Ų3255.4 Ų55.417%0.16828%0.279CS..Hα-helixtrans-86.3-22.5177.7-65.6-175.4000113.1R221 E260 V261 D262 N267 Y268R221-L265 HydrophobicContact CB-CD2 4.15Å; E260-L265 HydrophobicContact CB-CD1 4.12Å; E260-L265 HydrophobicContact CG-CD1 4.19Å; V261-L265 PolarHBondContact O-N 3.07Å; D262-L265 PolarHBondContact O-N 2.94Å; D262-L265 VanDerWaalsContact O-N 3.08Å; L265-N267 PolarHBondContact O-N 2.72Å; L265-Y268 PolarHBondContact O-N 3.21Å
266E83.1Confident87.6Confident114 Ų11452 Ų5253%0.53326%0.263SS..THydrogen-bonded Turntrans-66.2117.7-179.2-62.6-169-176.800110.6Y268 N271 R558E266-Y268 PolarHBondContact O-N 2.99Å; E266-Y268 VanDerWaalsContact O-N 3.17Å; E266-N271 PolarHBondContact O-ND2 2.71Å; E266-R558 IonicContact OE1-CZ 2.72Å; E266-R558 IonicContact OE1-NH2 3.86Å; E266-R558 PolarHBondContact OE1-NH2 2.92Å
267N80.2Confident87.3Confident106 Ų10649.4 Ų49.457%0.56725%0.25SC*.THydrogen-bonded Turntrans48.833.3-170.7-6412000114.7L265 E269 E270 N271L265-N267 PolarHBondContact O-N 2.72Å; N267-E269 PolarHBondContact O-N 3.06Å; N267-E269 VanDerWaalsContact O-N 3.09Å; N267-E270 HydrophobicContact CB-CB 4.34Å; N267-E270 PolarHBondContact ND2-OE2 3.46Å; N267-E270 PolarHBondContact O-N 2.96Å; N267-N271 PolarHBondContact O-N 3Å; N267-N271 PolarHBondContact O-ND2 3.37Å
268Y85.2Confident86.9Confident52 Ų5250.5 Ų50.520%0.20425%0.254CS..Hα-helixtrans-54.7-35.4-172.685.9-76.9000114.1R221 P222 L264 L265 E266 N271 T272R221-Y268 HydrophobicContact CG-CE2 4.32Å; P222-Y268 HydrophobicContact CG-CD2 4.3Å; L264-Y268 WeakPolarHBondContact O-CB 3.24Å; L265-Y268 PolarHBondContact O-N 3.21Å; E266-Y268 PolarHBondContact O-N 2.99Å; E266-Y268 VanDerWaalsContact O-N 3.17Å; Y268-N271 PolarHBondContact O-N 3.4Å; Y268-T272 WeakPolarHBondContact O-CB 3.35Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 2.97Å
269E82.7Confident86.5Confident113 Ų11351.4 Ų51.453%0.52825%0.253SS..Hα-helixtrans-65.8-41.6177.5-57.2-173.5-175.100112.1N267 M273N267-E269 PolarHBondContact O-N 3.06Å; N267-E269 VanDerWaalsContact O-N 3.09Å; E269-M273 WeakPolarHBondContact O-CG 3.08Å; E269-M273 PolarHBondContact O-N 2.87Å; E269-M273 VanDerWaalsContact O-N 3.08Å
270E82.2Confident86.4Confident70 Ų7051.5 Ų51.533%0.32725%0.249SC..Hα-helixtrans-66.6-40.8174.2-58.7-174.2145.200110.7N267 M273 Y274 I301N267-E270 HydrophobicContact CB-CB 4.34Å; N267-E270 PolarHBondContact ND2-OE2 3.46Å; N267-E270 PolarHBondContact O-N 2.96Å; E270-M273 PolarHBondContact O-N 2.74Å; E270-Y274 WeakPolarHBondContact O-CB 3.41Å; E270-Y274 PolarHBondContact O-N 3.24Å; E270-I301 WeakPolarHBondContact O-CG2 3.45Å
271N84.9Confident86.2Confident80 Ų8048.5 Ų48.543%0.42824%0.235SC..Hα-helixtrans-65.9-43.9177.1-69.1-30.3000112.2E266 N267 Y268 M273 Y274 E275E266-N271 PolarHBondContact O-ND2 2.71Å; N267-N271 PolarHBondContact O-N 3Å; N267-N271 PolarHBondContact O-ND2 3.37Å; Y268-N271 PolarHBondContact O-N 3.4Å; N271-M273 VanDerWaalsContact C-N 3.31Å; N271-M273 PolarHBondContact O-N 2.99Å; N271-Y274 WeakPolarHBondContact O-CB 3.31Å; N271-Y274 PolarHBondContact O-N 2.92Å; N271-Y274 VanDerWaalsContact O-N 3.13Å; N271-E275 PolarHBondContact O-N 3.15Å
272T85.9Confident85.8Confident11 Ų1152.7 Ų52.77%0.06726%0.257CS..Hα-helixtrans-57.6-45.1173.3-65.70000110.2N116 F118 Y268 E275 V276N116-T272 WeakPolarHBondContact OD1-CB 3.32Å; N116-T272 PolarHBondContact OD1-OG1 2.85Å; F118-T272 HydrophobicContact CD1-CG2 3.95Å; F118-T272 HydrophobicContact CE1-CG2 3.66Å; Y268-T272 WeakPolarHBondContact O-CB 3.35Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 2.97Å; T272-E275 PolarHBondContact O-N 3.13Å; T272-V276 WeakPolarHBondContact O-CG2 3.41Å; T272-V276 PolarHBondContact O-N 2.97Å
273M85.8Confident85.6Confident26 Ų2654.3 Ų54.313%0.12826%0.262CS..Hα-helixtrans-67.2-35.4175.1-67.7-64.5101.600113L128 H131 E269 E270 N271 E275 V276 G277 I301L128-M273 HydrophobicContact CD2-CB 4.38Å; L128-M273 WeakPolarHBondContact CD2-O 3.18Å; H131-M273 HydrophobicContact CB-CG 4.03Å; H131-M273 HydrophobicContact CB-SD 3.8Å; E269-M273 WeakPolarHBondContact O-CG 3.08Å; E269-M273 PolarHBondContact O-N 2.87Å; E269-M273 VanDerWaalsContact O-N 3.08Å; E270-M273 PolarHBondContact O-N 2.74Å; N271-M273 VanDerWaalsContact C-N 3.31Å; N271-M273 PolarHBondContact O-N 2.99Å; M273-E275 VanDerWaalsContact C-N 3.34Å; M273-E275 PolarHBondContact O-N 2.88Å; M273-V276 HydrophobicContact CE-CG2 4Å; M273-V276 WeakPolarHBondContact O-CB 3.47Å; M273-V276 PolarHBondContact O-N 2.95Å; M273-G277 PolarHBondContact O-N 2.84Å; M273-I301 HydrophobicContact CB-CG1 4.08Å; M273-I301 HydrophobicContact CB-CG2 4.27Å
274Y86.2Confident85.6Confident61 Ų6154.7 Ų54.724%0.23927%0.266CS..Hα-helixtrans-63.4-39.9175.5-175.2-120.2000111.9E270 N271 G277 K278 S293 L294E270-Y274 WeakPolarHBondContact O-CB 3.41Å; E270-Y274 PolarHBondContact O-N 3.24Å; N271-Y274 WeakPolarHBondContact O-CB 3.31Å; N271-Y274 PolarHBondContact O-N 2.92Å; N271-Y274 VanDerWaalsContact O-N 3.13Å; Y274-G277 CarbonylContact O-C 3.56Å; Y274-G277 WeakPolarHBondContact O-CA 3.26Å; Y274-G277 PolarHBondContact O-N 3.31Å; Y274-K278 HydrophobicContact CD1-CD 4.44Å; Y274-K278 HydrophobicContact CE1-CD 4.35Å; Y274-K278 PolarHBondContact O-N 3.34Å; Y274-S293 VanDerWaalsContact OH-CA 3.28Å; Y274-S293 WeakPolarHBondContact OH-CA 3.32Å; Y274-S293 VanDerWaalsContact OH-CB 3.28Å; Y274-S293 WeakPolarHBondContact OH-CB 3.04Å; Y274-L294 HydrophobicContact CD2-CD1 3.87Å; Y274-L294 HydrophobicContact CE2-CD1 3.96Å; Y274-L294 HydrophobicContact CE2-CG 4.25Å
275E86.8Confident85.4Confident61 Ų6157.3 Ų57.329%0.28528%0.281SS..Hα-helixtrans-69.6-36.7172.2-63.1-48.7131.300112.7F118 N271 T272 M273 G277 K278 L279F118-E275 HydrophobicContact CZ-CB 4.11Å; N271-E275 PolarHBondContact O-N 3.15Å; T272-E275 PolarHBondContact O-N 3.13Å; M273-E275 VanDerWaalsContact C-N 3.34Å; M273-E275 PolarHBondContact O-N 2.88Å; E275-G277 PolarHBondContact O-N 3.35Å; E275-K278 PolarHBondContact O-N 2.88Å; E275-K278 WeakPolarHBondContact OE1-CD 3.49Å; E275-K278 IonicContact OE1-NZ 3.35Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 WeakPolarHBondContact OE2-CD 3.18Å; E275-K278 IonicContact OE2-NZ 2.67Å; E275-K278 PolarHBondContact OE2-NZ 3.49Å; E275-L279 WeakPolarHBondContact O-CB 3.48Å; E275-L279 VanDerWaalsContact O-CG 3.25Å; E275-L279 WeakPolarHBondContact O-CG 3.1Å; E275-L279 PolarHBondContact O-N 3.27Å
276V87.1Confident85.2Confident0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-58.1-39.4167.2174.80000110.7F118 Y124 L128 T272 M273 L279 L280F118-V276 HydrophobicContact CD1-CG2 3.34Å; F118-V276 HydrophobicContact CE1-CG2 3.45Å; F118-V276 VanDerWaalsContact CE1-CG2 3.45Å; F118-V276 HydrophobicContact CG-CG2 4.12Å; F118-V276 HydrophobicContact CZ-CG2 4.31Å; Y124-V276 HydrophobicContact CD1-CG1 4.23Å; Y124-V276 HydrophobicContact CG-CG1 4.02Å; L128-V276 HydrophobicContact CD1-CG1 4.31Å; L128-V276 HydrophobicContact CD2-CB 4.35Å; L128-V276 HydrophobicContact CD2-CG1 4.2Å; L128-V276 HydrophobicContact CG-CG1 3.94Å; T272-V276 WeakPolarHBondContact O-CG2 3.41Å; T272-V276 PolarHBondContact O-N 2.97Å; M273-V276 HydrophobicContact CE-CG2 4Å; M273-V276 WeakPolarHBondContact O-CB 3.47Å; M273-V276 PolarHBondContact O-N 2.95Å; V276-L279 PolarHBondContact O-N 3.46Å; V276-L280 WeakPolarHBondContact O-CB 3.23Å; V276-L280 PolarHBondContact O-N 3.19Å
277G87.4Confident85.1Confident0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-60.7-51174.600000112.9M273 Y274 E275 L279 L280 A281 F298M273-G277 PolarHBondContact O-N 2.84Å; Y274-G277 CarbonylContact O-C 3.56Å; Y274-G277 WeakPolarHBondContact O-CA 3.26Å; Y274-G277 PolarHBondContact O-N 3.31Å; E275-G277 PolarHBondContact O-N 3.35Å; G277-L279 PolarHBondContact O-N 3.4Å; G277-L280 PolarHBondContact O-N 3.23Å; G277-A281 WeakPolarHBondContact O-CB 3.26Å; G277-A281 PolarHBondContact O-N 3.43Å; G277-F298 VanDerWaalsContact O-CZ 3.26Å; G277-F298 WeakPolarHBondContact O-CZ 3.35Å
278K86.8Confident85.1Confident41 Ų4154 Ų5418%0.17827%0.272CS..Hα-helixtrans-59.9-44.4174.2-74.8164.8170.3175.40112.3Y274 E275 L280 A281 N282 L288 L294Y274-K278 HydrophobicContact CD1-CD 4.44Å; Y274-K278 HydrophobicContact CE1-CD 4.35Å; Y274-K278 PolarHBondContact O-N 3.34Å; E275-K278 PolarHBondContact O-N 2.88Å; E275-K278 WeakPolarHBondContact OE1-CD 3.49Å; E275-K278 IonicContact OE1-NZ 3.35Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 WeakPolarHBondContact OE2-CD 3.18Å; E275-K278 IonicContact OE2-NZ 2.67Å; E275-K278 PolarHBondContact OE2-NZ 3.49Å; K278-L280 VanDerWaalsContact C-N 3.29Å; K278-L280 PolarHBondContact O-N 3.08Å; K278-A281 PolarHBondContact O-N 2.99Å; K278-N282 WeakPolarHBondContact O-CB 3.45Å; K278-N282 PolarHBondContact O-N 3.24Å; K278-N282 PolarHBondContact O-ND2 2.93Å; K278-L288 HydrophobicContact CG-CD1 4.49Å; K278-L288 HydrophobicContact CG-CD2 4.46Å; K278-L294 HydrophobicContact CG-CD2 4.5Å
279L86.5Confident84.8Confident45 Ų4554.2 Ų54.224%0.23628%0.279CS..Hα-helixtrans-62.8-35.7177.6-73.9169.7000112.2F118 Y124 E275 V276 G277 K283F118-L279 HydrophobicContact CD2-CD1 4.01Å; F118-L279 HydrophobicContact CE2-CD1 3.39Å; F118-L279 HydrophobicContact CZ-CD1 3.88Å; Y124-L279 HydrophobicContact CD2-CB 4.16Å; Y124-L279 HydrophobicContact CE2-CB 3.76Å; E275-L279 WeakPolarHBondContact O-CB 3.48Å; E275-L279 VanDerWaalsContact O-CG 3.25Å; E275-L279 WeakPolarHBondContact O-CG 3.1Å; E275-L279 PolarHBondContact O-N 3.27Å; V276-L279 PolarHBondContact O-N 3.46Å; G277-L279 PolarHBondContact O-N 3.4Å; L279-K283 WeakPolarHBondContact O-CB 3.47Å; L279-K283 VanDerWaalsContact O-CG 3.31Å; L279-K283 WeakPolarHBondContact O-CG 3.21Å; L279-K283 PolarHBondContact O-N 3.5Å; L279-K283 VanDerWaalsContact O-N 3.15Å
280L88.4Confident84.1Confident21 Ų2153.2 Ų53.211%0.1130%0.299CS..Hα-helixtrans-70.9-46.4172.3177.861.7000111.8Y124 Y125 L128 V276 G277 K278 N282 K283 L284 F298Y124-L280 HydrophobicContact CD2-CB 4.21Å; Y125-L280 HydrophobicContact CD2-CD2 4.39Å; L128-L280 HydrophobicContact CD1-CD2 3.63Å; V276-L280 WeakPolarHBondContact O-CB 3.23Å; V276-L280 PolarHBondContact O-N 3.19Å; G277-L280 PolarHBondContact O-N 3.23Å; K278-L280 VanDerWaalsContact C-N 3.29Å; K278-L280 PolarHBondContact O-N 3.08Å; L280-N282 PolarHBondContact O-N 3.23Å; L280-K283 PolarHBondContact O-N 2.9Å; L280-L284 HydrophobicContact CD1-CD1 3.69Å; L280-L284 HydrophobicContact CD1-CG 3.98Å; L280-L284 HydrophobicContact CG-CD1 3.9Å; L280-L284 HydrophobicContact CG-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.15Å; L280-F298 HydrophobicContact CB-CZ 4.06Å; L280-F298 HydrophobicContact CD2-CZ 3.89Å; L280-F298 HydrophobicContact CG-CZ 3.95Å
281A85.2Confident83.6Confident0 Ų055.3 Ų55.30%031%0.312CS..Hα-helixtrans-57.7-49.3177.800000111.5G277 K278 K283 L284 N285 I286 L288 L294 F298G277-A281 WeakPolarHBondContact O-CB 3.26Å; G277-A281 PolarHBondContact O-N 3.43Å; K278-A281 PolarHBondContact O-N 2.99Å; A281-K283 PolarHBondContact O-N 2.93Å; A281-L284 CarbonylContact O-C 3.59Å; A281-L284 PolarHBondContact O-N 2.79Å; A281-L284 VanDerWaalsContact O-N 3.09Å; A281-N285 PolarHBondContact O-N 2.83Å; A281-N285 VanDerWaalsContact O-N 3.07Å; A281-I286 HydrophobicContact CB-CB 4.12Å; A281-I286 HydrophobicContact CB-CG2 4.42Å; A281-I286 PolarHBondContact O-N 2.82Å; A281-L288 HydrophobicContact CB-CD2 4.16Å; A281-L294 HydrophobicContact CB-CD2 3.57Å; A281-F298 HydrophobicContact CB-CE2 3.8Å; A281-F298 HydrophobicContact CB-CZ 4.02Å
282N85Confident82.9Confident91 Ų9156.9 Ų56.949%0.48732%0.321SS..Hα-helixtrans-59.3-44.2176.1-67.7-11000111.6K278 L280 L284 N285K278-N282 WeakPolarHBondContact O-CB 3.45Å; K278-N282 PolarHBondContact O-N 3.24Å; K278-N282 PolarHBondContact O-ND2 2.93Å; L280-N282 PolarHBondContact O-N 3.23Å; N282-L284 PolarHBondContact O-N 2.77Å; N282-N285 PolarHBondContact O-N 3.42Å; N282-N285 VanDerWaalsContact O-N 3.12Å
283K85.1Confident82.6Confident69 Ų6957.6 Ų57.630%0.333%0.327SS..Hα-helixtrans-69.3-16.2176.8-78.8-174.9179.2-66.30114.8Y124 L279 L280 A281 H414Y124-K283 HydrophobicContact CE2-CD 3.96Å; L279-K283 WeakPolarHBondContact O-CB 3.47Å; L279-K283 VanDerWaalsContact O-CG 3.31Å; L279-K283 WeakPolarHBondContact O-CG 3.21Å; L279-K283 PolarHBondContact O-N 3.5Å; L279-K283 VanDerWaalsContact O-N 3.15Å; L280-K283 PolarHBondContact O-N 2.9Å; A281-K283 PolarHBondContact O-N 2.93Å; K283-H414 WeakPolarHBondContact CE-O 3.46Å; K283-H414 PolarHBondContact NZ-O 3.06Å
284L87Confident82.3Confident100 Ų10057.4 Ų57.452%0.52433%0.326SS..THydrogen-bonded Turntrans-100.53.1173.6-66.7177000112.6L280 A281 N282 I286L280-L284 HydrophobicContact CD1-CD1 3.69Å; L280-L284 HydrophobicContact CD1-CG 3.98Å; L280-L284 HydrophobicContact CG-CD1 3.9Å; L280-L284 HydrophobicContact CG-CG 4.49Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.15Å; A281-L284 CarbonylContact O-C 3.59Å; A281-L284 PolarHBondContact O-N 2.79Å; A281-L284 VanDerWaalsContact O-N 3.09Å; N282-L284 PolarHBondContact O-N 2.77Å; L284-I286 HydrophobicContact CB-CD1 3.63Å; L284-I286 HydrophobicContact CB-CG1 3.86Å; L284-I286 HydrophobicContact CD1-CD1 3.73Å; L284-I286 HydrophobicContact CG-CD1 4.34Å; L284-I286 PolarHBondContact O-N 2.82Å
285N84.7Confident81.9Confident111 Ų11155.3 Ų55.359%0.59432%0.32SS*.THydrogen-bonded Turntrans54.330.6-171.6-55.1-71.1000113.7A281 N282 P287A281-N285 PolarHBondContact O-N 2.83Å; A281-N285 VanDerWaalsContact O-N 3.07Å; N282-N285 PolarHBondContact O-N 3.42Å; N282-N285 VanDerWaalsContact O-N 3.12Å; N285-P287 WeakPolarHBondContact O-CD 3.07Å
286I83.7Confident81.2Confident28 Ų2857.8 Ų57.814%0.14434%0.344CS..PPolyproline II helixtrans-79.9118.6174-65.3162.8000107.7A281 L284 L288 P295 W297 F298A281-I286 HydrophobicContact CB-CB 4.12Å; A281-I286 HydrophobicContact CB-CG2 4.42Å; A281-I286 PolarHBondContact O-N 2.82Å; L284-I286 HydrophobicContact CB-CD1 3.63Å; L284-I286 HydrophobicContact CB-CG1 3.86Å; L284-I286 HydrophobicContact CD1-CD1 3.73Å; L284-I286 HydrophobicContact CG-CD1 4.34Å; L284-I286 PolarHBondContact O-N 2.82Å; I286-L288 PolarHBondContact O-N 3.43Å; I286-P295 HydrophobicContact CG2-CG 3.8Å; I286-W297 HydrophobicContact CD1-CH2 3.66Å; I286-W297 HydrophobicContact CD1-CZ2 4.46Å; I286-W297 HydrophobicContact CD1-CZ3 4.45Å; I286-W297 HydrophobicContact CG1-CH2 4.1Å; I286-W297 HydrophobicContact CG2-CH2 4.12Å; I286-W297 HydrophobicContact CG2-CZ2 3.86Å; I286-F298 HydrophobicContact CD1-CD2 4.14Å; I286-F298 HydrophobicContact CD1-CE2 3.78Å
287P80.5Confident80.4Confident105 Ų10566.3 Ų66.368%0.68238%0.376SS*.PPolyproline II helixtrans-67.4134.7-179.727.6-34.1000110.9N285N285-P287 WeakPolarHBondContact O-CD 3.07Å
288L80.8Confident79.7Confident49 Ų4966.7 Ų66.726%0.25738%0.378SS..PPolyproline II helixtrans-70.4151167.6-57.5-179.1000109.9K278 A281 I286 S293 L294K278-L288 HydrophobicContact CG-CD1 4.49Å; K278-L288 HydrophobicContact CG-CD2 4.46Å; A281-L288 HydrophobicContact CB-CD2 4.16Å; I286-L288 PolarHBondContact O-N 3.43Å; L288-S293 WeakPolarHBondContact CA-O 3.48Å; L288-L294 HydrophobicContact CD2-CD2 3.79Å; L288-L294 HydrophobicContact CD2-CG 4.47Å
289T78Confident78.7Confident57 Ų5765.4 Ų65.435%0.3537%0.373SS..BIsolated β-bridgetrans-70.8159171.454.40000110.4N291 N292 S293T289-N291 WeakPolarHBondContact CB-OD1 3.44Å; T289-N291 PolarHBondContact O-N 2.8Å; T289-N291 PolarHBondContact O-OD1 3.32Å; T289-N291 PolarHBondContact OG1-OD1 3.45Å; T289-N292 WeakPolarHBondContact O-CA 3.4Å; T289-N292 PolarHBondContact O-N 3.48Å; T289-S293 PolarHBondContact N-O 3.37Å; T289-S293 PolarHBondContact OG1-O 2.86Å; T289-S293 PolarHBondContact OG1-OG 3.28Å
290G67.7Low77.4Confident92 Ų9272 Ų7295%0.94840%0.395SS*.THydrogen-bonded Turntrans-61.5-2-168.400000117.6
291N72.5Confident75.9Confident113 Ų11372 Ų7260%0.60440%0.395SS*.THydrogen-bonded Turntrans-103.419.1170.863-35000112.6T289 S293T289-N291 WeakPolarHBondContact CB-OD1 3.44Å; T289-N291 PolarHBondContact O-N 2.8Å; T289-N291 PolarHBondContact O-OD1 3.32Å; T289-N291 PolarHBondContact OG1-OD1 3.45Å; N291-S293 WeakPolarHBondContact ND2-CB 3.1Å; N291-S293 PolarHBondContact ND2-OG 3.5Å; N291-S293 PolarHBondContact O-N 2.86Å; N291-S293 PolarHBondContact OD1-OG 3.41Å
292N69.8Low73.9Confident113 Ų11375.9 Ų75.960%0.60442%0.423SS*.THydrogen-bonded Turntrans55.226.7-171.4-71.1-14.3000114.9T289T289-N292 WeakPolarHBondContact O-CA 3.4Å; T289-N292 PolarHBondContact O-N 3.48Å
293S79.5Confident71.7Confident27 Ų2776.8 Ų76.819%0.18944%0.436CS..BIsolated β-bridgetrans-97.6160.4175.976.60000114.1Y274 L288 T289 N291Y274-S293 VanDerWaalsContact OH-CA 3.28Å; Y274-S293 WeakPolarHBondContact OH-CA 3.32Å; Y274-S293 VanDerWaalsContact OH-CB 3.28Å; Y274-S293 WeakPolarHBondContact OH-CB 3.04Å; L288-S293 WeakPolarHBondContact CA-O 3.48Å; T289-S293 PolarHBondContact N-O 3.37Å; T289-S293 PolarHBondContact OG1-O 2.86Å; T289-S293 PolarHBondContact OG1-OG 3.28Å; N291-S293 WeakPolarHBondContact ND2-CB 3.1Å; N291-S293 PolarHBondContact ND2-OG 3.5Å; N291-S293 PolarHBondContact O-N 2.86Å; N291-S293 PolarHBondContact OD1-OG 3.41Å
294L80.3Confident69.2Low22 Ų2284.5 Ų84.512%0.11546%0.463CS..PPolyproline II helixtrans-72.8145.6177.6-67.7163.4000110.6Y274 K278 A281 L288 F298 I301Y274-L294 HydrophobicContact CD2-CD1 3.87Å; Y274-L294 HydrophobicContact CE2-CD1 3.96Å; Y274-L294 HydrophobicContact CE2-CG 4.25Å; K278-L294 HydrophobicContact CG-CD2 4.5Å; A281-L294 HydrophobicContact CB-CD2 3.57Å; L288-L294 HydrophobicContact CD2-CD2 3.79Å; L288-L294 HydrophobicContact CD2-CG 4.47Å; L294-F298 HydrophobicContact CB-CB 4.26Å; L294-F298 HydrophobicContact CB-CD1 4.21Å; L294-F298 HydrophobicContact CB-CG 4.3Å; L294-F298 HydrophobicContact CD1-CD1 3.87Å; L294-F298 HydrophobicContact CD1-CE1 4.03Å; L294-F298 HydrophobicContact CD2-CD1 3.93Å; L294-F298 HydrophobicContact CD2-CD2 4.44Å; L294-F298 HydrophobicContact CD2-CE1 3.92Å; L294-F298 HydrophobicContact CD2-CE2 4.42Å; L294-F298 HydrophobicContact CD2-CG 4.2Å; L294-F298 HydrophobicContact CD2-CZ 4.16Å; L294-F298 HydrophobicContact CG-CD1 4.22Å; L294-I301 HydrophobicContact CD1-CD1 3.62Å
295P76.5Confident66.6Low17 Ų1787 Ų8711%0.1147%0.472CS..PPolyproline II helixtrans-56.3145.2173.4-26.235.5000112.5I286 W297 F298I286-P295 HydrophobicContact CG2-CG 3.8Å; P295-W297 HydrophobicContact CB-CD2 4.36Å; P295-W297 HydrophobicContact CB-CG 4.3Å; P295-W297 HydrophobicContact CB-CZ2 4.37Å; P295-W297 VanDerWaalsContact CB-NE1 3.31Å; P295-W297 HydrophobicContact CG-CZ2 4.43Å; P295-W297 PolarHBondContact O-N 3.1Å; P295-F298 WeakPolarHBondContact O-CB 3.35Å; P295-F298 PolarHBondContact O-N 3.43Å
296S72.2Confident63.9Low113 Ų11389.8 Ų89.879%0.7949%0.486SS*.THydrogen-bonded Turntrans-64.5-12.7-174.655.50000115.8
297W71Confident61.2Low178 Ų17896.4 Ų96.467%0.67452%0.516SS*.THydrogen-bonded Turntrans-90.8-14.9173.162.2-101.2000113.7I286 P295I286-W297 HydrophobicContact CD1-CH2 3.66Å; I286-W297 HydrophobicContact CD1-CZ2 4.46Å; I286-W297 HydrophobicContact CD1-CZ3 4.45Å; I286-W297 HydrophobicContact CG1-CH2 4.1Å; I286-W297 HydrophobicContact CG2-CH2 4.12Å; I286-W297 HydrophobicContact CG2-CZ2 3.86Å; P295-W297 HydrophobicContact CB-CD2 4.36Å; P295-W297 HydrophobicContact CB-CG 4.3Å; P295-W297 HydrophobicContact CB-CZ2 4.37Å; P295-W297 VanDerWaalsContact CB-NE1 3.31Å; P295-W297 HydrophobicContact CG-CZ2 4.43Å; P295-W297 PolarHBondContact O-N 3.1Å
298F73.1Confident58.8Low8 Ų896.2 Ų96.24%0.03552%0.517CS..SBendtrans-63.4152.2-179.4-162.3-92.8000110.2L128 G277 L280 A281 I286 L294 P295 R300L128-F298 HydrophobicContact CD1-CE1 4.15Å; G277-F298 VanDerWaalsContact O-CZ 3.26Å; G277-F298 WeakPolarHBondContact O-CZ 3.35Å; L280-F298 HydrophobicContact CB-CZ 4.06Å; L280-F298 HydrophobicContact CD2-CZ 3.89Å; L280-F298 HydrophobicContact CG-CZ 3.95Å; A281-F298 HydrophobicContact CB-CE2 3.8Å; A281-F298 HydrophobicContact CB-CZ 4.02Å; I286-F298 HydrophobicContact CD1-CD2 4.14Å; I286-F298 HydrophobicContact CD1-CE2 3.78Å; L294-F298 HydrophobicContact CB-CB 4.26Å; L294-F298 HydrophobicContact CB-CD1 4.21Å; L294-F298 HydrophobicContact CB-CG 4.3Å; L294-F298 HydrophobicContact CD1-CD1 3.87Å; L294-F298 HydrophobicContact CD1-CE1 4.03Å; L294-F298 HydrophobicContact CD2-CD1 3.93Å; L294-F298 HydrophobicContact CD2-CD2 4.44Å; L294-F298 HydrophobicContact CD2-CE1 3.92Å; L294-F298 HydrophobicContact CD2-CE2 4.42Å; L294-F298 HydrophobicContact CD2-CG 4.2Å; L294-F298 HydrophobicContact CD2-CZ 4.16Å; L294-F298 HydrophobicContact CG-CD1 4.22Å; P295-F298 WeakPolarHBondContact O-CB 3.35Å; P295-F298 PolarHBondContact O-N 3.43Å; F298-R300 PolarHBondContact O-N 3.04Å
299P65.9Low56.3Low14 Ų14100 Ų1009%0.09155%0.548CS..  trans-38.2122.1170-3638.4000112.6Y125 L128 E132 I301Y125-P299 HydrophobicContact CD2-CG 4.02Å; Y125-P299 HydrophobicContact CE2-CG 3.83Å; L128-P299 HydrophobicContact CB-CB 4.35Å; L128-P299 HydrophobicContact CD1-CB 4.34Å; E132-P299 WeakPolarHBondContact OE1-CA 3.45Å; E132-P299 WeakPolarHBondContact OE1-CB 3.37Å; P299-I301 PolarHBondContact O-N 3.03Å
300R59.6Low54Low184 Ų184101.8 Ų101.869%0.69457%0.568SS**  trans-83.484.5-163.8-73.3-172.9176.3-177.40.3111.5E132 F298 S302E132-R300 PolarHBondContact OE1-N 2.96Å; F298-R300 PolarHBondContact O-N 3.04Å; R300-S302 PolarHBondContact O-N 3Å
301I55.8Low52.3Low20 Ų20101 Ų10110%0.10356%0.56CS.*  trans-57.2123146-48.198.7000106.5L128 E270 M273 L294 P299 S303L128-I301 HydrophobicContact CD2-CD1 3.77Å; L128-I301 HydrophobicContact CD2-CG1 3.81Å; E270-I301 WeakPolarHBondContact O-CG2 3.45Å; M273-I301 HydrophobicContact CB-CG1 4.08Å; M273-I301 HydrophobicContact CB-CG2 4.27Å; L294-I301 HydrophobicContact CD1-CD1 3.62Å; P299-I301 PolarHBondContact O-N 3.03Å; I301-S303 PolarHBondContact O-N 3.3Å
302S43.6Very low50.3Low83 Ų83102.8 Ų102.858%0.5857%0.57SS**  trans-79.595.4-158.5-77.40000112.5R300 R304R300-S302 PolarHBondContact O-N 3Å; S302-R304 PolarHBondContact O-N 2.89Å
303S38.1Very low48.6Very low109 Ų109105.2 Ų105.276%0.76258%0.583SS**  trans-64.377.5165.7-51.60000111.1I301 Q305I301-S303 PolarHBondContact O-N 3.3Å; S303-Q305 PolarHBondContact O-N 3.01Å
304R33.7Very low46.4Very low232 Ų232109 Ų10988%0.87561%0.607SS**  trans-63.4117.1162.1-164.1-175.5-59.4-108.93.5106.2S302 L306S302-R304 PolarHBondContact O-N 2.89Å; R304-L306 PolarHBondContact O-N 3.27Å
305Q31.8Very low44.1Very low151 Ų151115.3 Ų115.371%0.70664%0.64SS**  trans-56.9134.6-161.7-69158-93.700112.4S303 H307S303-Q305 PolarHBondContact O-N 3.01Å; Q305-H307 VanDerWaalsContact C-N 3.31Å; Q305-H307 PolarHBondContact O-N 3.33Å
306L28.8Very low42.1Very low171 Ų171119.7 Ų119.790%0.89567%0.668SS**  trans-5899.1154.8-92.3163.8000107.7R304 S308R304-L306 PolarHBondContact O-N 3.27Å; L306-S308 PolarHBondContact O-N 2.79Å
307H26.7Very low40Very low167 Ų167121 Ų12177%0.77367%0.666SS**  trans-70.782.1165.6-86.7-82.1000108.5Q305 S309Q305-H307 VanDerWaalsContact C-N 3.31Å; Q305-H307 PolarHBondContact O-N 3.33Å; H307-S309 PolarHBondContact O-N 2.9Å
308S30.3Very low38.1Very low101 Ų101119.8 Ų119.871%0.70667%0.672SS**  trans-60.4105.3168.254.20000108.9L306 A310L306-S308 PolarHBondContact O-N 2.79Å; S308-A310 PolarHBondContact O-N 3.1Å
309S26.7Very low36.2Very low129 Ų129127.1 Ų127.190%0.90271%0.706SS**  trans-6795.8178.2175.50000110.7H307H307-S309 PolarHBondContact O-N 2.9Å
310A31Very low34.6Very low93 Ų93133 Ų13377%0.76974%0.742SS**  trans-156.9135.717200000111.2S308S308-A310 PolarHBondContact O-N 3.1Å
311G31.4Very low33.2Very low76 Ų76129.3 Ų129.378%0.78474%0.742SS**  trans100.795168.300000115
312D30.6Very low31.9Very low151 Ų151132.6 Ų132.681%0.80777%0.767SS**  trans-63.3146.2168.8-52.3-94.2000112.5
313N33.3Very low31.2Very low163 Ų163136.5 Ų136.587%0.87278%0.776SS**  175.9123.7126.9-94.6-62.4000110.3
314P33.2Very low30.9Very low108 Ų108139.4 Ų139.470%0.70178%0.777SS**  trans-109.9171.3-175.841.5-35.9000114.8
315L33Very low30.5Very low154 Ų154133.3 Ų133.381%0.80677%0.77SS**  trans77.6155.2163.5-59.3173.1000118.5
316P34.3Very low30.6Very low108 Ų108134.3 Ų134.370%0.70178%0.78SS**  cis-134.2157.8-20.429.5-9.4000117
317N27.8Very low30.6Very low140 Ų140136.6 Ų136.675%0.74978%0.779SS**  trans-2.5142148.2-48.3-10.6000121
318L31.4Very low30.8Very low154 Ų154135 Ų13581%0.80678%0.781SS**  -178147.1120.5-114.770.4000107.1
319E32.4Very low30.9Very low161 Ų161133.6 Ų133.675%0.75278%0.775SS**  cis-157.1158.4-9.5-155.6163.3178.600108.9
320V32.7Very low31.1Very low138 Ų138134.2 Ų134.284%0.83677%0.768SS**  trans-141.4123176.9179.10000111.4
321P31.1Very low31.3Very low106 Ų106136.3 Ų136.369%0.68877%0.771SS**  trans-138.1164140.817.64.3000112.6
322S27.4Very low31.3Very low90 Ų90139.6 Ų139.663%0.62977%0.766SS**  cis169.8140-28.851.20000106.9
323E28.6Very low31.5Very low165 Ų165139 Ų13977%0.77176%0.758SS**  trans64.7161166.2-59.8178.2-155.200116.1
324Q31.9Very low31.4Very low169 Ų169137 Ų13779%0.7975%0.748SS**  cis-132.2164.811.9-112.3119.251.600111.9
325S27Very low31.2Very low104 Ų104137.1 Ų137.173%0.72775%0.749SS**  trans-87.4152.8176.152.90000113.6
326N32.8Very low30.9Very low172 Ų172137 Ų13792%0.9275%0.75SS**  trans-154.3158.5142.1-100.8-46.7000110.5
327Y28.7Very low30.8Very low220 Ų220139.2 Ų139.286%0.86376%0.756SS**  trans-126.5-174.1-163.3-139-98.8000111
328V31.7Very low30.8Very low134 Ų134140.4 Ų140.481%0.81276%0.762SS**  trans79.7138.1170.6-1740000114.7
329A32.1Very low30.8Very low71 Ų71140.5 Ų140.559%0.58776%0.762SS**  cis-167.3-167.2-25.500000109.2
330D31.7Very low30.5Very low142 Ų142138.9 Ų138.976%0.75976%0.763SS**  trans73.1147.2167.2-51-29.8000116.1
331V34Very low30.5Very low137 Ų137139.5 Ų139.583%0.8376%0.762SS**  cis-126.9152.618.4-176.50000112.7
332Q32.4Very low30.4Very low144 Ų144140 Ų14067%0.67377%0.768SS**  trans-69.4-167.9172.5-56.1148.4-77.200111.9
333Q33.7Very low30.4Very low139 Ų139138.6 Ų138.665%0.6577%0.768SS**  cis-164176.59.8-137.2170.475.200104.9
334N31.8Very low30.5Very low122 Ų122139.1 Ų139.165%0.65278%0.776SS**  cis-142.2147.17.7-98.9-62.2000106.1
335C28.9Very low30.4Very low109 Ų109134.6 Ų134.674%0.73677%0.774SS**  95.1131.951.5-71.70000115.9
336N27.2Very low30.6Very low152 Ų152141.5 Ų141.581%0.81379%0.785SS**  trans-64.9164.9-175.5-44.4-41.7000114
337N32Very low30.4Very low154 Ų154139.9 Ų139.982%0.82478%0.776SS**  trans-151.3124.6149.2-95.8-48.2000112.5
338N26.9Very low30.7Very low166 Ų166135.6 Ų135.689%0.88878%0.775SS**  trans-105.8123.7166.3-81.7-22.6000108.3
339I32.7Very low30.5Very low156 Ų156137 Ų13780%0.878%0.777SS**  trans-138.6133165.6-61.8-175.6000109.9
340T26.2Very low30.5Very low126 Ų126139.6 Ų139.677%0.77379%0.791SS**  trans-103.6131.2176.750.50000111.7
341N32Very low30.3Very low152 Ų152137.5 Ų137.581%0.81379%0.787SS**  trans-166.1130.3151.7-93.8-35.4000107.3
342S28.2Very low30.2Very low116 Ų116137.8 Ų137.881%0.81179%0.789SS**  83.810953.2-172.20000113.3
343G28.9Very low30Very low61 Ų61141 Ų14163%0.62980%0.795SS**  trans118.7106.6153.800000118.4
344N29.6Very low29.6Very low176 Ų176143.6 Ų143.694%0.94180%0.804SS**  trans49.4123.1141.5-52.8-20.7000120.7
345G30.3Very low29.5Very low74 Ų74144 Ų14476%0.76381%0.814SS**  trans-139.4-45.6-17900000119.4
346R31.6Very low29.3Very low249 Ų249146.2 Ų146.294%0.9482%0.818SS**  trans72.4143.3-171.2-56.9175.6170.8156-2.5116.9
347D28.8Very low29.4Very low138 Ų138144.1 Ų144.174%0.73882%0.815SS**  trans-72175.8167.4-42.3-95.3000112.1
348P35Very low29Very low129 Ų129141.8 Ų141.884%0.83881%0.806SS**  -136.1135.790.736.5-24.9000116.2
349L27Very low29Very low164 Ų164140.2 Ų140.286%0.85980%0.802SS**  trans-33.9141.8159.7-57.9160.6000115.2
350S32.1Very low28.8Very low126 Ų126137.1 Ų137.188%0.88179%0.794SS**  trans-131.4145.4149.668.20000109.4
351S26.8Very low28.9Very low98 Ų98137.6 Ų137.669%0.68580%0.797SS**  trans-136.9124.4-163.4-172.10000113.4
352V31.4Very low28.8Very low143 Ų143133.9 Ų133.987%0.86780%0.795SS**  trans-147.1105.3167.6-1770000104.1
353R28.7Very low28.8Very low211 Ų211135 Ų13580%0.79679%0.792SS**  cis72121.333.1-160.5-179.2-78.2-148.5-0.2113.2
354F25.8Very low28.9Very low193 Ų193141.1 Ų141.185%0.84680%0.801SS**  trans-58.7172.6-174.6-50.9-92.7000114.6
355P29.3Very low28.9Very low130 Ų130136.8 Ų136.884%0.84480%0.798SS**  -127.916298.338.1-33.9000115.6
356L24.2Very low28.8Very low157 Ų157136.7 Ų136.782%0.82280%0.798SS**  trans-115.9134.2171.8179.679.4000108.2
357S29.8Very low28.9Very low107 Ų107131.8 Ų131.875%0.74880%0.795SS**  trans-162.5112.8174.151.90000107.7
358T24.4Very low28.9Very low106 Ų106129.2 Ų129.265%0.6580%0.801SS**  cis81.9125.124.8-27.80000114.3
359V25.9Very low28.6Very low133 Ų133126.4 Ų126.481%0.80680%0.795SS**  trans75.6136.1173.3-168.70000114
360S29.5Very low28.6Very low90 Ų90125.1 Ų125.163%0.62980%0.8SS**  cis-147137.413.9-139.90000116.4
361T27.9Very low28.5Very low136 Ų136121.9 Ų121.983%0.83479%0.787SS**  trans29.5137.513262.90000124.3
362G29.7Very low28.5Very low75 Ų75122.4 Ų122.477%0.77379%0.79SS**  trans137.269.6156.300000113.4
363D27.5Very low28.5Very low139 Ų139122.4 Ų122.474%0.74379%0.79SS**  86.2135.575.1-172.940.4000114.3
364K32.3Very low28.4Very low189 Ų189116.2 Ų116.282%0.82278%0.779SS**  trans64.3127.4-175.7-52.5172.3-168.3174.50115.7
365G28.3Very low28.7Very low85 Ų85113.1 Ų113.188%0.87678%0.779SS**  cis138.9125.4-7.500000112.2
366G28.7Very low28.8Very low73 Ų73115 Ų11575%0.75378%0.776SS**  trans151.4111.217200000115.8
367V33.7Very low29.1Very low146 Ų146114.1 Ų114.189%0.88577%0.772SS**  trans42.4105149.4-167.20000118.4
368G27.9Very low29.4Very low84 Ų84116.3 Ų116.387%0.86676%0.764SS**  trans-85.6130.2156.100000111
369G29.8Very low29.8Very low69 Ų69117.9 Ų117.971%0.71177%0.768SS**  trans-125.2141.3175.600000111.7G371G369-G371 PolarHBondContact O-N 3.35Å
370S27.9Very low30.4Very low138 Ų138116.1 Ų116.197%0.96575%0.754SS**  trans-71.7122.4174-1720000109.9
371G29Very low31Very low58 Ų58120.8 Ų120.860%0.59877%0.766SS**  trans-132104.7-174.900000112.4G369 V373G369-G371 PolarHBondContact O-N 3.35Å; G371-V373 PolarHBondContact O-N 3.08Å
372S27.9Very low31.5Very low108 Ų108120.6 Ų120.676%0.75576%0.758SS**  trans-64.2121161.352.10000109S374S372-S374 VanDerWaalsContact C-N 3.34Å; S372-S374 PolarHBondContact O-N 2.92Å
373V29.8Very low32Very low144 Ų144118.4 Ų118.487%0.87373%0.728SS**  trans-74.787.2-177.4-175.30000110.4G371G371-V373 PolarHBondContact O-N 3.08Å
374S27.2Very low33.3Very low81 Ų81115.4 Ų115.457%0.56671%0.711SS**  trans-62.3140.4160-63.70000109.5S372 E376S372-S374 VanDerWaalsContact C-N 3.34Å; S372-S374 PolarHBondContact O-N 2.92Å; S374-E376 PolarHBondContact O-N 2.81Å
375P32.9Very low34.1Very low128 Ų128110.7 Ų110.783%0.83170%0.695SS**SBendtrans-80.851.8-175.935-37.6000112.5
376E30.8Very low35.3Very low169 Ų169109 Ų10979%0.7967%0.673SS**  trans-145.762.4-166-161.5162.1-132.400112.3S374S374-E376 PolarHBondContact O-N 2.81Å
377L30.1Very low36.3Very low139 Ų139107.1 Ų107.173%0.72865%0.645SS**  trans-159.2100.4168.4-117.7162.4000109.8D379L377-D379 WeakPolarHBondContact CD2-OD2 3.5Å
378W37.1Very low37.2Very low153 Ų153101.6 Ų101.658%0.5861%0.611SS**  trans-146.748.6-179.3-71.796.7000111.1H390W378-H390 AromaticContact CH2-ND1 3.67Å
379D32.9Very low38.4Very low138 Ų13899.9 Ų99.974%0.73859%0.586SS**  trans-66.6148-179.2-59.4-42000112.1L377 E381L377-D379 WeakPolarHBondContact CD2-OD2 3.5Å; D379-E381 PolarHBondContact O-N 3.25Å; D379-E381 VanDerWaalsContact O-N 3.1Å
380D38.2Very low39.5Very low96 Ų96100.5 Ų100.551%0.51357%0.57SS.*THydrogen-bonded Turntrans-78.51.9-146.6-104.8-53.7000117.5R785D380-R785 IonicContact OD1-NH1 2.69Å; D380-R785 PolarHBondContact OD1-NH1 3.15Å
381E41.9Very low40.4Very low188 Ų18895.1 Ų95.188%0.87953%0.534SS*.THydrogen-bonded Turntrans-96-8.9-160-62.7-152.6137.100117.8D379D379-E381 PolarHBondContact O-N 3.25Å; D379-E381 VanDerWaalsContact O-N 3.1Å
382I38.7Very low41.3Very low133 Ų13392.8 Ų92.868%0.68251%0.509SS*.  trans-12174.7-176.6-48.7-177.5000111.9A386I382-A386 HydrophobicContact CG2-CB 4.15Å
383F40.1Very low42.5Very low29 Ų2991.7 Ų91.713%0.12749%0.492CS..  trans-107.366.3-178.7-148.8-71.2000112.9I387 S766 R785F383-I387 HydrophobicContact CB-CD1 4.14Å; F383-I387 HydrophobicContact CD1-CD1 3.98Å; F383-I387 HydrophobicContact CD2-CD1 3.2Å; F383-I387 HydrophobicContact CE1-CD1 4.12Å; F383-I387 HydrophobicContact CE2-CD1 3.37Å; F383-I387 HydrophobicContact CG-CD1 3.51Å; F383-I387 HydrophobicContact CZ-CD1 3.83Å; F383-S766 VanDerWaalsContact CE1-OG 3.31Å; F383-S766 WeakPolarHBondContact CE1-OG 3.41Å; F383-R785 HydrophobicContact CD2-CG 4.35Å; F383-R785 HydrophobicContact CE2-CB 4.21Å; F383-R785 HydrophobicContact CE2-CG 3.59Å; F383-R785 HydrophobicContact CZ-CB 4.35Å; F383-R785 HydrophobicContact CZ-CG 3.79Å
384D53.3Low43.6Very low75 Ų7586.8 Ų86.840%0.40146%0.464SS..SBendtrans-131.4-155.8169.5-109.7-47.2000112.2A386 I387 R763 K767D384-A386 PolarHBondContact O-N 2.74Å; D384-I387 PolarHBondContact O-N 3.03Å; D384-R763 IonicContact OD1-CZ 3.3Å; D384-R763 IonicContact OD1-NE 3.71Å; D384-R763 IonicContact OD1-NH2 3.03Å; D384-R763 PolarHBondContact OD1-NH2 3.26Å; D384-K767 WeakPolarHBondContact OD1-CE 3.42Å; D384-K767 IonicContact OD1-NZ 2.84Å; D384-K767 PolarHBondContact OD1-NZ 2.72Å; D384-K767 IonicContact OD2-NZ 3.64Å; D384-K767 PolarHBondContact OD2-NZ 2.81Å
385D51Low44.7Very low90 Ų9083.6 Ų83.648%0.48144%0.44SS..THydrogen-bonded Turntrans-55.4-19.2-175.5-66.9-64.7000113.6I387 L388 S389 R763D385-I387 PolarHBondContact O-N 2.74Å; D385-I387 VanDerWaalsContact O-N 3.1Å; D385-L388 PolarHBondContact O-N 2.84Å; D385-S389 VanDerWaalsContact O-CB 3.23Å; D385-S389 WeakPolarHBondContact O-CB 3.48Å; D385-S389 PolarHBondContact O-N 3.49Å; D385-R763 IonicContact OD1-CZ 3.89Å; D385-R763 VanDerWaalsContact OD1-CZ 3.3Å; D385-R763 IonicContact OD1-NH1 3.92Å; D385-R763 PolarHBondContact OD1-NH1 3.02Å; D385-R763 IonicContact OD1-NH2 2.92Å; D385-R763 PolarHBondContact OD1-NH2 3.18Å; D385-R763 IonicContact OD2-CZ 2.74Å; D385-R763 IonicContact OD2-NH1 2.76Å; D385-R763 IonicContact OD2-NH2 3.72Å; D385-R763 PolarHBondContact OD2-NH2 3.43Å
386A52.1Low45.7Very low50 Ų5082.8 Ų82.841%0.41343%0.425SS..Hα-helixtrans-46.7-28.9163.300000114.4I382 D384 H390I382-A386 HydrophobicContact CG2-CB 4.15Å; D384-A386 PolarHBondContact O-N 2.74Å; A386-H390 WeakPolarHBondContact O-CA 3.29Å; A386-H390 WeakPolarHBondContact O-CB 3.31Å; A386-H390 PolarHBondContact O-N 2.91Å
387I51Low46.8Very low33 Ų3380.9 Ų80.917%0.16941%0.414CS..Hα-helixtrans-84.8-37178.1-69.3-178.3000112.7F383 D384 D385 S389 A391F383-I387 HydrophobicContact CB-CD1 4.14Å; F383-I387 HydrophobicContact CD1-CD1 3.98Å; F383-I387 HydrophobicContact CD2-CD1 3.2Å; F383-I387 HydrophobicContact CE1-CD1 4.12Å; F383-I387 HydrophobicContact CE2-CD1 3.37Å; F383-I387 HydrophobicContact CG-CD1 3.51Å; F383-I387 HydrophobicContact CZ-CD1 3.83Å; D384-I387 PolarHBondContact O-N 3.03Å; D385-I387 PolarHBondContact O-N 2.74Å; D385-I387 VanDerWaalsContact O-N 3.1Å; I387-S389 VanDerWaalsContact C-N 3.33Å; I387-A391 WeakPolarHBondContact O-CB 3.43Å; I387-A391 PolarHBondContact O-N 3.02Å
388L51.6Low47.5Very low31 Ų3179.5 Ų79.516%0.16240%0.404CS..Hα-helixtrans-69.4-36.5169.6-75.1168.9000110.4D385 A392 L792D385-L388 PolarHBondContact O-N 2.84Å; L388-A392 WeakPolarHBondContact O-CB 3.3Å; L388-A392 PolarHBondContact O-N 2.95Å; L388-L792 HydrophobicContact CD2-CD1 4.16Å
389S53.4Low47.9Very low48 Ų4874.2 Ų74.234%0.33639%0.387SS..Hα-helixtrans-71.7-35.5173.7-168.10000112.8D385 I387 A392 Q393D385-S389 VanDerWaalsContact O-CB 3.23Å; D385-S389 WeakPolarHBondContact O-CB 3.48Å; D385-S389 PolarHBondContact O-N 3.49Å; I387-S389 VanDerWaalsContact C-N 3.33Å; S389-A392 CarbonylContact O-C 3.06Å; S389-A392 PolarHBondContact O-N 2.86Å; S389-Q393 VanDerWaalsContact O-CB 3.28Å; S389-Q393 WeakPolarHBondContact O-CB 3.35Å; S389-Q393 WeakPolarHBondContact O-CG 3.35Å; S389-Q393 PolarHBondContact O-N 3Å; S389-Q393 PolarHBondContact OG-NE2 2.94Å; S389-Q393 VanDerWaalsContact OG-NE2 3.14Å
390H53Low48.3Very low82 Ų8269.8 Ų69.838%0.3836%0.363SS..Hα-helixtrans-78.7-30.8174.7-170.9-117.2000111.6W378 A386 S394W378-H390 AromaticContact CH2-ND1 3.67Å; A386-H390 WeakPolarHBondContact O-CA 3.29Å; A386-H390 WeakPolarHBondContact O-CB 3.31Å; A386-H390 PolarHBondContact O-N 2.91Å; H390-S394 WeakPolarHBondContact O-CA 3.24Å; H390-S394 WeakPolarHBondContact O-CB 3.41Å; H390-S394 PolarHBondContact O-N 3.4Å
391A46.8Very low48.3Very low25 Ų2569.4 Ų69.421%0.20737%0.368CS..Hα-helixtrans-62.8-43.7163.800000110.4I387 S394 M395I387-A391 WeakPolarHBondContact O-CB 3.43Å; I387-A391 PolarHBondContact O-N 3.02Å; A391-S394 CarbonylContact O-C 3.45Å; A391-S394 PolarHBondContact O-N 3.02Å; A391-M395 WeakPolarHBondContact O-CB 3.45Å; A391-M395 VanDerWaalsContact O-CG 3.26Å; A391-M395 WeakPolarHBondContact O-CG 3.34Å; A391-M395 PolarHBondContact O-N 3.11Å
392A47.7Very low48.1Very low9 Ų965.3 Ų65.37%0.07435%0.352CS..Hα-helixtrans-66.5-42.2176.400000113.1L388 S389 S394 M395 E396 S717L388-A392 WeakPolarHBondContact O-CB 3.3Å; L388-A392 PolarHBondContact O-N 2.95Å; S389-A392 CarbonylContact O-C 3.06Å; S389-A392 PolarHBondContact O-N 2.86Å; A392-S394 VanDerWaalsContact C-N 3.31Å; A392-S394 PolarHBondContact O-N 3.22Å; A392-M395 HydrophobicContact CB-CE 4.34Å; A392-M395 PolarHBondContact O-N 2.81Å; A392-E396 VanDerWaalsContact O-CB 3.23Å; A392-E396 WeakPolarHBondContact O-CB 3.45Å; A392-E396 PolarHBondContact O-N 3.38Å; A392-S717 VanDerWaalsContact CB-OG 3.3Å; A392-S717 WeakPolarHBondContact CB-OG 3.48Å
393Q52.7Low48.1Very low85 Ų8563.4 Ų63.440%0.39734%0.336SS..Hα-helixtrans-71.3-24.9173.7-71.3171.44300112.2S389 K397S389-Q393 VanDerWaalsContact O-CB 3.28Å; S389-Q393 WeakPolarHBondContact O-CB 3.35Å; S389-Q393 WeakPolarHBondContact O-CG 3.35Å; S389-Q393 PolarHBondContact O-N 3Å; S389-Q393 PolarHBondContact OG-NE2 2.94Å; S389-Q393 VanDerWaalsContact OG-NE2 3.14Å; Q393-K397 WeakPolarHBondContact O-CB 3.25Å; Q393-K397 WeakPolarHBondContact O-CD 3.34Å; Q393-K397 WeakPolarHBondContact O-CG 3.36Å; Q393-K397 PolarHBondContact O-N 3.27Å
394S53.9Low47.7Very low41 Ų4167.9 Ų67.929%0.28736%0.362SS..Hα-helixtrans-78-39171-178.80000111H390 A391 A392 K397 Q398H390-S394 WeakPolarHBondContact O-CA 3.24Å; H390-S394 WeakPolarHBondContact O-CB 3.41Å; H390-S394 PolarHBondContact O-N 3.4Å; A391-S394 CarbonylContact O-C 3.45Å; A391-S394 PolarHBondContact O-N 3.02Å; A392-S394 VanDerWaalsContact C-N 3.31Å; A392-S394 PolarHBondContact O-N 3.22Å; S394-K397 PolarHBondContact O-N 3.18Å; S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 WeakPolarHBondContact O-CG 3.23Å; S394-Q398 PolarHBondContact O-N 3.17Å
395M50.5Low46.8Very low14 Ų1464.7 Ų64.77%0.06935%0.347CS..Hα-helixtrans-62-46.7169.2-75.5-171.9-65.500110.4A391 A392 Q398 L399 L714 L718 Q796A391-M395 WeakPolarHBondContact O-CB 3.45Å; A391-M395 VanDerWaalsContact O-CG 3.26Å; A391-M395 WeakPolarHBondContact O-CG 3.34Å; A391-M395 PolarHBondContact O-N 3.11Å; A392-M395 HydrophobicContact CB-CE 4.34Å; A392-M395 PolarHBondContact O-N 2.81Å; M395-Q398 PolarHBondContact O-N 2.88Å; M395-L399 VanDerWaalsContact O-CB 3.29Å; M395-L399 WeakPolarHBondContact O-CB 3.15Å; M395-L399 VanDerWaalsContact O-CG 3.23Å; M395-L399 WeakPolarHBondContact O-CG 3.34Å; M395-L399 PolarHBondContact O-N 3.19Å; M395-L714 HydrophobicContact CB-CD1 4.31Å; M395-L718 HydrophobicContact CE-CB 4.31Å; M395-Q796 HydrophobicContact CG-CB 4.13Å; M395-Q796 HydrophobicContact CG-CG 3.8Å; M395-Q796 HydrophobicContact SD-CB 4.34Å
396E52.5Low46Very low111 Ų11162.5 Ų62.552%0.51934%0.337SS..Hα-helixtrans-63.8-47.1175.2-170.5166.6-130.700110.5A392 Q398 L399 D400A392-E396 VanDerWaalsContact O-CB 3.23Å; A392-E396 WeakPolarHBondContact O-CB 3.45Å; A392-E396 PolarHBondContact O-N 3.38Å; E396-Q398 VanDerWaalsContact C-N 3.35Å; E396-Q398 PolarHBondContact O-N 2.89Å; E396-L399 PolarHBondContact O-N 3.39Å; E396-D400 WeakPolarHBondContact O-CA 3.42Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 VanDerWaalsContact O-CG 3.3Å; E396-D400 PolarHBondContact O-N 2.86Å
397K53.8Low44.9Very low128 Ų12864.6 Ų64.656%0.55734%0.34SS*.Hα-helixtrans-66.5-27.3174.1-76.3169-176.4170.90114.2Q393 S394 S401Q393-K397 WeakPolarHBondContact O-CB 3.25Å; Q393-K397 WeakPolarHBondContact O-CD 3.34Å; Q393-K397 WeakPolarHBondContact O-CG 3.36Å; Q393-K397 PolarHBondContact O-N 3.27Å; S394-K397 PolarHBondContact O-N 3.18Å; K397-S401 WeakPolarHBondContact O-CB 3.48Å; K397-S401 PolarHBondContact O-N 3.26Å; K397-S401 PolarHBondContact O-OG 2.89Å
398Q44.7Very low44Very low111 Ų11166.2 Ų66.252%0.51935%0.349SS..Hα-helixtrans-78.8-43.3175.6-80.2-92.3-2800110.9S394 M395 E396 D400 S401 N402S394-Q398 WeakPolarHBondContact O-CB 3.4Å; S394-Q398 WeakPolarHBondContact O-CG 3.23Å; S394-Q398 PolarHBondContact O-N 3.17Å; M395-Q398 PolarHBondContact O-N 2.88Å; E396-Q398 VanDerWaalsContact C-N 3.35Å; E396-Q398 PolarHBondContact O-N 2.89Å; Q398-D400 VanDerWaalsContact C-N 3.33Å; Q398-S401 PolarHBondContact O-N 3.42Å; Q398-N402 PolarHBondContact O-N 3.4Å; Q398-N402 VanDerWaalsContact O-N 3.1Å; Q398-N402 PolarHBondContact O-ND2 2.67Å
399L45.4Very low42.9Very low42 Ų4265.9 Ų65.922%0.2235%0.349CS..Hα-helixtrans-63.9-41170.7-68.4170.1000110.4M395 E396 N402 R403 L714M395-L399 VanDerWaalsContact O-CB 3.29Å; M395-L399 WeakPolarHBondContact O-CB 3.15Å; M395-L399 VanDerWaalsContact O-CG 3.23Å; M395-L399 WeakPolarHBondContact O-CG 3.34Å; M395-L399 PolarHBondContact O-N 3.19Å; E396-L399 PolarHBondContact O-N 3.39Å; L399-N402 CarbonylContact O-C 3.56Å; L399-N402 VanDerWaalsContact O-C 3.24Å; L399-N402 VanDerWaalsContact O-CA 3.25Å; L399-N402 WeakPolarHBondContact O-CA 3.47Å; L399-N402 VanDerWaalsContact O-CB 3.27Å; L399-N402 WeakPolarHBondContact O-CB 3.41Å; L399-N402 PolarHBondContact O-N 2.85Å; L399-R403 WeakPolarHBondContact O-CB 3.32Å; L399-R403 PolarHBondContact O-N 3.21Å; L399-L714 HydrophobicContact CD1-CD1 3.83Å; L399-L714 HydrophobicContact CD1-CG 3.63Å
400D42.3Very low41.9Very low45 Ų4568.7 Ų68.724%0.24135%0.352CS..Hα-helixtrans-76.3-22.5177.1-73.3-2.1000113.6E396 Q398 N402 R403 N404E396-D400 WeakPolarHBondContact O-CA 3.42Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 VanDerWaalsContact O-CG 3.3Å; E396-D400 PolarHBondContact O-N 2.86Å; Q398-D400 VanDerWaalsContact C-N 3.33Å; D400-N402 VanDerWaalsContact C-N 3.26Å; D400-R403 HydrophobicContact CB-CB 4.46Å; D400-R403 PolarHBondContact O-N 3.09Å; D400-R403 VanDerWaalsContact O-N 3.13Å; D400-R403 WeakPolarHBondContact OD1-CD 3.26Å; D400-R403 IonicContact OD1-CZ 3.57Å; D400-R403 IonicContact OD1-NE 2.68Å; D400-R403 IonicContact OD1-NH1 3.9Å; D400-R403 PolarHBondContact OD1-NH1 2.98Å; D400-R403 IonicContact OD2-NH1 3.84Å; D400-N404 VanDerWaalsContact O-CB 3.3Å; D400-N404 WeakPolarHBondContact O-CB 3.39Å; D400-N404 VanDerWaalsContact O-CG 3.28Å; D400-N404 PolarHBondContact O-N 3.42Å; D400-N404 PolarHBondContact O-ND2 2.87Å
401S38.4Very low41.1Very low87 Ų8765.2 Ų65.261%0.60834%0.337SS*.Hα-helixtrans-66.8-32.7162.4-65.70000110.8K397 Q398K397-S401 WeakPolarHBondContact O-CB 3.48Å; K397-S401 PolarHBondContact O-N 3.26Å; K397-S401 PolarHBondContact O-OG 2.89Å; Q398-S401 PolarHBondContact O-N 3.42Å
402N38.1Very low40.5Very low103 Ų10367 Ų6755%0.55135%0.348SS*.THydrogen-bonded Turntrans-80.2-12.4168.8-67.9-67.8000113.6Q398 L399 D400 V406Q398-N402 PolarHBondContact O-N 3.4Å; Q398-N402 VanDerWaalsContact O-N 3.1Å; Q398-N402 PolarHBondContact O-ND2 2.67Å; L399-N402 CarbonylContact O-C 3.56Å; L399-N402 VanDerWaalsContact O-C 3.24Å; L399-N402 VanDerWaalsContact O-CA 3.25Å; L399-N402 WeakPolarHBondContact O-CA 3.47Å; L399-N402 VanDerWaalsContact O-CB 3.27Å; L399-N402 WeakPolarHBondContact O-CB 3.41Å; L399-N402 PolarHBondContact O-N 2.85Å; D400-N402 VanDerWaalsContact C-N 3.26Å; N402-V406 WeakPolarHBondContact O-CB 3.48Å; N402-V406 WeakPolarHBondContact O-CG2 3.4Å
403R37.6Very low40Very low92 Ų9267.3 Ų67.335%0.34735%0.349SS..THydrogen-bonded Turntrans-108-26.1-173.9-143.1179.9-169.5-177.23.2113.7L399 D400 G405 V406L399-R403 WeakPolarHBondContact O-CB 3.32Å; L399-R403 PolarHBondContact O-N 3.21Å; D400-R403 HydrophobicContact CB-CB 4.46Å; D400-R403 PolarHBondContact O-N 3.09Å; D400-R403 VanDerWaalsContact O-N 3.13Å; D400-R403 WeakPolarHBondContact OD1-CD 3.26Å; D400-R403 IonicContact OD1-CZ 3.57Å; D400-R403 IonicContact OD1-NE 2.68Å; D400-R403 IonicContact OD1-NH1 3.9Å; D400-R403 PolarHBondContact OD1-NH1 2.98Å; D400-R403 IonicContact OD2-NH1 3.84Å; R403-G405 PolarHBondContact O-N 3.37Å; R403-V406 VanDerWaalsContact C-N 3.31Å; R403-V406 CarbonylContact O-C 3.59Å; R403-V406 WeakPolarHBondContact O-CA 3.4Å; R403-V406 PolarHBondContact O-N 3.46Å; R403-V406 VanDerWaalsContact O-O 3.08Å
404N33.1Very low39.2Very low124 Ų12466 Ų6666%0.66334%0.342SS*.THydrogen-bonded Turntrans-64.9-20.1163.8-73.4-27.2000111.1D400D400-N404 VanDerWaalsContact O-CB 3.3Å; D400-N404 WeakPolarHBondContact O-CB 3.39Å; D400-N404 VanDerWaalsContact O-CG 3.28Å; D400-N404 PolarHBondContact O-N 3.42Å; D400-N404 PolarHBondContact O-ND2 2.87Å
405G34Very low38.4Very low8 Ų867 Ų678%0.08235%0.35CS..THydrogen-bonded Turntrans-90.1-10.4162.700000115.5F200 G201 R403F200-G405 VanDerWaalsContact CD2-O 3.24Å; F200-G405 WeakPolarHBondContact CD2-O 3.31Å; F200-G405 VanDerWaalsContact CE1-CA 3.42Å; F200-G405 VanDerWaalsContact CE2-O 3.24Å; F200-G405 WeakPolarHBondContact CE2-O 3.44Å; F200-G405 WeakPolarHBondContact CG-O 3.2Å; F200-G405 WeakPolarHBondContact CZ-O 3.39Å; G201-G405 WeakPolarHBondContact CA-O 3.38Å; G201-G405 PolarHBondContact N-O 3.08Å; R403-G405 PolarHBondContact O-N 3.37Å
406V33.2Very low37.8Very low44 Ų4471 Ų7127%0.26737%0.367SS..BIsolated β-bridgetrans-14491.4-171.9-172.40000111.7F200 N402 R403 I408F200-V406 HydrophobicContact CD2-CG2 4.43Å; F200-V406 HydrophobicContact CE2-CG2 3.72Å; F200-V406 HydrophobicContact CZ-CG2 4.31Å; N402-V406 WeakPolarHBondContact O-CB 3.48Å; N402-V406 WeakPolarHBondContact O-CG2 3.4Å; R403-V406 VanDerWaalsContact C-N 3.31Å; R403-V406 CarbonylContact O-C 3.59Å; R403-V406 WeakPolarHBondContact O-CA 3.4Å; R403-V406 PolarHBondContact O-N 3.46Å; R403-V406 VanDerWaalsContact O-O 3.08Å; V406-I408 HydrophobicContact CG1-CG1 3.73Å; V406-I408 PolarHBondContact O-N 2.93Å
407L29.9Very low37Very low93 Ų9369.1 Ų69.149%0.48736%0.36SS..  trans-65.2121.3144.1-114.4175.6000106.2T202 S409T202-L407 HydrophobicContact CG2-CB 3.85Å; T202-L407 HydrophobicContact CG2-CD1 4.09Å; T202-L407 HydrophobicContact CG2-CG 3.69Å; L407-S409 PolarHBondContact O-N 3.26Å
408I31.1Very low36.1Very low68 Ų6867.3 Ų67.335%0.34936%0.357SS..  trans-77.675.3-177.9-52.8178.9000109.7V406 I712V406-I408 HydrophobicContact CG1-CG1 3.73Å; V406-I408 PolarHBondContact O-N 2.93Å; I408-I712 HydrophobicContact CD1-CB 3.67Å; I408-I712 HydrophobicContact CD1-CD1 4.28Å; I408-I712 HydrophobicContact CD1-CG2 4.14Å
409S29Very low35.6Very low24 Ų2465.3 Ų65.317%0.16835%0.353CS..  trans-59.7132.2156-65.30000108.3L407 S411 S412L407-S409 PolarHBondContact O-N 3.26Å; S409-S411 WeakPolarHBondContact CB-OG 3.17Å; S409-S411 PolarHBondContact O-N 3.04Å; S409-S411 PolarHBondContact O-OG 3.07Å; S409-S412 PolarHBondContact O-N 3.18Å
410R33Very low34.9Very low106 Ų10670.3 Ų70.340%0.438%0.38SS..G310 helixtrans-52.2-24.2-176.8-78178147.9142.2-18.8113.8I180 S412 V413 S736I180-R410 HydrophobicContact CD1-CG 4.19Å; I180-R410 HydrophobicContact CG2-CB 3.81Å; I180-R410 HydrophobicContact CG2-CG 4.07Å; R410-S412 VanDerWaalsContact C-N 3.28Å; R410-S412 PolarHBondContact O-N 2.95Å; R410-V413 PolarHBondContact O-N 2.89Å; R410-S736 PolarHBondContact NH2-O 2.89Å
411S35.2Very low34.4Very low9 Ų976.3 Ų76.36%0.06340%0.399CS..G310 helixtrans-50-35.7175.854.40000116.2I120 C183 S409 V413 H414I120-S411 WeakPolarHBondContact O-CA 2.9Å; I120-S411 WeakPolarHBondContact O-CB 2.99Å; C183-S411 VanDerWaalsContact CB-OG 3.32Å; C183-S411 WeakPolarHBondContact CB-OG 3.41Å; C183-S411 PolarHBondContact SG-OG 3.03Å; S409-S411 WeakPolarHBondContact CB-OG 3.17Å; S409-S411 PolarHBondContact O-N 3.04Å; S409-S411 PolarHBondContact O-OG 3.07Å; S411-V413 PolarHBondContact O-N 2.99Å; S411-H414 PolarHBondContact O-N 3.41Å
412S34.5Very low34Very low62 Ų6277.4 Ų77.443%0.43440%0.397SS..G310 helixtrans-67.9-22.4-174.6-164.60000112.9S409 R410 H414 S415S409-S412 PolarHBondContact O-N 3.18Å; R410-S412 VanDerWaalsContact C-N 3.28Å; R410-S412 PolarHBondContact O-N 2.95Å; S412-H414 VanDerWaalsContact C-N 3.28Å; S412-H414 PolarHBondContact O-N 3.05Å; S412-S415 PolarHBondContact O-N 2.9Å
413V36.8Very low33.7Very low17 Ų1777.2 Ų77.210%0.10340%0.402CS..G310 helixtrans-70.9-25.3-178.4-166.50000111.8R410 S411 S415 F416 T733R410-V413 PolarHBondContact O-N 2.89Å; S411-V413 PolarHBondContact O-N 2.99Å; V413-S415 PolarHBondContact O-N 2.88Å; V413-F416 PolarHBondContact O-N 2.81Å; V413-T733 HydrophobicContact CG2-CG2 3.99Å
414H37.1Very low33.3Very low56 Ų5676.8 Ų76.826%0.25942%0.418SS..G310 helixtrans-65.6-3.2178.6-67.4-24.1000114.7K283 S411 S412K283-H414 WeakPolarHBondContact CE-O 3.46Å; K283-H414 PolarHBondContact NZ-O 3.06Å; S411-H414 PolarHBondContact O-N 3.41Å; S412-H414 VanDerWaalsContact C-N 3.28Å; S412-H414 PolarHBondContact O-N 3.05Å
415S37.2Very low33Very low63 Ų6376 Ų7644%0.44142%0.422SS..G310 helixtrans-93.5-7172.2-153.60000115.1S412 V413S412-S415 PolarHBondContact O-N 2.9Å; V413-S415 PolarHBondContact O-N 2.88Å
416F36.3Very low32.8Very low99 Ų9982.3 Ų82.343%0.43446%0.459SS..SBendtrans-96.1-6.8-175.5-73.6-93000114.6V413 D418 R708 L710V413-F416 PolarHBondContact O-N 2.81Å; F416-D418 VanDerWaalsContact C-N 3.25Å; F416-D418 PolarHBondContact O-N 2.68Å; F416-R708 PolarHBondContact O-NH2 3.48Å; F416-L710 HydrophobicContact CE1-CD1 4.25Å; F416-L710 HydrophobicContact CE1-CD2 4.15Å; F416-L710 HydrophobicContact CE2-CD2 4.06Å; F416-L710 HydrophobicContact CZ-CD2 3.79Å
417N35.9Very low32.6Very low70 Ų7086.6 Ų86.637%0.37449%0.485SS..  trans-84.813.9178.3-76.8-17.4000114.6P419 R708N417-P419 WeakPolarHBondContact O-CD 3.31Å; N417-R708 PolarHBondContact OD1-NH1 3Å
418D35.8Very low32.8Very low90 Ų9087.7 Ų87.748%0.48150%0.5SS..  trans-82.3119.4178.6-161.4-44.7000111.3F416 L420F416-D418 VanDerWaalsContact C-N 3.25Å; F416-D418 PolarHBondContact O-N 2.68Å; D418-L420 VanDerWaalsContact C-N 3.25Å; D418-L420 PolarHBondContact O-N 3.07Å; D418-L420 PolarHBondContact OD1-N 3.48Å
419P33.8Very low32.6Very low69 Ų6992.1 Ų92.145%0.44853%0.525SS..THydrogen-bonded Turntrans-72.5-7.9-176-18.632.8000115.7N417N417-P419 WeakPolarHBondContact O-CD 3.31Å
420L31.1Very low32.7Very low148 Ų148100.2 Ų100.278%0.77556%0.56SS**THydrogen-bonded Turntrans-104.86-165-62.3177.6000115.1D418 L422D418-L420 VanDerWaalsContact C-N 3.25Å; D418-L420 PolarHBondContact O-N 3.07Å; D418-L420 PolarHBondContact OD1-N 3.48Å; L420-L422 PolarHBondContact O-N 2.92Å
421R30.5Very low32.6Very low171 Ų17198.6 Ų98.665%0.64558%0.577SS**  trans-88.783.9-176.6-163.5178.1-166.7162.69113
422L31.5Very low32.4Very low110 Ų110106.5 Ų106.558%0.57661%0.612SS**PPolyproline II helixtrans-74.6139.7174.3-62.7175.5000112.7L420 Q859L420-L422 PolarHBondContact O-N 2.92Å; L422-Q859 HydrophobicContact CD2-CG 3.62Å
423P31.8Very low32Very low98 Ų98113.9 Ų113.964%0.63663%0.631SS**PPolyproline II helixtrans-65.4158.5160.3-18.232.2000111.9
424A29Very low31.7Very low83 Ų83119.9 Ų119.969%0.68666%0.661SS**PPolyproline II helixtrans-90.2129.1-178.400000112.8
425S26.8Very low31.3Very low108 Ų108121.6 Ų121.676%0.75568%0.68SS**  trans47.8101.7154.859.30000119.4
426V30.3Very low30.9Very low140 Ų140125.1 Ų125.185%0.84869%0.694SS**  trans-131.5118.3135-177.80000108
427T28.6Very low30.5Very low135 Ų135129 Ų12983%0.82871%0.713SS**  trans-130.1118.7167.747.80000107.4
428S33.4Very low30.2Very low115 Ų115130 Ų13080%0.80473%0.725SS**  trans-68.3153.3-175-48.30000113.1
429D27.7Very low29.8Very low162 Ų162134.9 Ų134.987%0.86674%0.742SS**  trans-57.3153.2166.7-86.7-54.2000113.1
430E31.1Very low29.7Very low194 Ų194141.5 Ų141.591%0.90777%0.765SS**  trans-172.6127.6140.9-96.4-78.5127.600106.9
431G30.3Very low29.4Very low72 Ų72142.2 Ų142.274%0.74277%0.769SS**  trans118.895.6163.500000120
432E30.5Very low29.3Very low174 Ų174139.4 Ų139.481%0.81377%0.774SS**  trans62.194.3139.1-52.9-143.1103.300124
433R26.3Very low29.2Very low217 Ų217140.9 Ų140.982%0.81978%0.782SS**  60.5135.5107.8-124.7179.7-175.2165.20.5122.6
434L31.2Very low29.2Very low143 Ų143143.1 Ų143.175%0.74978%0.784SS**  trans100.381.9151.6-57.5179.6000121.3
435S27.7Very low29.3Very low92 Ų92145.9 Ų145.964%0.64378%0.783SS**  73.6132.7114.567.20000124.1
436N28.3Very low29.6Very low138 Ų138145.9 Ų145.974%0.73878%0.778SS**  trans78.6112.2147.4-61.65.6000117.9
437E28Very low29.6Very low179 Ų179146.2 Ų146.284%0.83677%0.771SS**  81.4142.590.7-76.5-152.6120.700114.8
438S30.1Very low29.7Very low91 Ų91150.5 Ų150.564%0.63677%0.771SS**  cis-160.2168.3-9.458.50000112.4
439K27.9Very low29.5Very low193 Ų193150.6 Ų150.684%0.83977%0.767SS**  trans10.3136.3158.3-61.3168.3-178.6166.30120.5
440F30.5Very low29.7Very low208 Ų208150 Ų15091%0.91277%0.769SS**  -152.3153.3128.7-112.9-74.4000112.5
441N26Very low29.6Very low163 Ų163147.1 Ų147.187%0.87276%0.76SS**  trans-152.5140.8-178-115.5-15.8000110.4
442C27.8Very low29.6Very low112 Ų112152.5 Ų152.576%0.75777%0.765SS**  trans-160.8116.3171.6-137.50000108.2
443L30.7Very low29.7Very low141 Ų141148 Ų14874%0.73877%0.766SS**  58.9138.482.6-54.1173000113.5
444Q31.7Very low29.9Very low145 Ų145146 Ų14668%0.67877%0.765SS**  cis-160.4146.9-1.5-112.8170.1-22.600109.3
445Q29.3Very low30Very low142 Ų142147.1 Ų147.166%0.66477%0.773SS**  67.4133.9105.1-135.6174.2-8.100115.9
446T32.9Very low30.1Very low107 Ų107149.6 Ų149.666%0.65678%0.778SS**  -176.4150.367.843.70000113.8
447H32.3Very low30.4Very low148 Ų148149.7 Ų149.769%0.68578%0.784SS**  trans46.2159.4141.9-66.1-54.2000123.5
448R30.5Very low30.3Very low224 Ų224146.3 Ų146.385%0.84578%0.78SS**  cis-156.1168.9-1.6-131.8167.2-177.1154.8-0.2113.9
449V27.9Very low30.6Very low117 Ų117150 Ų15071%0.70979%0.792SS**  trans-64.1149.1179.1176.70000116.6
450V31.9Very low30.8Very low150 Ų150147.9 Ų147.991%0.90979%0.79SS**  trans-144.4164.5139.8-178.40000108
451D29.7Very low31.1Very low133 Ų133143.6 Ų143.671%0.71179%0.785SS**  trans-139.5175.1-152.7-144.6-22.5000115.4
452E30.6Very low31.5Very low185 Ų185143 Ų14386%0.86478%0.782SS**  trans64.3151.4163.5-62-167.5164.100122.2
453G32.5Very low31.9Very low79 Ų79145.4 Ų145.481%0.81479%0.788SS**  trans147.660.4162.800000118.8
454E29.7Very low32.2Very low175 Ų175143 Ų14382%0.81878%0.78SS**  trans-77.4155169.4-65.5-168.9155.800113.1
455N34.2Very low32.4Very low168 Ų168146.2 Ų146.290%0.89879%0.792SS**  trans-165.6133151.7-104.5-68.3000111.2
456N28.6Very low32.8Very low143 Ų143145.4 Ų145.477%0.76579%0.792SS**  trans-101.8142179.1-69.2-59.6000111.7
457V34.4Very low32.9Very low141 Ų141146.6 Ų146.686%0.85579%0.79SS**  trans-141.4124.5158.9-178.90000109.1
458S27.3Very low33.1Very low107 Ų107147.6 Ų147.675%0.74880%0.8SS**  trans-106.5146.5172.1-53.50000110
459L35Very low33.2Very low169 Ų169143 Ų14389%0.88579%0.789SS**  trans-147.7137.1159.7-85.9-178.4000110.1
460D32.3Very low33.4Very low149 Ų149144.7 Ų144.780%0.79780%0.799SS**  trans-84.2162179-49.4-71.5000112.8
461S38Very low33.5Very low118 Ų118144 Ų14483%0.82579%0.79SS**  -173.2129.8127.851.50000111.1
462D34.3Very low34Very low151 Ų151142 Ų14281%0.80778%0.784SS**  trans-77.8161.5179.5-44.3-100.7000113.8
463D35.1Very low34.1Very low162 Ų162140 Ų14087%0.86678%0.78SS**  trans-156.4121.2136.9-138.6-10.2000110.5
464P36.9Very low34.1Very low90 Ų90143.5 Ų143.558%0.58478%0.778SS**  trans-103.8159.1-174.838.1-33.8000113.7
465F37.6Very low34.1Very low213 Ų213143 Ų14393%0.93478%0.78SS**  trans-133.9122157.6-111.4-87.7000112.7
466L37.1Very low33.7Very low125 Ų125138.8 Ų138.865%0.65477%0.768SS**  trans-74.9167.4170.8-56.3106.7000109.5
467E35Very low33.7Very low131 Ų131137.9 Ų137.961%0.61277%0.773SS**  cis-164.7155.3-3.1-126.6163.8154.700107.6Q469E467-Q469 HydrophobicContact CG-CG 4.42Å; E467-Q469 PolarHBondContact OE1-NE2 3.35Å
468D35.6Very low33.5Very low169 Ų169135.6 Ų135.690%0.90477%0.77SS**  -161137.1124.9-141.1-16.3000110.2
469Q33.1Very low33.6Very low128 Ų128139 Ų13960%0.59878%0.778SS**  trans-107133.9-164.7-58.1177.911.800113E467E467-Q469 HydrophobicContact CG-CG 4.42Å; E467-Q469 PolarHBondContact OE1-NE2 3.35Å
470V33.1Very low33.4Very low153 Ų153135.1 Ų135.193%0.92777%0.771SS**  trans-138.2100.9145.8-176.40000107.3
471D32.8Very low33.3Very low135 Ų135137.1 Ų137.172%0.72278%0.775SS**  trans-104.1-165-166.1-14924.6000111.5
472P40.8Very low33.3Very low90 Ų90139.4 Ų139.458%0.58478%0.777SS**  -124-164.2-115.340.7-21.7000112.8
473D32.4Very low33.1Very low145 Ų145139.1 Ų139.178%0.77578%0.775SS**  167.9167116.4-105.6-37.6000113.3
474I33.8Very low32.9Very low151 Ų151139.1 Ų139.177%0.77477%0.77SS**  trans66.3111.5168-39.1-166.9000114.4
475L28.7Very low32.6Very low164 Ų164144 Ų14486%0.85979%0.785SS**  cis-158.415120.6-134.7163.9000110.2
476A25.9Very low32.2Very low80 Ų80141.8 Ų141.866%0.66178%0.778SS**  trans-137.1156.7173.300000113.2
477S27.8Very low32Very low124 Ų124141 Ų14187%0.86778%0.78SS**  trans59.2103.1156-58.10000121
478A30Very low31.6Very low94 Ų94141.6 Ų141.678%0.77778%0.784SS**  trans-161.9145.3149.400000108.7
479L30.1Very low31.4Very low177 Ų177140.5 Ų140.593%0.92778%0.778SS**  cis-152.9176.2-11.7-108.8170.1000107.4
480A31.6Very low31.1Very low89 Ų89138.9 Ų138.974%0.73678%0.782SS**  trans-120.1176.4-17200000114.7
481E30.1Very low30.9Very low190 Ų190137.2 Ų137.289%0.88877%0.772SS**  trans87.8167.6149.6-147152.7-12700119.4
482I36.4Very low30.7Very low167 Ų167136.9 Ų136.986%0.85677%0.77SS**  trans78.5127.5-173.8-52.6174.7000114.7
483D31.6Very low30.1Very low145 Ų145141.5 Ų141.578%0.77578%0.781SS**  cis-162.7171.9-20.1-167.914.7000109.5
484E29.8Very low29.9Very low162 Ų162140.2 Ų140.276%0.75778%0.781SS**  trans-77.1148.5-176.4-59.5-168.3125.900115.8
485Q32Very low29.5Very low191 Ų191142.9 Ų142.989%0.89379%0.787SS**  -170.3138.4123.7-106.1151.484.400115.1
486Q27.8Very low29.5Very low168 Ų168141.7 Ų141.779%0.78579%0.787SS**  trans-102.2170.9166.3-108.4-164.550.800109.3
487P33.5Very low29.7Very low107 Ų107145.7 Ų145.770%0.69580%0.797SS**  cis-153.4168.841.542.7-20.9000120.2
488M27.4Very low29.8Very low144 Ų144148.5 Ų148.571%0.70980%0.796SS**  trans44.4112.5139.7-61.9-81.9-85.200121.5
489N30.8Very low29.8Very low146 Ų146152.1 Ų152.178%0.78180%0.802SS**  -176.5157.7101.3-95.8-46.6000115.8
490S26.1Very low29.7Very low95 Ų95153.1 Ų153.166%0.66480%0.798SS**  trans-60.6152.7-179.455.30000115.7
491T30.2Very low29.6Very low117 Ų117151.9 Ų151.972%0.71880%0.795SS**  -168.4128.674.136.70000117.1
492N27.9Very low29.8Very low129 Ų129149.8 Ų149.869%0.6979%0.79SS**  trans49147.6135.3-60.1-18.9000126.1
493F27.2Very low29.5Very low187 Ų187149.1 Ų149.182%0.8278%0.783SS**  trans85.5149161.7-60.2-66.3000118.1
494P28.8Very low29.5Very low117 Ų117149 Ų14976%0.7678%0.779SS**  -130.4164.5-70.930.6-11.5000114.5
495K25.4Very low29.5Very low207 Ų207149.2 Ų149.290%0.977%0.773SS**PPolyproline II helixtrans-75.6135.7-177.5-63.2178.9178.1-179.80113.4
496T30Very low29.5Very low140 Ų140145 Ų14586%0.85976%0.755SS**PPolyproline II helixtrans-93.9166.5161330000111.7
497N29.2Very low29.6Very low163 Ų163145 Ų14587%0.87275%0.753SS**PPolyproline II helixtrans-82.1134.1-161.6-66-50.7000114.8
498Q29.7Very low29.4Very low184 Ų184148.1 Ų148.186%0.8676%0.759SS**PPolyproline II helixtrans-71.1134161-81-76.920.600110.8
499L29.3Very low29.5Very low170 Ų170146.7 Ų146.789%0.8976%0.763SS**PPolyproline II helixtrans-80.5129.5171.6-95.8160.2000110.3G501L499-G501 PolarHBondContact O-N 2.71Å
500K29.2Very low29.4Very low197 Ų197147.2 Ų147.286%0.85777%0.766SS**  trans-85.7114.3-172-150175.4-172.3-1790110.3
501G29.4Very low29.6Very low64 Ų64152.4 Ų152.466%0.6678%0.776SS**  trans-69141.1172.100000111.9L499 E503L499-G501 PolarHBondContact O-N 2.71Å; G501-E503 PolarHBondContact O-N 3.05Å
502N34.2Very low29.5Very low146 Ų146155.6 Ų155.678%0.78178%0.78SS**  trans-80.879.4-178.8-73.9-15.3000111.8M504N502-M504 PolarHBondContact O-N 3.38Å
503E30.1Very low29.4Very low152 Ų152154.8 Ų154.871%0.7178%0.78SS**  trans-69.6107.6163.7-69.1-170.9169.600110.4G501 R505G501-E503 PolarHBondContact O-N 3.05Å; E503-R505 IonicContact OE2-NE 2.75Å; E503-R505 IonicContact OE2-NH2 3.93Å; E503-R505 PolarHBondContact OE2-NH2 3.16Å
504M31.1Very low29.5Very low142 Ų142154 Ų15470%0.778%0.776SS**  trans-97.687.1166.6-168.1165.87600110.3N502 I506N502-M504 PolarHBondContact O-N 3.38Å; M504-I506 PolarHBondContact O-N 2.99Å
505R30Very low29.3Very low167 Ų167156.9 Ų156.963%0.6378%0.78SS**  trans-62.5125.1167-62.6-178.4-157.9178.24.8108.8E503 F507E503-R505 IonicContact OE2-NE 2.75Å; E503-R505 IonicContact OE2-NH2 3.93Å; E503-R505 PolarHBondContact OE2-NH2 3.16Å; R505-F507 HydrophobicContact CB-CD2 4.28Å; R505-F507 HydrophobicContact CB-CE2 4.19Å; R505-F507 WeakPolarHBondContact O-CD2 3.46Å; R505-F507 PolarHBondContact O-N 3.03Å; R505-F507 VanDerWaalsContact O-N 3.08Å
506I32.6Very low29.6Very low102 Ų102153.2 Ų153.252%0.52377%0.774SS.*  trans-71.7103.3167.7-61.3176.9000106.5M504M504-I506 PolarHBondContact O-N 2.99Å
507F28.7Very low29.3Very low168 Ų168153.2 Ų153.274%0.73777%0.774SS**  trans-75.1131.7-171.3-94.2-89.9000112.4R505 S509R505-F507 HydrophobicContact CB-CD2 4.28Å; R505-F507 HydrophobicContact CB-CE2 4.19Å; R505-F507 WeakPolarHBondContact O-CD2 3.46Å; R505-F507 PolarHBondContact O-N 3.03Å; R505-F507 VanDerWaalsContact O-N 3.08Å; F507-S509 PolarHBondContact O-N 2.93Å
508Q29.5Very low29.4Very low174 Ų174149.6 Ų149.681%0.81377%0.767SS**  trans-55.9121.5152.5-67.8177.5-8.400108.7N510Q508-N510 PolarHBondContact O-N 2.8Å
509S29.9Very low29.5Very low113 Ų113147 Ų14779%0.7976%0.764SS**  trans-85.695.6-174.346.70000111.7F507 K511F507-S509 PolarHBondContact O-N 2.93Å; S509-K511 PolarHBondContact O-N 3.42Å
510N28.7Very low29.5Very low158 Ų158143.8 Ų143.885%0.84576%0.756SS**  trans-60.898.5174.7-87.4-40.5000112Q508 K512Q508-N510 PolarHBondContact O-N 2.8Å; N510-K512 PolarHBondContact O-N 2.99Å
511K30.1Very low29.8Very low204 Ų204139.4 Ų139.489%0.88775%0.75SS**  trans-66.7100.1165.4-88.4-175.6174.8175.50109.9S509S509-K511 PolarHBondContact O-N 3.42Å
512K29.1Very low29.9Very low183 Ų183142 Ų14280%0.79675%0.753SS**  trans-92.898.9167.8-153.7173.5-169.7179.90109.7N510 F514N510-K512 PolarHBondContact O-N 2.99Å; K512-F514 HydrophobicContact CG-CD2 4.48Å
513V25.6Very low29.6Very low113 Ų113142.6 Ų142.669%0.68576%0.756SS**  trans-71.4136.7171.7177.80000109
514F29.7Very low29.8Very low170 Ų170140.1 Ų140.175%0.74676%0.755SS**  trans-143.8108.2164.1-108.6-83.8000109.3K512K512-F514 HydrophobicContact CG-CD2 4.48Å
515E24.5Very low30.1Very low178 Ų178137.7 Ų137.783%0.83275%0.752SS**  trans-90130.6162.5-62.8-179.6120.100108.5
516T30.1Very low30.2Very low129 Ų129135.5 Ų135.579%0.79176%0.758SS**  trans-147.9129.3158.5-45.50000110.1
517T25.2Very low30.3Very low140 Ų140137.8 Ų137.886%0.85977%0.77SS**  trans-101.1127.6-176.919.40000112.8
518A31.6Very low30.4Very low88 Ų88137.3 Ų137.373%0.72777%0.772SS**  trans-169.7100.7158.900000109.3
519T30.4Very low30.5Very low128 Ų128134.3 Ų134.379%0.78577%0.766SS**  66.31078561.90000117.2
520S30.6Very low30.6Very low103 Ų103138.3 Ų138.372%0.7277%0.769SS**  trans68.1113.1142.860.50000123.2
521S34.5Very low30.7Very low106 Ų106136.2 Ų136.274%0.74177%0.767SS**  82.7148.8123.883.50000119
522T31.1Very low30.5Very low117 Ų117132.5 Ų132.572%0.71877%0.765SS**  cis-159.8155.8-6.2-6.30000111.8
523L29.8Very low30.4Very low159 Ų159128.6 Ų128.683%0.83277%0.767SS**  trans67.2149.5160.9-61.1172.3000115.8
524S33.1Very low30.4Very low101 Ų101131.3 Ų131.371%0.70678%0.777SS**  cis-164.9174.38.5-113.50000108.8
525S37.3Very low30.3Very low91 Ų91128.5 Ų128.564%0.63678%0.778SS**  cis-175136.5-10.348.10000111.9
526T32.2Very low30.6Very low121 Ų121129.2 Ų129.274%0.74278%0.778SS**  trans64.4139.1153.5-11.20000117.7
527L34.5Very low30.5Very low150 Ų150129.2 Ų129.279%0.78578%0.781SS**  cis-145.6133.535.4-79.3153.4000110.5
528M31.2Very low30.6Very low157 Ų157128.5 Ų128.577%0.77378%0.776SS**  59.4127.892.3-69.7-79.5-173.200114.3
529T31.9Very low30.6Very low112 Ų112132 Ų13269%0.68778%0.775SS**  cis-150.3147.821.853.40000115.5
530K30.9Very low30.7Very low197 Ų197130 Ų13086%0.85777%0.766SS**  trans45.9140.9138.5-59176.9-176.8178.40120.2
531S31.8Very low30.8Very low114 Ų114132.7 Ų132.780%0.79777%0.768SS**  cis-153.6168.517.853.70000114.7
532C24.9Very low30.7Very low126 Ų126133 Ų13385%0.85176%0.76SS**  trans-25.1155.8170-47.80000118.4
533A28.2Very low30.7Very low101 Ų101132.9 Ų132.984%0.83575%0.751SS**  cis-155.8173.633.700000115.9
534L24.2Very low31Very low169 Ų169128.3 Ų128.389%0.88573%0.733SS**  trans-81.3140.4-173.3-179.468.9000113.9
535S29.1Very low31.1Very low111 Ų111130.8 Ų130.878%0.77673%0.73SS**  trans-138.8167.2166.567.70000112.3
536K31Very low31.2Very low193 Ų193132.5 Ų132.584%0.83973%0.728SS**PPolyproline II helixtrans-101.3159.4-160.4-66.3177.1-178.8178.20113
537P26.6Very low31.6Very low130 Ų130129.4 Ų129.484%0.84471%0.712SS**PPolyproline II helixtrans-58.3148171.125.3-35.2000112.4
538T28.2Very low32.1Very low124 Ų124124.2 Ų124.276%0.76169%0.685SS**PPolyproline II helixtrans-86.2159.9-167.525.60000114.5S540T538-S540 VanDerWaalsContact C-N 3.27Å; T538-S540 PolarHBondContact O-N 3.27Å; T538-S540 VanDerWaalsContact O-N 3.09Å
539K31.7Very low32.9Very low162 Ų162122.5 Ų122.570%0.70467%0.673SS**THydrogen-bonded Turntrans-60.4-17.2-168.6-80.5-174.6167.1-169.50117.4Q541 I542K539-Q541 VanDerWaalsContact C-N 3.26Å; K539-Q541 PolarHBondContact O-N 3.44Å; K539-I542 PolarHBondContact O-N 3.43Å; K539-I542 VanDerWaalsContact O-N 3.16Å
540S31.9Very low33.7Very low86 Ų86123.7 Ų123.760%0.60167%0.671SS**Hα-helixtrans-66.7-12-159.950.10000116.8T538T538-S540 VanDerWaalsContact C-N 3.27Å; T538-S540 PolarHBondContact O-N 3.27Å; T538-S540 VanDerWaalsContact O-N 3.09Å
541Q31.9Very low34.4Very low160 Ų160115.4 Ų115.475%0.74864%0.636SS**Hα-helixtrans-87.6-4.4175.5-76.5-158.2-9.600115.2K539K539-Q541 VanDerWaalsContact C-N 3.26Å; K539-Q541 PolarHBondContact O-N 3.44Å
542I33.7Very low35.3Very low112 Ų112111.1 Ų111.157%0.57460%0.604SS**Hα-helixtrans-96.5-42.8-179-61.8176.6000111K539 S544 K545 Q546K539-I542 PolarHBondContact O-N 3.43Å; K539-I542 VanDerWaalsContact O-N 3.16Å; I542-S544 PolarHBondContact O-N 2.89Å; I542-K545 PolarHBondContact O-N 3.43Å; I542-Q546 PolarHBondContact O-N 2.91Å
543E31.4Very low36.7Very low114 Ų114110.2 Ų110.253%0.53359%0.591SS.*Hα-helixtrans-63.8-37.1-175.4-70.6158.4172.500112.2K545 Q546 S547E543-K545 VanDerWaalsContact C-N 3.32Å; E543-K545 PolarHBondContact O-N 2.83Å; E543-Q546 PolarHBondContact O-N 3.4Å; E543-S547 PolarHBondContact O-N 3.49Å
544S34.6Very low37.7Very low64 Ų64110.8 Ų110.845%0.44858%0.577SS.*Hα-helixtrans-62.8-34.3175.856.70000113.6I542 L548I542-S544 PolarHBondContact O-N 2.89Å; S544-L548 WeakPolarHBondContact O-CG 3.48Å; S544-L548 PolarHBondContact O-N 2.86Å; S544-L548 VanDerWaalsContact O-N 3.12Å
545K36.2Very low38.8Very low152 Ų152104.2 Ų104.266%0.66154%0.543SS*.Hα-helixtrans-74.3-27.5177.2-66.2-170.2176.7-171.30112.9I542 E543 K549I542-K545 PolarHBondContact O-N 3.43Å; E543-K545 VanDerWaalsContact C-N 3.32Å; E543-K545 PolarHBondContact O-N 2.83Å; K545-K549 PolarHBondContact O-N 3.26Å
546Q38.9Very low39.7Very low127 Ų127101.6 Ų101.659%0.59352%0.518SS*.Hα-helixtrans-79.5-43.7175.3-67.1-174-55.100111.3I542 E543 K549 Q550I542-Q546 PolarHBondContact O-N 2.91Å; E543-Q546 PolarHBondContact O-N 3.4Å; Q546-K549 PolarHBondContact O-N 3.43Å; Q546-Q550 PolarHBondContact O-N 2.9Å
547S39.7Very low40.2Very low56 Ų5696.3 Ų96.339%0.39251%0.506SS..Hα-helixtrans-54-54.7173170.20000111.8E543 K549 Q550 T551E543-S547 PolarHBondContact O-N 3.49Å; S547-K549 VanDerWaalsContact C-N 3.3Å; S547-K549 PolarHBondContact O-N 2.88Å; S547-Q550 WeakPolarHBondContact O-CA 3.49Å; S547-Q550 WeakPolarHBondContact O-CB 3.38Å; S547-Q550 PolarHBondContact O-N 2.91Å; S547-T551 PolarHBondContact O-N 2.84Å; S547-T551 PolarHBondContact O-OG1 3.12Å
548L46.1Very low41Very low42 Ų4295.1 Ų95.122%0.2249%0.485CS..Hα-helixtrans-59.8-36.3179.5-74169.7000113.3S544 Q550 L552S544-L548 WeakPolarHBondContact O-CG 3.48Å; S544-L548 PolarHBondContact O-N 2.86Å; S544-L548 VanDerWaalsContact O-N 3.12Å; L548-Q550 VanDerWaalsContact C-N 3.35Å; L548-L552 WeakPolarHBondContact O-CG 3.46Å; L548-L552 PolarHBondContact O-N 3.07Å; L548-L552 VanDerWaalsContact O-N 3.11Å
549K46.9Very low41.4Very low120 Ų12093.2 Ų93.252%0.52248%0.476SS..Hα-helixtrans-66.6-34.8173.5-82-152.3172.7-1340112.2E43 K545 Q546 S547 L553E43-K549 IonicContact OE2-NZ 3.85Å; K545-K549 PolarHBondContact O-N 3.26Å; Q546-K549 PolarHBondContact O-N 3.43Å; S547-K549 VanDerWaalsContact C-N 3.3Å; S547-K549 PolarHBondContact O-N 2.88Å; K549-L553 VanDerWaalsContact O-CB 3.31Å; K549-L553 WeakPolarHBondContact O-CB 3.42Å; K549-L553 WeakPolarHBondContact O-CD1 3.34Å; K549-L553 PolarHBondContact O-N 2.98Å
550Q49.1Very low41.6Very low137 Ų13796.1 Ų96.164%0.6448%0.483SS*.Hα-helixtrans-68-43.6175-71.8-176.6-6400112.2Q546 S547 L548 L552 L553 M554Q546-Q550 PolarHBondContact O-N 2.9Å; S547-Q550 WeakPolarHBondContact O-CA 3.49Å; S547-Q550 WeakPolarHBondContact O-CB 3.38Å; S547-Q550 PolarHBondContact O-N 2.91Å; L548-Q550 VanDerWaalsContact C-N 3.35Å; Q550-L552 VanDerWaalsContact C-N 3.34Å; Q550-L552 PolarHBondContact O-N 3.3Å; Q550-L553 PolarHBondContact O-N 3.43Å; Q550-M554 WeakPolarHBondContact O-CG 3.49Å; Q550-M554 PolarHBondContact O-N 3.23Å
551T46.1Very low41.7Very low23 Ų2399.5 Ų99.514%0.14149%0.493CS..Hα-helixtrans-59.4-44.3175.5-45.40000111.6Q74 S547 M554 L555Q74-T551 PolarHBondContact OE1-OG1 3.15Å; S547-T551 PolarHBondContact O-N 2.84Å; S547-T551 PolarHBondContact O-OG1 3.12Å; T551-M554 PolarHBondContact O-N 3.47Å; T551-L555 PolarHBondContact O-N 3.17Å
552L51.6Low41.6Very low24 Ų2497.9 Ų97.913%0.12649%0.494CS..Hα-helixtrans-68.6-35.7177.3-73.1161.7000112.8W40 L548 Q550 M554 L555 Q556W40-L552 HydrophobicContact CB-CD1 4.05Å; W40-L552 HydrophobicContact CD2-CB 4.46Å; W40-L552 HydrophobicContact CD2-CD2 3.76Å; W40-L552 HydrophobicContact CE3-CD2 3.91Å; W40-L552 HydrophobicContact CG-CB 4.25Å; W40-L552 HydrophobicContact CG-CD1 4.09Å; W40-L552 HydrophobicContact CG-CD2 4.08Å; W40-L552 HydrophobicContact CG-CG 4.37Å; W40-L552 HydrophobicContact CZ3-CD2 4.39Å; L548-L552 WeakPolarHBondContact O-CG 3.46Å; L548-L552 PolarHBondContact O-N 3.07Å; L548-L552 VanDerWaalsContact O-N 3.11Å; Q550-L552 VanDerWaalsContact C-N 3.34Å; Q550-L552 PolarHBondContact O-N 3.3Å; L552-M554 VanDerWaalsContact C-N 3.35Å; L552-L555 HydrophobicContact CD2-CD1 4.39Å; L552-L555 PolarHBondContact O-N 3.09Å; L552-Q556 WeakPolarHBondContact O-CG 3.34Å; L552-Q556 PolarHBondContact O-N 3.26Å; L552-Q556 VanDerWaalsContact O-N 3.11Å
553L53.1Low41.4Very low108 Ų108100.3 Ų100.357%0.56551%0.508SS*.Hα-helixtrans-65.9-32.6172.3-95.5151.5000113.3K549 Q550K549-L553 VanDerWaalsContact O-CB 3.31Å; K549-L553 WeakPolarHBondContact O-CB 3.42Å; K549-L553 WeakPolarHBondContact O-CD1 3.34Å; K549-L553 PolarHBondContact O-N 2.98Å; Q550-L553 PolarHBondContact O-N 3.43Å
554M49.3Very low41.3Very low112 Ų112105.1 Ų105.155%0.55253%0.527SS*.Hα-helixtrans-65.6-44.7173.1-71.5-77.1-79.900110.8Q550 T551 L552 Q556 S557Q550-M554 WeakPolarHBondContact O-CG 3.49Å; Q550-M554 PolarHBondContact O-N 3.23Å; T551-M554 PolarHBondContact O-N 3.47Å; L552-M554 VanDerWaalsContact C-N 3.35Å; M554-Q556 PolarHBondContact O-N 2.86Å; M554-S557 WeakPolarHBondContact O-CB 3.37Å; M554-S557 PolarHBondContact O-N 2.89Å; M554-S557 PolarHBondContact O-OG 3.27Å
555L47.7Very low41.1Very low32 Ų32106.4 Ų106.417%0.16854%0.542CS..Hα-helixtrans-62.6-37.4178-70.9164.2000113H69 T551 L552 S557 R558H69-L555 HydrophobicContact CB-CD2 4.24Å; T551-L555 PolarHBondContact O-N 3.17Å; L552-L555 HydrophobicContact CD2-CD1 4.39Å; L552-L555 PolarHBondContact O-N 3.09Å; L555-S557 PolarHBondContact O-N 3.08Å; L555-R558 PolarHBondContact O-N 3.35Å
556Q47.1Very low40.8Very low55 Ų55106.5 Ų106.526%0.25755%0.55SS..THydrogen-bonded Turntrans-54.8-23.3174.6-76.7173.7-27.100114W40 E44 L552 M554W40-Q556 HydrophobicContact CZ2-CG 3.75Å; E44-Q556 PolarHBondContact OE1-NE2 3.08Å; L552-Q556 WeakPolarHBondContact O-CG 3.34Å; L552-Q556 PolarHBondContact O-N 3.26Å; L552-Q556 VanDerWaalsContact O-N 3.11Å; M554-Q556 PolarHBondContact O-N 2.86Å
557S42.9Very low40.8Very low83 Ų83108.3 Ų108.358%0.5856%0.563SS**THydrogen-bonded Turntrans-77.2-25-178.273.70000114.5M554 L555M554-S557 WeakPolarHBondContact O-CB 3.37Å; M554-S557 PolarHBondContact O-N 2.89Å; M554-S557 PolarHBondContact O-OG 3.27Å; L555-S557 PolarHBondContact O-N 3.08Å
558R42Very low40.3Very low105 Ų105113.1 Ų113.140%0.39659%0.585SS.*THydrogen-bonded Turntrans-102.5-23.7-168.5-68.1-177.9-176.4-147.73.3114.7D262 E266 L555 R560D262-R558 VanDerWaalsContact CG-NH1 3.25Å; D262-R558 WeakPolarHBondContact OD1-CD 3.5Å; D262-R558 IonicContact OD1-CZ 3.73Å; D262-R558 IonicContact OD1-NE 2.85Å; D262-R558 IonicContact OD1-NH1 3.96Å; D262-R558 PolarHBondContact OD1-NH1 2.99Å; D262-R558 VanDerWaalsContact OD2-CD 3.24Å; D262-R558 WeakPolarHBondContact OD2-CD 3.42Å; D262-R558 IonicContact OD2-NE 2.68Å; E266-R558 IonicContact OE1-CZ 2.72Å; E266-R558 IonicContact OE1-NH2 3.86Å; E266-R558 PolarHBondContact OE1-NH2 2.92Å; L555-R558 PolarHBondContact O-N 3.35Å; R558-R560 PolarHBondContact O-N 3.47Å
559S37.6Very low40Very low83 Ų83116.8 Ų116.858%0.5861%0.611SS**G310 helixtrans-62-18.1-176.763.90000115.5L561S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 3.05Å
560R35.6Very low39.5Very low224 Ų224116.2 Ų116.285%0.84562%0.623SS**G310 helixtrans-83.78-175-62.1-171.7179.2-159.7-1115.4R558R558-R560 PolarHBondContact O-N 3.47Å
561L33.6Very low38.9Very low156 Ų156117.5 Ų117.582%0.81763%0.633SS**G310 helixtrans-122.414.2-173.2-75.9174.7000116.3S559S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 3.05Å
562V30.5Very low38.5Very low126 Ų126121.5 Ų121.576%0.76466%0.659SS**  trans-117.872.2173.4-1710000110.8
563N29.4Very low37.5Very low164 Ų164125.2 Ų125.288%0.87769%0.687SS**  trans-16855.4168.5-108.2-38.9000114.3
564K28.8Very low36.7Very low214 Ų214125.6 Ų125.693%0.9370%0.699SS**  trans-160.5103.2159.9-134.5161.3-173.2165.90114.6
565A32.1Very low36Very low92 Ų92125.5 Ų125.576%0.7671%0.709SS**  trans-134.8140.8162.400000108.5
566N29.7Very low35.6Very low154 Ų154130.1 Ų130.182%0.82474%0.744SS**  trans33109.3170.7-62.4-6.9000118.9
567D37.6Very low35Very low164 Ų164136 Ų13688%0.87777%0.769SS**  -158.2146.8115.3-103.9-25.4000111.4
568N30.5Very low34.6Very low158 Ų158137.4 Ų137.485%0.84578%0.776SS**  trans-132.9131.3175.8-96.5-43.3000107.8
569P38.5Very low34.2Very low118 Ų118139.5 Ų139.577%0.76679%0.791SS**  -144.9149.1110.934-18.1000116.4
570S37.9Very low34.3Very low109 Ų109139.9 Ų139.976%0.76279%0.791SS**  trans8.7117.1156550000122.2
571L36.1Very low34.3Very low163 Ų163135 Ų13585%0.85379%0.786SS**  -7.8160.2125.4-74160.8000118.7
572P36.7Very low34.4Very low107 Ų107134.5 Ų134.570%0.69578%0.779SS**  cis-145.316424.843.2-24.2000120.4
573S31.5Very low34.3Very low102 Ų102133 Ų13371%0.71377%0.771SS**  trans47.9120.3139.766.60000124.7
574S36.1Very low34.6Very low117 Ų117134.5 Ų134.582%0.81877%0.77SS**  159.6149.6119.854.30000111.5
575S33.9Very low34.6Very low110 Ų110129.3 Ų129.377%0.76976%0.761SS**  cis173103.7-38470000108
576S38.9Very low35.3Very low129 Ų129130 Ų13090%0.90276%0.757SS**  trans-169.3135.7158.5540000114.3
577K34.3Very low35.6Very low178 Ų178130.9 Ų130.977%0.77476%0.757SS**  trans-118-175.9168.3-125.1-162.9172.4-171.50107
578P36.3Very low35.9Very low112 Ų112128 Ų12873%0.72775%0.746SS**  cis-140.5173.44.139.8-18.6000119.2
579Q31.9Very low36.2Very low150 Ų150127.3 Ų127.370%0.70175%0.748SS**  trans-40.9-175.3144.7-97-177.2-6600118.2
580P40.6Very low36.1Very low91 Ų91130.7 Ų130.759%0.59175%0.751SS**  cis-145.7-152.6-21.837-13.5000115.5
581T34.8Very low36.1Very low121 Ų121130.1 Ų130.174%0.74275%0.746SS**  trans77.9153.8150.535.30000119.3
582E35.7Very low36.1Very low145 Ų145128.9 Ų128.968%0.67874%0.741SS**  cis-141.5147.63.5-97.5-119.9-76.800109.3
583T28.4Very low36Very low95 Ų95130.6 Ų130.658%0.58374%0.742SS**  76.3125.576.5-47.80000116.6
584F35.9Very low36.3Very low196 Ų196133.3 Ų133.386%0.8675%0.747SS**  trans171.7161.3134.6-95.4-65.3000114.1
585S29.5Very low36Very low105 Ų105136.9 Ų136.973%0.73475%0.748SS**  trans-166.5-179.4-173.9-153.40000108.6
586P45.9Very low35.9Very low106 Ų106138.8 Ų138.869%0.68876%0.755SS**  cis-124.6-128.2-6.426.90.8000111.6
587E35.6Very low35.5Very low173 Ų173139.1 Ų139.181%0.80874%0.742SS**  cis-159.4-1590.2-133-160.4106.400109.9
588P45.3Very low35.4Very low102 Ų102136.3 Ų136.366%0.66274%0.74SS**  trans-131.7-170-151.842.4-19.3000117.3
589V36.8Very low35.2Very low145 Ų145136.2 Ų136.288%0.87973%0.734SS**  trans-161.9165.1149.9132.80000112.3
590K36.3Very low35.2Very low189 Ų189136.1 Ų136.182%0.82274%0.736SS**  trans-85.3177-163.1-49166.4175.5171.40114.5
591S36.5Very low34.7Very low96 Ų96138.5 Ų138.567%0.67174%0.744SS**  cis-157-162.416.7-44.30000111.9
592D37.9Very low34.3Very low137 Ų137139.1 Ų139.173%0.73374%0.743SS**  cis-164.2-175.4-1.8-126.1-37000115.6
593I34.8Very low34.2Very low143 Ų143137.6 Ų137.673%0.73375%0.748SS**  trans-20.9143.3165.7-10.5179.6000118.6
594I35.9Very low34.4Very low159 Ų159141.8 Ų141.882%0.81576%0.761SS**  -153.5155.352.8-69174.8000114.3
595K30.4Very low34.2Very low192 Ų192139.5 Ų139.584%0.83576%0.758SS**  trans-100.2159.3-179.6-52.1172.8177.71790114.9
596V32Very low34.4Very low151 Ų151141.9 Ų141.992%0.91576%0.762SS**  -152.1151126.5167.20000109.2
597Q31.2Very low33.7Very low135 Ų135145 Ų14563%0.63177%0.771SS**  trans-104.5146.5-170.3-177.768.424.300113.7N599Q597-N599 PolarHBondContact NE2-OD1 3.38Å
598T32.4Very low33.5Very low120 Ų120142.3 Ų142.374%0.73677%0.769SS**  148.7139127.847.70000112
599N30.8Very low32.9Very low110 Ų110143.5 Ų143.559%0.58878%0.777SS**  cis-160.6129.6-18.3-110.84.2000109.1Q597Q597-N599 PolarHBondContact NE2-OD1 3.38Å
600I31.9Very low32.5Very low147 Ų147142.9 Ų142.975%0.75477%0.773SS**  trans30.9110.2143.7-43.5166.7000116.6
601D30.2Very low32.3Very low142 Ų142139.6 Ų139.676%0.75977%0.771SS**  cis85.5156.715.4-139.3-2.6000118.4
602N26.9Very low32Very low133 Ų133144.9 Ų144.971%0.71178%0.782SS**  trans-115.1177.6-158-52.2-97000113.2
603S33.2Very low31.5Very low114 Ų114149.3 Ų149.380%0.79779%0.789SS**  trans65.1167.3169.278.40000115.2
604E32.5Very low31.3Very low183 Ų183152.7 Ų152.786%0.85580%0.798SS**  cis-154.2157.4-35.2-116.9-173.5166.900108.5
605D32.7Very low30.7Very low147 Ų147150.9 Ų150.979%0.78680%0.795SS**  trans62.9173.1153.6-148.28.3000121.3
606L33.4Very low30.4Very low155 Ų155150 Ų15081%0.81280%0.798SS**  trans93.7111.6170.4-52.7-173.7000119.3
607L30.5Very low30.1Very low171 Ų171150.7 Ų150.790%0.89579%0.791SS**  trans-94151.7174.7-65.2167.9000113.4
608P32.4Very low29.8Very low118 Ų118152.8 Ų152.877%0.76680%0.799SS**  trans-97.4163.2157.833.9-27000113.4
609P32.4Very low29.4Very low126 Ų126154.4 Ų154.482%0.81880%0.795SS**  trans-106.7170.1-153.840.1-37.5000118.1
610V28.4Very low29.2Very low132 Ų132157 Ų15780%0.880%0.804SS**  trans-88.7131.4-173.91740000114.6
611P31.1Very low28.8Very low121 Ų121156.5 Ų156.579%0.78681%0.808SS**  trans-76.3160.3167.2-17.232.9000114.6
612K31.6Very low28.5Very low206 Ų206157.5 Ų157.590%0.89681%0.813SS**  trans-106.3152.1-164-65.8175.2-177.5171.80115.8
613R25.7Very low28.5Very low231 Ų231157.2 Ų157.287%0.87282%0.822SS**  trans-38.3152.3175.6-55.5172.5179.5135.4-1.1116.7
614K30.4Very low28.1Very low214 Ų214156.5 Ų156.593%0.9382%0.817SS**  trans-135.8149.9130.5-80.5-165.5176.9-179.80110.9
615T23.4Very low27.9Very low121 Ų121155.3 Ų155.374%0.74281%0.814SS**  trans-114143.8177-58.20000108.9
616L26.1Very low27.6Very low172 Ų172152.9 Ų152.990%0.90182%0.815SS**  trans-157.9138.2158-110.9166.4000109.8
617E23.8Very low27.4Very low166 Ų166151.3 Ų151.378%0.77682%0.817SS**  trans-95.6151.6174.5-52.9177.5152.800110
618F25.4Very low27.2Very low180 Ų180150.5 Ų150.579%0.78981%0.814SS**  -166.6177.5116-137.1-119.6000114.7
619K25.3Very low27.2Very low153 Ų153150.9 Ų150.967%0.66582%0.819SS**  trans-68.5134.8-164.3-68.9-178.7-178-179.10117.6
620Q25.3Very low27.1Very low165 Ų165154.5 Ų154.577%0.77182%0.822SS**  31.7116.5114.9-179.3-166.532.600118.9
621T23.9Very low27.4Very low137 Ų137154.3 Ų154.384%0.8483%0.827SS**  -171.8165.9122.5160000112.2
622N23.6Very low27.4Very low162 Ų162156.9 Ų156.987%0.86683%0.825SS**  trans-97.4149.2-177-39.8-49.3000112.2
623S27.1Very low27.6Very low127 Ų127154.5 Ų154.589%0.88882%0.823SS**  trans-163.8164.7136.157.70000111.3
624S25.3Very low27.7Very low100 Ų100150 Ų15070%0.69981%0.814SS**  trans-135-172.9-174.356.80000110.7
625I28.2Very low27.7Very low157 Ų157147.2 Ų147.281%0.80581%0.809SS**  trans75.5104.7176.3-52.5167000111.5
626A25.9Very low27.9Very low96 Ų96149.7 Ų149.779%0.79381%0.812SS**  77.3132.75400000114.3
627S29.6Very low28.1Very low123 Ų123150.9 Ų150.986%0.8681%0.81SS**  trans-141.4130.5177.650.40000111.2
628N26Very low28.3Very low154 Ų154147.5 Ų147.582%0.82481%0.81SS**  trans-79.4158.2177.2-80.8-52.9000111.7
629S33.8Very low28.5Very low126 Ų126144 Ų14488%0.88181%0.808SS**  trans-140134.3152.8-83.10000110.1
630K28.4Very low28.7Very low202 Ų202141.8 Ų141.888%0.87881%0.812SS**  trans-103.5144.5-177.2-63.9175.1178.4176.70110.2
631S35.3Very low29.1Very low128 Ų128139.3 Ų139.390%0.89581%0.813SS**  trans-137.4146.3156.451.60000109.7
632K32.1Very low29.3Very low174 Ų174139.6 Ų139.676%0.75781%0.809SS**  trans-113.5155.2-173.9-58.5176-179.2178.60110.2
633N34.3Very low29.8Very low157 Ų157139.6 Ų139.684%0.8481%0.809SS**  trans-176.8113.3140.1-83.9-27.1000105.5
634I28.4Very low29.9Very low135 Ų135142 Ų14269%0.69281%0.807SS**  66.799.956.4-54.9175.7000112.5
635L31.2Very low30.1Very low157 Ų157144.2 Ų144.282%0.82282%0.815SS**  -159.7155.9116.1-102.7173.5000110.4F637L635-F637 HydrophobicContact CD2-CE2 4.37Å
636Q26.3Very low30.1Very low172 Ų172145.9 Ų145.980%0.80482%0.817SS**  trans-150.6132.3-169168.7-164.7-4.600109.2
637F30.6Very low30.7Very low198 Ų198146.5 Ų146.587%0.86881%0.813SS**  trans-151.7155.5161.9-81.9-65000112.6L635L635-F637 HydrophobicContact CD2-CE2 4.37Å
638A28.4Very low30.7Very low94 Ų94148.4 Ų148.478%0.77781%0.81SS**  trans-158.6179.6178.100000107.5
639S28.8Very low30.8Very low107 Ų107146.6 Ų146.675%0.74881%0.805SS**  cis-158.6-163.19.9-160.70000109.5
640S30.2Very low30.8Very low106 Ų106146.4 Ų146.474%0.74180%0.799SS**  trans68.4156.6167.123.80000116.2
641S34Very low31Very low114 Ų114144.6 Ų144.680%0.79779%0.794SS**  cis-154.5178.4-0.2-114.70000111.8
642N29Very low31Very low142 Ų142144.8 Ų144.876%0.75979%0.785SS**  trans-61.2158.9176.1-53-28.1000114.2
643D32.3Very low31.3Very low162 Ų162142.9 Ų142.987%0.86678%0.782SS**  -169.6168.3101.9-101.3-19.7000114.4
644Q29.7Very low31.4Very low179 Ų179143 Ų14384%0.83678%0.778SS**  trans-105.9162.6-178.2-58.4178.7-0.400112.3
645V29.8Very low31.8Very low145 Ų145141.7 Ų141.788%0.87977%0.772SS**  trans-175.6153.2134.3139.80000111.3
646F27.3Very low32.1Very low193 Ų193140.7 Ų140.785%0.84676%0.761SS**  trans-109.7-156.2-177.1-99.1-79.5000111.3
647P38.5Very low32.2Very low108 Ų108141.9 Ų141.970%0.70176%0.76SS**  -129.7-171.5-107.738.3-15.4000115.4
648M29.7Very low32.4Very low163 Ų163141.2 Ų141.280%0.80376%0.762SS**  153.7142.2127.9-89.6-160.1141.400116
649T27.9Very low32.7Very low117 Ų117143.4 Ų143.472%0.71877%0.765SS**  trans51.1150.6146.657.30000120.8
650T35.1Very low32.8Very low122 Ų122143 Ų14375%0.74876%0.762SS**  cis-157.7-172.945.1-30.90000112.2
651E31.8Very low32.9Very low164 Ų164142.9 Ų142.977%0.76676%0.761SS**  trans-107.2-170.1-154.9-50.2168.4110.200116.4
652N35.8Very low32.9Very low132 Ų132146 Ų14671%0.70676%0.76SS**  trans102138.9164.8-57.6-73.9000116.4
653N38.7Very low32.9Very low133 Ų133148.5 Ų148.571%0.71177%0.767SS**  cis-155.4176-4.5-128.6-37.3000114.4
654H35.5Very low32.6Very low161 Ų161149.1 Ų149.175%0.74577%0.77SS**  trans-49.4165.8176.9-79.8-90.6000116.8
655D37.1Very low32.5Very low107 Ų107146.3 Ų146.357%0.57277%0.767SS**  cis-164.7-171.822.3-137.21.9000110.7
656K37.2Very low32.4Very low135 Ų135145 Ų14559%0.58777%0.765SS**  cis-162.9179.33.1-149.3163.2-169.6810111.5
657Y29.8Very low32.3Very low198 Ų198141.2 Ų141.278%0.77676%0.762SS**  trans63.7104.8156.4-66.2-58.2000122.6
658M33.5Very low31.8Very low184 Ų184141.7 Ų141.791%0.90677%0.768SS**  -161.1174.5115.8-97.6-131.572.600110.8
659V35.1Very low31.8Very low139 Ų139141.3 Ų141.384%0.84277%0.768SS**  trans-101156.1-159.6177.50000113.5
660S30.1Very low31.7Very low98 Ų98145 Ų14569%0.68577%0.774SS**  trans-111.8154.3-162.3173.60000115
661S33.8Very low31.5Very low105 Ų105142.9 Ų142.973%0.73476%0.762SS**  trans-161.9111.5132.3-860000115.1
662K33.3Very low31.4Very low179 Ų179141.8 Ų141.878%0.77876%0.761SS**  trans52.2100.3138.8-54.1173.7-174.5177.90118
663Q28.2Very low31.3Very low194 Ų194144.4 Ų144.491%0.90776%0.762SS**  71.1107.569.6-70.5-172.4-59.600117.2
664L27.5Very low31.4Very low175 Ų175145.4 Ų145.492%0.91676%0.762SS**  trans-150.9146.4132.3-15264.9000108
665P27.9Very low31.5Very low120 Ų120142 Ų14278%0.77975%0.745SS**  trans-109.6143.5-164.337.8-30.3000115.4
666S26.2Very low32.2Very low118 Ų118143.6 Ų143.683%0.82575%0.749SS**  trans-153.6138.3160.157.60000111.4S668S666-S668 PolarHBondContact O-N 2.91Å
667S26.6Very low33.4Very low114 Ų114141.3 Ų141.380%0.79775%0.748SS**  trans-52.1126.5-177.648.50000114.5L669S667-L669 PolarHBondContact O-N 2.95Å
668S27Very low35.5Very low117 Ų117135.4 Ų135.482%0.81873%0.727SS**  trans-75.5111.3168.442.10000111S666 K670S666-S668 PolarHBondContact O-N 2.91Å; S668-K670 PolarHBondContact O-N 2.88Å; S668-K670 VanDerWaalsContact O-N 3.14Å
669L29.8Very low37.6Very low156 Ų156127.6 Ų127.682%0.81769%0.69SS**  trans-66.2109.3168.3-77.3167.3000109.5S667 T671S667-L669 PolarHBondContact O-N 2.95Å; L669-T671 VanDerWaalsContact C-N 3.32Å; L669-T671 PolarHBondContact O-N 3.47Å
670K26.8Very low40Very low193 Ų193126.2 Ų126.284%0.83967%0.67SS**  trans-6991.6161.7-76.7-173.9174.3-174.60108.8S668 D672S668-K670 PolarHBondContact O-N 2.88Å; S668-K670 VanDerWaalsContact O-N 3.14Å; K670-D672 PolarHBondContact O-N 3.5Å
671T29.3Very low42.6Very low79 Ų79121.6 Ų121.649%0.48564%0.638SS.*  trans-74.498165.946.40000109.1L669 Y673L669-T671 VanDerWaalsContact C-N 3.32Å; L669-T671 PolarHBondContact O-N 3.47Å; T671-Y673 VanDerWaalsContact O-CD2 3.22Å; T671-Y673 WeakPolarHBondContact O-CD2 3.44Å; T671-Y673 PolarHBondContact O-N 2.7Å; T671-Y673 WeakPolarHBondContact OG1-CE2 3.2Å
672D30.5Very low44.8Very low141 Ų141120.5 Ų120.575%0.75462%0.621SS**  trans-68.595.6172.3-87.1-41.6000110.3K670 H674K670-D672 PolarHBondContact O-N 3.5Å; D672-H674 PolarHBondContact O-N 3.37Å
673Y34Very low47Very low187 Ų187115 Ų11573%0.73360%0.6SS**  trans-76.665.1-179.9-72.5-70.2000112.6T671 F675T671-Y673 VanDerWaalsContact O-CD2 3.22Å; T671-Y673 WeakPolarHBondContact O-CD2 3.44Å; T671-Y673 PolarHBondContact O-N 2.7Å; T671-Y673 WeakPolarHBondContact OG1-CE2 3.2Å; Y673-F675 PolarHBondContact O-N 2.98Å; Y673-F675 VanDerWaalsContact O-N 3.16Å
674H40.3Very low49.5Very low154 Ų154105.9 Ų105.971%0.71356%0.558SS**  trans-55.2119.9161.1-92.4-86.3000109.3D672 H676D672-H674 PolarHBondContact O-N 3.37Å; H674-H676 PolarHBondContact O-N 3.07Å; H674-H676 PolarHBondContact O-ND1 2.9Å
675F38.1Very low51.9Low88 Ų88101.7 Ų101.739%0.38653%0.53SS..  trans-6696.6-176178.6-100.9000111.1Y673 P677 L865 L872Y673-F675 PolarHBondContact O-N 2.98Å; Y673-F675 VanDerWaalsContact O-N 3.16Å; F675-P677 HydrophobicContact CE1-CB 4.44Å; F675-P677 HydrophobicContact CE1-CG 4.35Å; F675-P677 VanDerWaalsContact O-CD 3.3Å; F675-P677 WeakPolarHBondContact O-CD 3.47Å; F675-L865 HydrophobicContact CE2-CD1 4.13Å; F675-L865 HydrophobicContact CZ-CD1 3.93Å; F675-L872 HydrophobicContact CD1-CD1 4.41Å
676H52.6Low54Low141 Ų14198.1 Ų98.165%0.65351%0.505SS*.  trans-96.8103.2169.4-7182.1000108.5H674H674-H676 PolarHBondContact O-N 3.07Å; H674-H676 PolarHBondContact O-ND1 2.9Å
677P61.6Low56.2Low88 Ų8897 Ų9757%0.57149%0.485SS*.PPolyproline II helixtrans-58.1146156.728.8-33.2000108F675F675-P677 HydrophobicContact CE1-CB 4.44Å; F675-P677 HydrophobicContact CE1-CG 4.35Å; F675-P677 VanDerWaalsContact O-CD 3.3Å; F675-P677 WeakPolarHBondContact O-CD 3.47Å
678F74.7Confident58.2Low74 Ų7494.1 Ų94.133%0.32546%0.46SS..PPolyproline II helixtrans-50.5143.1-171.556.2-90.7000112.8T706 R708 L805F678-T706 VanDerWaalsContact CA-O 3.26Å; F678-T706 WeakPolarHBondContact CA-O 3.46Å; F678-T706 WeakPolarHBondContact CB-O 3.46Å; F678-R708 HydrophobicContact CB-CB 4.5Å; F678-R708 HydrophobicContact CD2-CB 3.96Å; F678-R708 HydrophobicContact CE2-CB 4.39Å; F678-R708 HydrophobicContact CG-CB 4.04Å; F678-L805 HydrophobicContact CB-CD2 4.27Å; F678-L805 HydrophobicContact CD1-CD2 4.42Å
679C76Confident60.1Low19 Ų1993.1 Ų93.113%0.12845%0.446CS..PPolyproline II helixtrans-101.1157.6173.256.90000111.3D683 T706C679-D683 HydrophobicContact CB-CB 4.3Å; C679-T706 PolarHBondContact N-O 3.5Å
680Y85.9Confident61.6Low111 Ų11191.7 Ų91.744%0.43543%0.433SS..PPolyproline II helixtrans-81.3152.9172.8-64.5-76.3000110.8Q682 D683 I684 D734Y680-Q682 PolarHBondContact O-N 3.06Å; Y680-D683 PolarHBondContact N-OD2 2.86Å; Y680-D683 WeakPolarHBondContact O-CB 3.46Å; Y680-D683 PolarHBondContact O-N 2.93Å; Y680-I684 PolarHBondContact O-N 2.73Å; Y680-D734 WeakPolarHBondContact CA-OD2 3.23Å; Y680-D734 VanDerWaalsContact CB-OD2 3.26Å; Y680-D734 WeakPolarHBondContact CB-OD2 3.46Å; Y680-D734 WeakPolarHBondContact CD1-OD2 3.18Å
681I84.6Confident63.1Low1 Ų187.3 Ų87.31%0.00542%0.422CS..Hα-helixtrans-57.8-36.4176-60.7171.2000110.1D683 I684 Y685 I707 I732 D734 S736 A737 L739I681-D683 PolarHBondContact O-N 3.38Å; I681-I684 WeakPolarHBondContact O-CB 3.45Å; I681-I684 PolarHBondContact O-N 3.28Å; I681-Y685 HydrophobicContact CG2-CD2 4.09Å; I681-Y685 HydrophobicContact CG2-CE2 3.59Å; I681-Y685 WeakPolarHBondContact O-CD2 3.41Å; I681-Y685 PolarHBondContact O-N 2.96Å; I681-I707 HydrophobicContact CG1-CD1 3.73Å; I681-I707 HydrophobicContact CG1-CG2 3.86Å; I681-I732 HydrophobicContact CD1-CD1 4.36Å; I681-I732 HydrophobicContact CD1-CG1 4.35Å; I681-D734 HydrophobicContact CD1-CB 3.98Å; I681-D734 WeakPolarHBondContact CD1-OD1 3.39Å; I681-D734 HydrophobicContact CG1-CB 4.04Å; I681-D734 PolarHBondContact N-OD2 3.4Å; I681-S736 PolarHBondContact N-OG 3.23Å; I681-A737 HydrophobicContact CB-CB 4.03Å; I681-A737 HydrophobicContact CG2-CB 3.8Å; I681-L739 HydrophobicContact CD1-CB 4.13Å; I681-L739 HydrophobicContact CG2-CB 4.09Å; I681-L739 HydrophobicContact CG2-CD1 4.35Å
682Q81.1Confident64.2Low81 Ų8192.1 Ų92.138%0.37944%0.436SS..Hα-helixtrans-61.3-40.8173.4-170.860.953.100112.8Y680 I684 Y685 D686 S736Y680-Q682 PolarHBondContact O-N 3.06Å; Q682-I684 PolarHBondContact O-N 2.79Å; Q682-Y685 PolarHBondContact O-N 2.84Å; Q682-D686 PolarHBondContact NE2-OD1 2.91Å; Q682-D686 WeakPolarHBondContact O-CB 3.37Å; Q682-D686 PolarHBondContact O-N 3.41Å; Q682-S736 PolarHBondContact N-OG 2.72Å; Q682-S736 VanDerWaalsContact N-OG 3.08Å
683D79Confident65.1Low63 Ų6392.2 Ų92.234%0.33744%0.437SS..Hα-helixtrans-61.6-29.5177.6-53.7-32.2000111.9C679 Y680 I681 K687C679-D683 HydrophobicContact CB-CB 4.3Å; Y680-D683 PolarHBondContact N-OD2 2.86Å; Y680-D683 WeakPolarHBondContact O-CB 3.46Å; Y680-D683 PolarHBondContact O-N 2.93Å; I681-D683 PolarHBondContact O-N 3.38Å; D683-K687 WeakPolarHBondContact O-CB 3.27Å; D683-K687 WeakPolarHBondContact O-CD 3.49Å; D683-K687 WeakPolarHBondContact O-CG 3.27Å; D683-K687 PolarHBondContact O-N 2.9Å
684I80.4Confident65.7Low4 Ų486.8 Ų86.82%0.02143%0.426CS..Hα-helixtrans-74.1-47.2178.4-59.9173.7000110.1Y680 I681 Q682 D686 K687 L688 Y705 I707 I810Y680-I684 PolarHBondContact O-N 2.73Å; I681-I684 WeakPolarHBondContact O-CB 3.45Å; I681-I684 PolarHBondContact O-N 3.28Å; Q682-I684 PolarHBondContact O-N 2.79Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 3.28Å; I684-K687 PolarHBondContact O-N 3.03Å; I684-L688 HydrophobicContact CG2-CD1 4.02Å; I684-L688 HydrophobicContact CG2-CG 4.44Å; I684-L688 VanDerWaalsContact O-CG 3.3Å; I684-L688 WeakPolarHBondContact O-CG 3.5Å; I684-L688 PolarHBondContact O-N 3.01Å; I684-Y705 VanDerWaalsContact CD1-CB 3.5Å; I684-Y705 HydrophobicContact CD1-CD1 4.06Å; I684-Y705 HydrophobicContact CD1-CD2 4.13Å; I684-Y705 HydrophobicContact CD1-CG 3.65Å; I684-Y705 HydrophobicContact CG1-CD1 3.73Å; I684-Y705 HydrophobicContact CG1-CD2 4.33Å; I684-Y705 HydrophobicContact CG1-CE1 4.14Å; I684-Y705 HydrophobicContact CG1-CG 3.83Å; I684-Y705 HydrophobicContact CG2-CD2 4.02Å; I684-Y705 HydrophobicContact CG2-CE1 4.4Å; I684-Y705 HydrophobicContact CG2-CE2 3.84Å; I684-Y705 HydrophobicContact CG2-CG 4.36Å; I684-I707 HydrophobicContact CD1-CD1 3.27Å; I684-I707 HydrophobicContact CD1-CG1 3.84Å; I684-I810 HydrophobicContact CG2-CD1 3.44Å; I684-I810 VanDerWaalsContact CG2-CD1 3.44Å
685Y77Confident65.6Low86 Ų8684.6 Ų84.634%0.33743%0.428SS..Hα-helixtrans-57.5-48.5172.7-70.5-54.7000111I681 Q682 K687 L688 L689 A737 I738 L739I681-Y685 HydrophobicContact CG2-CD2 4.09Å; I681-Y685 HydrophobicContact CG2-CE2 3.59Å; I681-Y685 WeakPolarHBondContact O-CD2 3.41Å; I681-Y685 PolarHBondContact O-N 2.96Å; Q682-Y685 PolarHBondContact O-N 2.84Å; Y685-K687 VanDerWaalsContact C-N 3.29Å; Y685-K687 PolarHBondContact O-N 2.68Å; Y685-L688 PolarHBondContact O-N 2.78Å; Y685-L688 VanDerWaalsContact O-N 3.14Å; Y685-L689 WeakPolarHBondContact O-CD1 3.33Å; Y685-L689 PolarHBondContact O-N 3.35Å; Y685-A737 HydrophobicContact CD2-CB 4.4Å; Y685-A737 HydrophobicContact CE2-CB 4.04Å; Y685-I738 PolarHBondContact OH-O 2.99Å; Y685-I738 VanDerWaalsContact OH-O 3.09Å; Y685-L739 HydrophobicContact CE1-CD1 4.35Å; Y685-L739 WeakPolarHBondContact OH-CD1 3.35Å
686D73.2Confident65.7Low46 Ų4687.4 Ų87.425%0.24645%0.448CS..Hα-helixtrans-58.1-37.1177.8-85.640.8000113.3Q682 I684 K690Q682-D686 PolarHBondContact NE2-OD1 2.91Å; Q682-D686 WeakPolarHBondContact O-CB 3.37Å; Q682-D686 PolarHBondContact O-N 3.41Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 3.28Å; D686-K690 VanDerWaalsContact O-CD 3.26Å; D686-K690 WeakPolarHBondContact O-CD 3.47Å; D686-K690 VanDerWaalsContact O-CG 3.26Å; D686-K690 WeakPolarHBondContact O-CG 3.36Å; D686-K690 PolarHBondContact O-N 3.26Å; D686-K690 IonicContact OD2-NZ 2.72Å
687K71.4Confident65.1Low94 Ų9486 Ų8641%0.40945%0.454SS..Hα-helixtrans-68.4-49173.2-78.1168.1-176.21740111.5D683 I684 Y685 L689 K690 T691 Y705D683-K687 WeakPolarHBondContact O-CB 3.27Å; D683-K687 WeakPolarHBondContact O-CD 3.49Å; D683-K687 WeakPolarHBondContact O-CG 3.27Å; D683-K687 PolarHBondContact O-N 2.9Å; I684-K687 PolarHBondContact O-N 3.03Å; Y685-K687 VanDerWaalsContact C-N 3.29Å; Y685-K687 PolarHBondContact O-N 2.68Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.41Å; K687-K690 PolarHBondContact O-N 3.13Å; K687-K690 VanDerWaalsContact O-N 3.13Å; K687-T691 PolarHBondContact O-N 3.05Å; K687-T691 PolarHBondContact O-OG1 3.19Å; K687-T691 VanDerWaalsContact O-OG1 3.05Å; K687-Y705 HydrophobicContact CD-CE1 4.13Å
688L69.3Low63.8Low53 Ų5387.2 Ų87.228%0.27746%0.464SS..Hα-helixtrans-61.6-35.3-178.5-70.4170.7000113I684 Y685 I810I684-L688 HydrophobicContact CG2-CD1 4.02Å; I684-L688 HydrophobicContact CG2-CG 4.44Å; I684-L688 VanDerWaalsContact O-CG 3.3Å; I684-L688 WeakPolarHBondContact O-CG 3.5Å; I684-L688 PolarHBondContact O-N 3.01Å; Y685-L688 PolarHBondContact O-N 2.78Å; Y685-L688 VanDerWaalsContact O-N 3.14Å; L688-I810 HydrophobicContact CD1-CD1 3.83Å; L688-I810 HydrophobicContact CD1-CG2 4.26Å; L688-I810 HydrophobicContact CD2-CG2 4.3Å
689L66.3Low61.9Low97 Ų9788.9 Ų88.951%0.50849%0.485SS..Hα-helixtrans-62.4-54.2170.6-88.578.9000110.6M157 Y685 K687 T691 K692M157-L689 HydrophobicContact CE-CD2 4.46Å; Y685-L689 WeakPolarHBondContact O-CD1 3.33Å; Y685-L689 PolarHBondContact O-N 3.35Å; K687-L689 VanDerWaalsContact C-N 3.3Å; K687-L689 PolarHBondContact O-N 3.41Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.21Å; L689-K692 WeakPolarHBondContact O-CB 3.48Å; L689-K692 PolarHBondContact O-N 3.19Å
690K62.5Low60Low126 Ų12693.7 Ų93.755%0.54852%0.519SS..Hα-helixtrans-60.5-33.6-177-70.2164.5-170.8158.40113.5D686 K687 K692 S694D686-K690 VanDerWaalsContact O-CD 3.26Å; D686-K690 WeakPolarHBondContact O-CD 3.47Å; D686-K690 VanDerWaalsContact O-CG 3.26Å; D686-K690 WeakPolarHBondContact O-CG 3.36Å; D686-K690 PolarHBondContact O-N 3.26Å; D686-K690 IonicContact OD2-NZ 2.72Å; K687-K690 PolarHBondContact O-N 3.13Å; K687-K690 VanDerWaalsContact O-N 3.13Å; K690-K692 PolarHBondContact O-N 3.31Å; K690-S694 PolarHBondContact O-OG 2.98Å
691T58.5Low58.2Low100 Ų10095 Ų9561%0.61353%0.532SS*.Hα-helixtrans-69.5-20175.8-53.10000112.9K687 L689 S694K687-T691 PolarHBondContact O-N 3.05Å; K687-T691 PolarHBondContact O-OG1 3.19Å; K687-T691 VanDerWaalsContact O-OG1 3.05Å; L689-T691 VanDerWaalsContact C-N 3.29Å; L689-T691 PolarHBondContact O-N 3.21Å; T691-S694 WeakPolarHBondContact CA-OG 3.42Å
692K52.1Low56.8Low180 Ų18099.4 Ų99.478%0.78356%0.555SS**Hα-helixtrans-79.2-28179.8-162.7165.7-173.8170.80113.5L689 K690L689-K692 WeakPolarHBondContact O-CB 3.48Å; L689-K692 PolarHBondContact O-N 3.19Å; K690-K692 PolarHBondContact O-N 3.31Å
693D48.9Very low56.4Low143 Ų14397.7 Ų97.777%0.76555%0.551SS**SBendtrans-88.7-9.9-179.6-56.2-35.2000113.1
694S46.4Very low56.5Low74 Ų7498.4 Ų98.452%0.51756%0.557SS.*  trans-105.863.8-173.938.90000112.5K690 T691 N696K690-S694 PolarHBondContact O-OG 2.98Å; T691-S694 WeakPolarHBondContact CA-OG 3.42Å; S694-N696 VanDerWaalsContact C-N 3.29Å; S694-N696 PolarHBondContact O-N 3.22Å
695S39.2Very low56.7Low108 Ų10899.4 Ų99.476%0.75556%0.561SS**  trans-76.261.7-176.4630000114.6
696N39.9Very low57.2Low147 Ų14797.2 Ų97.279%0.78656%0.557SS**  trans-163.4150.5162.1-98.7-44000112.1S694S694-N696 VanDerWaalsContact C-N 3.29Å; S694-N696 PolarHBondContact O-N 3.22Å
697S39.6Very low57.8Low112 Ų11295 Ų9578%0.78355%0.545SS*.  trans58.8110.1-176.766.30000115.1
698S34.2Very low58.6Low112 Ų11293.8 Ų93.878%0.78354%0.538SS*.  cis96.46344.9760000115.2
699S34.3Very low59.4Low110 Ų11091.8 Ų91.877%0.76953%0.531SS*.  trans-167.5129.8134.942.90000110.8I701S699-I701 PolarHBondContact O-N 2.9Å
700S35.9Very low60.5Low119 Ų11989.2 Ų89.283%0.83252%0.517SS*.  trans-89.481.8-174.256.50000111.7
701I48.9Very low61.8Low140 Ų14084 Ų8472%0.71850%0.495SS*.  trans-107115.1167.6-58.8176.2000107.2S699 P703S699-I701 PolarHBondContact O-N 2.9Å; I701-P703 WeakPolarHBondContact O-CD 3.28Å; I701-P703 VanDerWaalsContact O-N 3.16Å
702N54.9Low63Low93 Ų9380.7 Ų80.750%0.49747%0.473SS..  trans-64.8112.3171.1-71.9-9.7000108V704N702-V704 PolarHBondContact O-N 2.94Å
703P71.8Confident64.6Low44 Ų4472.4 Ų72.429%0.28644%0.438SS..  trans-68.3130.7-176.227.9-33.3000109.8I701 Y705 T809I701-P703 WeakPolarHBondContact O-CD 3.28Å; I701-P703 VanDerWaalsContact O-N 3.16Å; P703-Y705 HydrophobicContact CB-CD2 4.44Å; P703-Y705 HydrophobicContact CB-CE1 4.22Å; P703-Y705 HydrophobicContact CB-CE2 3.8Å; P703-Y705 HydrophobicContact CG-CE2 3.57Å; P703-Y705 WeakPolarHBondContact CG-OH 3.33Å; P703-T809 PolarHBondContact O-OG1 2.75Å
704V82Confident66.4Low78 Ų7867 Ų6747%0.47341%0.409SS..EExtended strand (participates in β ladder)trans-95.9116167.3-179.70000107.4N702 N807 I808 I852N702-V704 PolarHBondContact O-N 2.94Å; V704-N807 HydrophobicContact CG1-CB 4.06Å; V704-I808 WeakPolarHBondContact CA-O 3.45Å; V704-I852 HydrophobicContact CG1-CD1 4.07Å; V704-I852 HydrophobicContact CG2-CD1 3.86Å
705Y84.4Confident68.3Low25 Ų2566 Ų6610%0.09840%0.397CS..EExtended strand (participates in β ladder)trans-98.2120177.2-59-78.2000109.4I684 K687 P703 I808 I810I684-Y705 VanDerWaalsContact CD1-CB 3.5Å; I684-Y705 HydrophobicContact CD1-CD1 4.06Å; I684-Y705 HydrophobicContact CD1-CD2 4.13Å; I684-Y705 HydrophobicContact CD1-CG 3.65Å; I684-Y705 HydrophobicContact CG1-CD1 3.73Å; I684-Y705 HydrophobicContact CG1-CD2 4.33Å; I684-Y705 HydrophobicContact CG1-CE1 4.14Å; I684-Y705 HydrophobicContact CG1-CG 3.83Å; I684-Y705 HydrophobicContact CG2-CD2 4.02Å; I684-Y705 HydrophobicContact CG2-CE1 4.4Å; I684-Y705 HydrophobicContact CG2-CE2 3.84Å; I684-Y705 HydrophobicContact CG2-CG 4.36Å; K687-Y705 HydrophobicContact CD-CE1 4.13Å; P703-Y705 HydrophobicContact CB-CD2 4.44Å; P703-Y705 HydrophobicContact CB-CE1 4.22Å; P703-Y705 HydrophobicContact CB-CE2 3.8Å; P703-Y705 HydrophobicContact CG-CE2 3.57Å; P703-Y705 WeakPolarHBondContact CG-OH 3.33Å; Y705-I808 PolarHBondContact N-O 2.96Å; Y705-I808 PolarHBondContact O-N 2.95Å; Y705-I810 HydrophobicContact CD2-CD1 4.09Å; Y705-I810 HydrophobicContact CD2-CG1 4.27Å; Y705-I810 HydrophobicContact CE2-CD1 3.91Å; Y705-I810 HydrophobicContact CE2-CG1 4.18Å
706T87.1Confident70.5Confident40 Ų4062.9 Ų62.925%0.24538%0.376CS..EExtended strand (participates in β ladder)trans-87.7123.3168.4-56.10000109.1F678 C679 L805 F806 N807F678-T706 VanDerWaalsContact CA-O 3.26Å; F678-T706 WeakPolarHBondContact CA-O 3.46Å; F678-T706 WeakPolarHBondContact CB-O 3.46Å; C679-T706 PolarHBondContact N-O 3.5Å; T706-L805 HydrophobicContact CG2-CB 4.18Å; T706-L805 HydrophobicContact CG2-CD2 4.18Å; T706-F806 WeakPolarHBondContact CA-O 3.44Å; T706-N807 WeakPolarHBondContact CB-OD1 3.34Å; T706-N807 WeakPolarHBondContact CG2-OD1 3.35Å; T706-N807 PolarHBondContact OG1-OD1 2.88Å
707I86.8Confident72.7Confident0 Ų058.4 Ų58.40%036%0.356CS..EExtended strand (participates in β ladder)trans-122.8134.7-177.7-47.9-172.9000108.9I681 I684 D734 L805 F806 I808I681-I707 HydrophobicContact CG1-CD1 3.73Å; I681-I707 HydrophobicContact CG1-CG2 3.86Å; I684-I707 HydrophobicContact CD1-CD1 3.27Å; I684-I707 HydrophobicContact CD1-CG1 3.84Å; I707-D734 HydrophobicContact CG2-CB 3.87Å; I707-L805 CarbonylContact O-C 3.07Å; I707-L805 WeakPolarHBondContact O-CA 3.34Å; I707-F806 PolarHBondContact N-O 2.93Å; I707-F806 PolarHBondContact O-N 2.96Å; I707-I808 HydrophobicContact CD1-CD1 3.53Å; I707-I808 HydrophobicContact CG1-CD1 4.12Å
708R87Confident75Confident68 Ų6853.3 Ų53.326%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-84.7121.3165.9-174-177-176.4-148.5-2.3109.1F416 N417 F678 D734 G804 L805 M857F416-R708 PolarHBondContact O-NH2 3.48Å; N417-R708 PolarHBondContact OD1-NH1 3Å; F678-R708 HydrophobicContact CB-CB 4.5Å; F678-R708 HydrophobicContact CD2-CB 3.96Å; F678-R708 HydrophobicContact CE2-CB 4.39Å; F678-R708 HydrophobicContact CG-CB 4.04Å; R708-D734 VanDerWaalsContact O-CB 3.28Å; R708-D734 WeakPolarHBondContact O-CB 3.24Å; R708-G804 WeakPolarHBondContact CA-O 3.49Å; R708-L805 HydrophobicContact CB-CD2 3.97Å; R708-L805 HydrophobicContact CG-CD2 4.42Å; R708-M857 VanDerWaalsContact CD-SD 3.57Å; R708-M857 HydrophobicContact CG-SD 3.72Å; R708-M857 PolarHBondContact NE-SD 3.2Å
709G87.2Confident77.3Confident12 Ų1252.3 Ų52.312%0.12430%0.303CS..EExtended strand (participates in β ladder)trans-162.1-170.7-176.100000115.7T733 G803 G804G709-T733 CarbonylContact C-O 3.54Å; G709-T733 WeakPolarHBondContact CA-O 3.43Å; G709-G803 CarbonylContact O-C 3.54Å; G709-G803 VanDerWaalsContact O-CA 3.28Å; G709-G803 WeakPolarHBondContact O-CA 3.48Å; G709-G804 PolarHBondContact N-O 2.97Å; G709-G804 PolarHBondContact O-N 3.41Å
710L88.6Confident79.6Confident42 Ų4247.5 Ų47.522%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-134.6139.2-179.6-175.970.7000109.7F416 I712 I732 T733F416-L710 HydrophobicContact CE1-CD1 4.25Å; F416-L710 HydrophobicContact CE1-CD2 4.15Å; F416-L710 HydrophobicContact CE2-CD2 4.06Å; F416-L710 HydrophobicContact CZ-CD2 3.79Å; L710-I712 HydrophobicContact CD2-CG2 4.34Å; L710-I712 HydrophobicContact CG-CG2 4.45Å; L710-I732 CarbonylContact O-C 3.53Å; L710-I732 VanDerWaalsContact O-CA 3.27Å; L710-I732 WeakPolarHBondContact O-CA 3.46Å; L710-T733 PolarHBondContact N-O 2.74Å; L710-T733 PolarHBondContact O-N 3.27Å
711L89.4Confident82Confident17 Ų1744.7 Ų44.79%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-72.6127.4166.6-176.5155000109.4L714 V730 L799 L802L711-L714 HydrophobicContact CD2-CD2 4.49Å; L711-V730 HydrophobicContact CD1-CB 3.98Å; L711-V730 HydrophobicContact CD1-CG1 3.95Å; L711-V730 HydrophobicContact CD1-CG2 4.17Å; L711-V730 HydrophobicContact CG-CB 4.39Å; L711-L799 HydrophobicContact CD1-CD2 4.12Å; L711-L802 HydrophobicContact CB-CB 4.2Å; L711-L802 HydrophobicContact CB-CD2 4.18Å; L711-L802 HydrophobicContact CD1-CD2 3.73Å; L711-L802 PolarHBondContact N-O 2.78Å
712I85Confident83.5Confident31 Ų3145.3 Ų45.316%0.15924%0.241CC..EExtended strand (participates in β ladder)trans-117-19.9-173.156.8163.3000115.2I408 L710 R731 T733 I738I408-I712 HydrophobicContact CD1-CB 3.67Å; I408-I712 HydrophobicContact CD1-CD1 4.28Å; I408-I712 HydrophobicContact CD1-CG2 4.14Å; L710-I712 HydrophobicContact CD2-CG2 4.34Å; L710-I712 HydrophobicContact CG-CG2 4.45Å; I712-R731 HydrophobicContact CD1-CG 3.82Å; I712-R731 HydrophobicContact CG1-CB 4.18Å; I712-R731 HydrophobicContact CG1-CG 3.78Å; I712-R731 VanDerWaalsContact CG1-O 3.3Å; I712-R731 WeakPolarHBondContact CG1-O 3.49Å; I712-R731 PolarHBondContact N-O 3.18Å; I712-T733 HydrophobicContact CD1-CG2 4.31Å; I712-T733 HydrophobicContact CG2-CG2 3.58Å; I712-I738 HydrophobicContact CD1-CG2 3.88Å
713S85.2Confident84.8Confident6 Ų641.7 Ų41.74%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-165.3152.8165.659.40000111.8R731S713-R731 PolarHBondContact N-O 2.82Å; S713-R731 PolarHBondContact O-N 2.84Å
714L87.3Confident85.4Confident29 Ų2944.8 Ų44.815%0.15224%0.244CC..EExtended strand (participates in β ladder)trans-71.4155.2159.9-52.7-178.5000109.8M395 L399 L711 L728 V730 L799M395-L714 HydrophobicContact CB-CD1 4.31Å; L399-L714 HydrophobicContact CD1-CD1 3.83Å; L399-L714 HydrophobicContact CD1-CG 3.63Å; L711-L714 HydrophobicContact CD2-CD2 4.49Å; L714-L728 HydrophobicContact CD1-CD1 4.45Å; L714-L728 HydrophobicContact CD2-CD1 4.23Å; L714-L728 HydrophobicContact CD2-CD2 4.09Å; L714-L728 HydrophobicContact CD2-CG 4.37Å; L714-V730 HydrophobicContact CD2-CG1 3.64Å; L714-L799 HydrophobicContact CD2-CD1 4.3Å
715L84.9Confident85.7Confident52 Ų5246 Ų4627%0.27224%0.243SC..SBendtrans-124.3-7.9177.3-59.5176.3000112.4A729 V730 R731 D740L715-A729 HydrophobicContact CB-CB 3.76Å; L715-A729 PolarHBondContact N-O 2.84Å; L715-V730 WeakPolarHBondContact CD1-O 3.31Å; L715-R731 HydrophobicContact CD1-CB 4.11Å; L715-R731 HydrophobicContact CD2-CB 4.14Å; L715-R731 HydrophobicContact CG-CB 4.15Å; L715-D740 HydrophobicContact CD1-CB 3.68Å; L715-D740 VanDerWaalsContact CD1-CG 3.5Å; L715-D740 WeakPolarHBondContact CD1-OD2 3.38Å
716S86.6Confident86Confident43 Ų4345 Ų4530%0.30124%0.239SC..SBendtrans-142.4170.816971.40000109.8A729S716-A729 PolarHBondContact N-O 2.82Å; S716-A729 PolarHBondContact OG-N 3.27Å
717S84.9Confident86.1Confident53 Ų5344.7 Ų44.737%0.37124%0.237SC..  trans-67.5165.7157.8-67.10000110.6A392A392-S717 VanDerWaalsContact CB-OG 3.3Å; A392-S717 WeakPolarHBondContact CB-OG 3.48Å
718L87.7Confident86.3Confident6 Ų644.8 Ų44.83%0.03124%0.238CC..  trans-81.5119.5165.7178.471.3000108.7M395 W726 L728 L748 I752 L792 F795M395-L718 HydrophobicContact CE-CB 4.31Å; L718-W726 HydrophobicContact CD1-CD2 4.5Å; L718-W726 HydrophobicContact CD1-CE3 3.74Å; L718-W726 HydrophobicContact CD1-CZ3 4.21Å; L718-W726 HydrophobicContact CD2-CE3 4.1Å; L718-W726 HydrophobicContact CD2-CH2 4.41Å; L718-W726 HydrophobicContact CD2-CZ3 3.7Å; L718-W726 HydrophobicContact CG-CE3 3.83Å; L718-W726 HydrophobicContact CG-CZ3 3.8Å; L718-L728 HydrophobicContact CB-CD1 4.22Å; L718-L728 HydrophobicContact CD1-CB 4.12Å; L718-L748 HydrophobicContact CD1-CD1 4.43Å; L718-L748 HydrophobicContact CD1-CD2 4.46Å; L718-I752 HydrophobicContact CD1-CD1 4.12Å; L718-I752 HydrophobicContact CD2-CD1 3.89Å; L718-L792 HydrophobicContact CD2-CD2 3.86Å; L718-F795 HydrophobicContact CD1-CE1 4.3Å; L718-F795 HydrophobicContact CD2-CD1 4.16Å; L718-F795 HydrophobicContact CD2-CE1 3.89Å
719E84.4Confident86.4Confident91 Ų9141.9 Ų41.943%0.42523%0.228SC..BIsolated β-bridgetrans-119.3146.3177.1-63.7172.1-151.800110.5H721 W726 T727E719-H721 IonicContact OE2-CE1 3.74Å; E719-H721 PolarHBondContact OE2-CE1 3.46Å; E719-H721 IonicContact OE2-ND1 2.7Å; E719-H721 IonicContact OE2-NE2 2.71Å; E719-W726 CarbonylContact O-C 3.57Å; E719-W726 WeakPolarHBondContact O-CA 3.39Å; E719-T727 PolarHBondContact N-O 3.49Å; E719-T727 VanDerWaalsContact N-O 3.07Å; E719-T727 PolarHBondContact O-N 2.93Å
720H81.9Confident86.6Confident8 Ų841.4 Ų41.44%0.03722%0.223CC..  trans-115.21.817970.4-50.4000113.9H722 G723 T724 K725 W726 E760H720-H722 PolarHBondContact O-N 2.92Å; H720-G723 WeakPolarHBondContact O-CA 3.43Å; H720-G723 PolarHBondContact O-N 2.98Å; H720-T724 PolarHBondContact O-N 2.85Å; H720-K725 CarbonylContact C-O 3.59Å; H720-K725 VanDerWaalsContact CA-O 3.23Å; H720-K725 WeakPolarHBondContact CA-O 3.41Å; H720-K725 VanDerWaalsContact O-O 3.06Å; H720-W726 HydrophobicContact CB-CD2 4.26Å; H720-W726 HydrophobicContact CB-CE3 3.63Å; H720-W726 HydrophobicContact CB-CH2 4.12Å; H720-W726 HydrophobicContact CB-CZ3 3.57Å; H720-E760 IonicContact CD2-OE2 3.42Å; H720-E760 IonicContact CE1-OE2 2.72Å; H720-E760 IonicContact NE2-OE2 3.88Å; H720-E760 PolarHBondContact NE2-OE2 2.87Å
721H86Confident86.5Confident61 Ų6142.6 Ų42.628%0.28222%0.224SC..G310 helixtrans3962.9176.1-57.2-72.7000114.3E719 G723 T724 K725 T727E719-H721 IonicContact OE2-CE1 3.74Å; E719-H721 PolarHBondContact OE2-CE1 3.46Å; E719-H721 IonicContact OE2-ND1 2.7Å; E719-H721 IonicContact OE2-NE2 2.71Å; H721-G723 PolarHBondContact O-N 3.26Å; H721-G723 VanDerWaalsContact O-N 3.16Å; H721-T724 WeakPolarHBondContact CB-OG1 3.5Å; H721-T724 WeakPolarHBondContact O-CB 3.48Å; H721-T724 WeakPolarHBondContact O-CG2 3.48Å; H721-T724 PolarHBondContact O-N 3.31Å; H721-T724 VanDerWaalsContact O-N 3.08Å; H721-T724 PolarHBondContact O-OG1 3.37Å; H721-K725 WeakPolarHBondContact CD2-CE 3.44Å; H721-K725 WeakPolarHBondContact NE2-CE 3.42Å; H721-T727 VanDerWaalsContact NE2-CG2 3.3Å; H721-T727 WeakPolarHBondContact NE2-CG2 3.34Å; H721-T727 PolarHBondContact NE2-OG1 3.5Å
722H81.3Confident86.6Confident153 Ų15341.9 Ų41.971%0.70822%0.22SC*.G310 helixtrans53.433.7-179-53.3-66.9000114.1H720 E760H720-H722 PolarHBondContact O-N 2.92Å; H722-E760 IonicContact ND1-OE1 3.78Å
723G81.2Confident86.8Confident16 Ų1640.9 Ų40.917%0.16522%0.216CC..G310 helixtrans78.915.6179.300000115.6H720 H721 P756 S757H720-G723 WeakPolarHBondContact O-CA 3.43Å; H720-G723 PolarHBondContact O-N 2.98Å; H721-G723 PolarHBondContact O-N 3.26Å; H721-G723 VanDerWaalsContact O-N 3.16Å; G723-P756 VanDerWaalsContact CA-C 3.44Å; G723-P756 VanDerWaalsContact CA-O 3.26Å; G723-P756 WeakPolarHBondContact CA-O 3.41Å; G723-S757 PolarHBondContact O-N 3.4Å
724T84.8Confident86.9Confident110 Ų11041.3 Ų41.368%0.67522%0.218SC*.THydrogen-bonded Turntrans-87.7-39.818059.90000114.1H720 H721H720-T724 PolarHBondContact O-N 2.85Å; H721-T724 WeakPolarHBondContact CB-OG1 3.5Å; H721-T724 WeakPolarHBondContact O-CB 3.48Å; H721-T724 WeakPolarHBondContact O-CG2 3.48Å; H721-T724 PolarHBondContact O-N 3.31Å; H721-T724 VanDerWaalsContact O-N 3.08Å; H721-T724 PolarHBondContact O-OG1 3.37Å
725K88.8Confident86.6Confident102 Ų10241.1 Ų41.144%0.44322%0.223SC..  trans-160.5150.5178.668.4-179.5-178.61660110H720 H721 T727H720-K725 CarbonylContact C-O 3.59Å; H720-K725 VanDerWaalsContact CA-O 3.23Å; H720-K725 WeakPolarHBondContact CA-O 3.41Å; H720-K725 VanDerWaalsContact O-O 3.06Å; H721-K725 WeakPolarHBondContact CD2-CE 3.44Å; H721-K725 WeakPolarHBondContact NE2-CE 3.42Å; K725-T727 HydrophobicContact CD-CG2 4Å; K725-T727 HydrophobicContact CG-CG2 4.21Å
726W89.3Confident86.2Confident4 Ų440.2 Ų40.22%0.01522%0.221CC..  trans-81.2143.1162.5-69.7118.1000109.8L718 E719 H720 S745 L748 I752 L754 P756 S759L718-W726 HydrophobicContact CD1-CD2 4.5Å; L718-W726 HydrophobicContact CD1-CE3 3.74Å; L718-W726 HydrophobicContact CD1-CZ3 4.21Å; L718-W726 HydrophobicContact CD2-CE3 4.1Å; L718-W726 HydrophobicContact CD2-CH2 4.41Å; L718-W726 HydrophobicContact CD2-CZ3 3.7Å; L718-W726 HydrophobicContact CG-CE3 3.83Å; L718-W726 HydrophobicContact CG-CZ3 3.8Å; E719-W726 CarbonylContact O-C 3.57Å; E719-W726 WeakPolarHBondContact O-CA 3.39Å; H720-W726 HydrophobicContact CB-CD2 4.26Å; H720-W726 HydrophobicContact CB-CE3 3.63Å; H720-W726 HydrophobicContact CB-CH2 4.12Å; H720-W726 HydrophobicContact CB-CZ3 3.57Å; W726-S745 PolarHBondContact N-OG 3.47Å; W726-S745 WeakPolarHBondContact O-CB 3.38Å; W726-L748 HydrophobicContact CB-CB 3.62Å; W726-L748 HydrophobicContact CB-CD1 3.59Å; W726-L748 HydrophobicContact CB-CG 4.24Å; W726-L748 HydrophobicContact CG-CB 3.99Å; W726-I752 HydrophobicContact CD2-CD1 3.69Å; W726-I752 HydrophobicContact CE3-CD1 3.97Å; W726-I752 HydrophobicContact CG-CD1 4.19Å; W726-I752 HydrophobicContact CH2-CD1 4.04Å; W726-I752 HydrophobicContact CH2-CG2 4.5Å; W726-I752 HydrophobicContact CZ2-CD1 3.77Å; W726-I752 HydrophobicContact CZ2-CG2 4.02Å; W726-I752 HydrophobicContact CZ3-CD1 4.12Å; W726-L754 PolarHBondContact NE1-O 3.4Å; W726-P756 HydrophobicContact CD2-CG 4.42Å; W726-P756 HydrophobicContact CG-CG 3.88Å; W726-S759 WeakPolarHBondContact CH2-OG 3.43Å
727T89.2Confident85.8Confident35 Ų3538.6 Ų38.622%0.21521%0.21CC..BIsolated β-bridgetrans-133.5137.2166.852.90000110.6E719 H721 K725E719-T727 PolarHBondContact N-O 3.49Å; E719-T727 VanDerWaalsContact N-O 3.07Å; E719-T727 PolarHBondContact O-N 2.93Å; H721-T727 VanDerWaalsContact NE2-CG2 3.3Å; H721-T727 WeakPolarHBondContact NE2-CG2 3.34Å; H721-T727 PolarHBondContact NE2-OG1 3.5Å; K725-T727 HydrophobicContact CD-CG2 4Å; K725-T727 HydrophobicContact CG-CG2 4.21Å
728L91.3Very high85.9Confident2 Ų240 Ų401%0.0121%0.212CC..  trans-153.1120.6172-174.766.2000108L714 L718 V730 V743 L748 F795 L799L714-L728 HydrophobicContact CD1-CD1 4.45Å; L714-L728 HydrophobicContact CD2-CD1 4.23Å; L714-L728 HydrophobicContact CD2-CD2 4.09Å; L714-L728 HydrophobicContact CD2-CG 4.37Å; L718-L728 HydrophobicContact CB-CD1 4.22Å; L718-L728 HydrophobicContact CD1-CB 4.12Å; L728-V730 HydrophobicContact CD2-CG1 3.9Å; L728-V730 HydrophobicContact CG-CG1 3.81Å; L728-V743 WeakPolarHBondContact O-CG2 3.39Å; L728-V743 PolarHBondContact O-N 3.5Å; L728-L748 HydrophobicContact CB-CD1 3.81Å; L728-L748 HydrophobicContact CB-CD2 3.94Å; L728-L748 HydrophobicContact CD2-CD2 3.97Å; L728-F795 HydrophobicContact CD2-CE1 4.35Å; L728-F795 HydrophobicContact CD2-CZ 4.03Å; L728-L799 HydrophobicContact CD2-CD1 4.15Å
729A90.4Very high85.8Confident7 Ų740 Ų406%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-90135.9169.500000109.9L715 S716 L741 D742L715-A729 HydrophobicContact CB-CB 3.76Å; L715-A729 PolarHBondContact N-O 2.84Å; S716-A729 PolarHBondContact N-O 2.82Å; S716-A729 PolarHBondContact OG-N 3.27Å; A729-L741 WeakPolarHBondContact CA-O 3.4Å; A729-D742 VanDerWaalsContact CB-OD1 3.31Å; A729-D742 WeakPolarHBondContact CB-OD1 3.44Å
730V89.8Confident86.1Confident1 Ų138 Ų381%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-138.8158.7-179.3-51.90000111.8L711 L714 L715 L728 I732 L741 V743L711-V730 HydrophobicContact CD1-CB 3.98Å; L711-V730 HydrophobicContact CD1-CG1 3.95Å; L711-V730 HydrophobicContact CD1-CG2 4.17Å; L711-V730 HydrophobicContact CG-CB 4.39Å; L714-V730 HydrophobicContact CD2-CG1 3.64Å; L715-V730 WeakPolarHBondContact CD1-O 3.31Å; L728-V730 HydrophobicContact CD2-CG1 3.9Å; L728-V730 HydrophobicContact CG-CG1 3.81Å; V730-I732 HydrophobicContact CG2-CG2 4.46Å; V730-L741 HydrophobicContact CG2-CD1 3.42Å; V730-L741 VanDerWaalsContact CG2-CD1 3.42Å; V730-L741 HydrophobicContact CG2-CG 4.09Å; V730-L741 PolarHBondContact N-O 3.5Å; V730-L741 PolarHBondContact O-N 2.75Å; V730-V743 HydrophobicContact CG1-CG2 3.98Å; V730-V743 HydrophobicContact CG2-CG2 3.76Å
731R88.3Confident86.5Confident68 Ų6837.6 Ų37.626%0.25720%0.203SC..EExtended strand (participates in β ladder)trans-112.3130.7172-176.8177.7-76.4139.86.3109.5I712 S713 L715 I738 L739 D740I712-R731 HydrophobicContact CD1-CG 3.82Å; I712-R731 HydrophobicContact CG1-CB 4.18Å; I712-R731 HydrophobicContact CG1-CG 3.78Å; I712-R731 VanDerWaalsContact CG1-O 3.3Å; I712-R731 WeakPolarHBondContact CG1-O 3.49Å; I712-R731 PolarHBondContact N-O 3.18Å; S713-R731 PolarHBondContact N-O 2.82Å; S713-R731 PolarHBondContact O-N 2.84Å; L715-R731 HydrophobicContact CD1-CB 4.11Å; L715-R731 HydrophobicContact CD2-CB 4.14Å; L715-R731 HydrophobicContact CG-CB 4.15Å; R731-I738 HydrophobicContact CG-CB 4.39Å; R731-L739 WeakPolarHBondContact CA-O 3.49Å; R731-D740 IonicContact CZ-OD1 3.85Å; R731-D740 IonicContact CZ-OD2 3.54Å; R731-D740 IonicContact NE-OD1 2.67Å; R731-D740 PolarHBondContact NE-OD1 2.85Å; R731-D740 IonicContact NE-OD2 3.67Å; R731-D740 VanDerWaalsContact NH2-CG 3.34Å; R731-D740 IonicContact NH2-OD1 3.46Å; R731-D740 PolarHBondContact NH2-OD1 3.17Å; R731-D740 VanDerWaalsContact NH2-OD1 3.13Å; R731-D740 IonicContact NH2-OD2 2.71Å; R731-D740 PolarHBondContact NH2-OD2 3.43Å
732I90Very high86.8Confident1 Ų137.5 Ų37.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-114.9164.9173.866.7160.4000111.7I681 L710 V730 I738 L739 L741 F806 I808I681-I732 HydrophobicContact CD1-CD1 4.36Å; I681-I732 HydrophobicContact CD1-CG1 4.35Å; L710-I732 CarbonylContact O-C 3.53Å; L710-I732 VanDerWaalsContact O-CA 3.27Å; L710-I732 WeakPolarHBondContact O-CA 3.46Å; V730-I732 HydrophobicContact CG2-CG2 4.46Å; I732-I738 WeakPolarHBondContact O-CA 3.41Å; I732-L739 HydrophobicContact CG1-CB 3.96Å; I732-L739 PolarHBondContact N-O 3.45Å; I732-L739 PolarHBondContact O-N 3.15Å; I732-L741 HydrophobicContact CD1-CD2 3.93Å; I732-L741 HydrophobicContact CG1-CD2 3.94Å; I732-L741 HydrophobicContact CG2-CD2 4.24Å; I732-F806 HydrophobicContact CD1-CD2 4.1Å; I732-F806 HydrophobicContact CG2-CD2 4.44Å; I732-F806 HydrophobicContact CG2-CE2 4.17Å; I732-F806 HydrophobicContact CG2-CZ 4.46Å; I732-I808 HydrophobicContact CD1-CD1 3.51Å
733T89.3Confident87.3Confident10 Ų1030.6 Ų30.66%0.06117%0.173CC..EExtended strand (participates in β ladder)trans-141.5151.7166-168.60000111.5V413 G709 L710 I712 G735 A737V413-T733 HydrophobicContact CG2-CG2 3.99Å; G709-T733 CarbonylContact C-O 3.54Å; G709-T733 WeakPolarHBondContact CA-O 3.43Å; L710-T733 PolarHBondContact N-O 2.74Å; L710-T733 PolarHBondContact O-N 3.27Å; I712-T733 HydrophobicContact CD1-CG2 4.31Å; I712-T733 HydrophobicContact CG2-CG2 3.58Å; T733-G735 PolarHBondContact OG1-N 3.28Å; T733-G735 VanDerWaalsContact OG1-N 3.17Å; T733-A737 WeakPolarHBondContact CB-O 3.42Å; T733-A737 PolarHBondContact OG1-O 3.5Å
734D86.9Confident87.8Confident15 Ų1530.9 Ų30.98%0.0817%0.174CC..  trans-109.4-5.5169.667.4-24.9000112.4Y680 I681 I707 R708 S736 A737Y680-D734 WeakPolarHBondContact CA-OD2 3.23Å; Y680-D734 VanDerWaalsContact CB-OD2 3.26Å; Y680-D734 WeakPolarHBondContact CB-OD2 3.46Å; Y680-D734 WeakPolarHBondContact CD1-OD2 3.18Å; I681-D734 HydrophobicContact CD1-CB 3.98Å; I681-D734 WeakPolarHBondContact CD1-OD1 3.39Å; I681-D734 HydrophobicContact CG1-CB 4.04Å; I681-D734 PolarHBondContact N-OD2 3.4Å; I707-D734 HydrophobicContact CG2-CB 3.87Å; R708-D734 VanDerWaalsContact O-CB 3.28Å; R708-D734 WeakPolarHBondContact O-CB 3.24Å; D734-S736 WeakPolarHBondContact OD1-CA 3.44Å; D734-S736 PolarHBondContact OD1-N 3.26Å; D734-S736 PolarHBondContact OD1-OG 2.95Å; D734-S736 WeakPolarHBondContact OD2-CB 3.35Å; D734-S736 PolarHBondContact OD2-OG 2.92Å; D734-A737 PolarHBondContact OD1-N 3.29Å
735G81.4Confident88.2Confident25 Ų2527 Ų2726%0.25815%0.151SC..SBendtrans92.7-13.2-171.700000115.4T733T733-G735 PolarHBondContact OG1-N 3.28Å; T733-G735 VanDerWaalsContact OG1-N 3.17Å
736S76.7Confident88.3Confident34 Ų3428.5 Ų28.524%0.23816%0.164CC..SBendtrans-84.3-50.9168.278.20000110.2R410 I681 Q682 D734R410-S736 PolarHBondContact NH2-O 2.89Å; I681-S736 PolarHBondContact N-OG 3.23Å; Q682-S736 PolarHBondContact N-OG 2.72Å; Q682-S736 VanDerWaalsContact N-OG 3.08Å; D734-S736 WeakPolarHBondContact OD1-CA 3.44Å; D734-S736 PolarHBondContact OD1-N 3.26Å; D734-S736 PolarHBondContact OD1-OG 2.95Å; D734-S736 WeakPolarHBondContact OD2-CB 3.35Å; D734-S736 PolarHBondContact OD2-OG 2.92Å
737A77.8Confident88.4Confident8 Ų828.7 Ų28.77%0.06617%0.165CC..  trans-145-172.4-177.600000111.5I681 Y685 T733 D734I681-A737 HydrophobicContact CB-CB 4.03Å; I681-A737 HydrophobicContact CG2-CB 3.8Å; Y685-A737 HydrophobicContact CD2-CB 4.4Å; Y685-A737 HydrophobicContact CE2-CB 4.04Å; T733-A737 WeakPolarHBondContact CB-O 3.42Å; T733-A737 PolarHBondContact OG1-O 3.5Å; D734-A737 PolarHBondContact OD1-N 3.29Å
738I87Confident88.6Confident82 Ų8227 Ų2742%0.42116%0.155SC..EExtended strand (participates in β ladder)trans-119.2151.517258.6174.4000108.4Y685 I712 R731 I732Y685-I738 PolarHBondContact OH-O 2.99Å; Y685-I738 VanDerWaalsContact OH-O 3.09Å; I712-I738 HydrophobicContact CD1-CG2 3.88Å; R731-I738 HydrophobicContact CG-CB 4.39Å; I732-I738 WeakPolarHBondContact O-CA 3.41Å
739L86.3Confident88.6Confident7 Ų728.5 Ų28.54%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-134.3123175.2-164.466.6000109.8I681 Y685 R731 I732 L741 I808 P849I681-L739 HydrophobicContact CD1-CB 4.13Å; I681-L739 HydrophobicContact CG2-CB 4.09Å; I681-L739 HydrophobicContact CG2-CD1 4.35Å; Y685-L739 HydrophobicContact CE1-CD1 4.35Å; Y685-L739 WeakPolarHBondContact OH-CD1 3.35Å; R731-L739 WeakPolarHBondContact CA-O 3.49Å; I732-L739 HydrophobicContact CG1-CB 3.96Å; I732-L739 PolarHBondContact N-O 3.45Å; I732-L739 PolarHBondContact O-N 3.15Å; L739-L741 HydrophobicContact CD2-CD2 4.49Å; L739-I808 HydrophobicContact CD2-CD1 4Å; L739-I808 HydrophobicContact CD2-CG2 4.2Å; L739-P849 HydrophobicContact CD1-CG 4.04Å; L739-P849 HydrophobicContact CD2-CB 4.24Å; L739-P849 HydrophobicContact CD2-CG 4.24Å; L739-P849 HydrophobicContact CG-CG 4.23Å
740D91.1Very high88.6Confident48 Ų4834.8 Ų34.826%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-87123.5169.6-71.325.1000107.5L715 R731L715-D740 HydrophobicContact CD1-CB 3.68Å; L715-D740 VanDerWaalsContact CD1-CG 3.5Å; L715-D740 WeakPolarHBondContact CD1-OD2 3.38Å; R731-D740 IonicContact CZ-OD1 3.85Å; R731-D740 IonicContact CZ-OD2 3.54Å; R731-D740 IonicContact NE-OD1 2.67Å; R731-D740 PolarHBondContact NE-OD1 2.85Å; R731-D740 IonicContact NE-OD2 3.67Å; R731-D740 VanDerWaalsContact NH2-CG 3.34Å; R731-D740 IonicContact NH2-OD1 3.46Å; R731-D740 PolarHBondContact NH2-OD1 3.17Å; R731-D740 VanDerWaalsContact NH2-OD1 3.13Å; R731-D740 IonicContact NH2-OD2 2.71Å; R731-D740 PolarHBondContact NH2-OD2 3.43Å
741L90.7Very high88.6Confident0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-143.2162.8-174.266.377.1000111A729 V730 I732 L739 V743 I808 P849 L851A729-L741 WeakPolarHBondContact CA-O 3.4Å; V730-L741 HydrophobicContact CG2-CD1 3.42Å; V730-L741 VanDerWaalsContact CG2-CD1 3.42Å; V730-L741 HydrophobicContact CG2-CG 4.09Å; V730-L741 PolarHBondContact N-O 3.5Å; V730-L741 PolarHBondContact O-N 2.75Å; I732-L741 HydrophobicContact CD1-CD2 3.93Å; I732-L741 HydrophobicContact CG1-CD2 3.94Å; I732-L741 HydrophobicContact CG2-CD2 4.24Å; L739-L741 HydrophobicContact CD2-CD2 4.49Å; L741-V743 HydrophobicContact CD1-CG2 4.16Å; L741-I808 HydrophobicContact CD2-CD1 3.85Å; L741-I808 HydrophobicContact CD2-CG1 4.13Å; L741-P849 VanDerWaalsContact CA-O 3.29Å; L741-P849 WeakPolarHBondContact CA-O 3.16Å; L741-P849 HydrophobicContact CB-CB 4.15Å; L741-P849 VanDerWaalsContact CB-O 3.29Å; L741-P849 WeakPolarHBondContact CB-O 3.45Å; L741-L851 HydrophobicContact CD1-CB 3.47Å; L741-L851 VanDerWaalsContact CD1-CB 3.47Å; L741-L851 HydrophobicContact CD1-CD2 4.37Å; L741-L851 HydrophobicContact CD2-CB 4.13Å; L741-L851 HydrophobicContact CG-CB 4.44Å
742D91.2Very high88.7Confident60 Ų6033.2 Ų33.232%0.32119%0.187SC..EExtended strand (participates in β ladder)trans-108.3138.7172.7-55.5-31.5000109.3A729 R848 P849 I850 L851A729-D742 VanDerWaalsContact CB-OD1 3.31Å; A729-D742 WeakPolarHBondContact CB-OD1 3.44Å; D742-R848 WeakPolarHBondContact OD1-CD 3.39Å; D742-R848 IonicContact OD1-CZ 3.74Å; D742-R848 IonicContact OD1-NH1 2.79Å; D742-R848 PolarHBondContact OD1-NH1 2.82Å; D742-R848 WeakPolarHBondContact OD2-CD 3.47Å; D742-P849 PolarHBondContact N-O 3.46Å; D742-I850 CarbonylContact O-C 3.52Å; D742-I850 VanDerWaalsContact O-CA 3.31Å; D742-I850 WeakPolarHBondContact O-CA 3.11Å; D742-L851 PolarHBondContact O-N 2.74Å
743V92.2Very high88.7Confident8 Ų835.9 Ų35.95%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-87.2133.3-178-170.30000110.1L728 V730 L741 L747 L748 W751 L851L728-V743 WeakPolarHBondContact O-CG2 3.39Å; L728-V743 PolarHBondContact O-N 3.5Å; V730-V743 HydrophobicContact CG1-CG2 3.98Å; V730-V743 HydrophobicContact CG2-CG2 3.76Å; L741-V743 HydrophobicContact CD1-CG2 4.16Å; V743-L747 HydrophobicContact CG1-CB 4.3Å; V743-L747 HydrophobicContact CG1-CD2 4.02Å; V743-L747 HydrophobicContact CG1-CG 4.31Å; V743-L748 HydrophobicContact CB-CD1 4.14Å; V743-L748 HydrophobicContact CB-CD2 4.01Å; V743-L748 HydrophobicContact CB-CG 3.99Å; V743-L748 HydrophobicContact CG1-CD1 4.4Å; V743-L748 HydrophobicContact CG1-CD2 3.76Å; V743-L748 HydrophobicContact CG1-CG 3.71Å; V743-W751 HydrophobicContact CG1-CE3 4.35Å; V743-W751 HydrophobicContact CG1-CH2 4.19Å; V743-W751 HydrophobicContact CG1-CZ3 3.74Å; V743-W751 HydrophobicContact CG2-CZ3 4.49Å; V743-L851 HydrophobicContact CG1-CD2 4.37Å; V743-L851 HydrophobicContact CG2-CD2 4.34Å
744A92.5Very high88.6Confident21 Ų2135.5 Ų35.517%0.17421%0.212CC..  trans-61.7139.4177.800000112.3D746 L747 L748 I850 L851A744-D746 PolarHBondContact O-N 3.46Å; A744-L747 HydrophobicContact CB-CB 4.37Å; A744-L747 PolarHBondContact O-N 3.46Å; A744-L747 VanDerWaalsContact O-N 3.09Å; A744-L748 PolarHBondContact O-N 3.27Å; A744-I850 HydrophobicContact CB-CG2 4.15Å; A744-L851 VanDerWaalsContact CB-O 3.31Å; A744-L851 WeakPolarHBondContact CB-O 3.24Å; A744-L851 PolarHBondContact N-O 2.71Å
745S91.8Very high88.8Confident29 Ų2937.4 Ų37.420%0.20322%0.224CC..Hα-helixtrans-58.3-31.7-179-178.90000113.2W726 T749W726-S745 PolarHBondContact N-OG 3.47Å; W726-S745 WeakPolarHBondContact O-CB 3.38Å; S745-T749 WeakPolarHBondContact O-CB 3.25Å; S745-T749 PolarHBondContact O-N 3.48Å; S745-T749 PolarHBondContact O-OG1 2.99Å
746D90.9Very high89.1Confident134 Ų13436.8 Ų36.872%0.71722%0.216SC*.Hα-helixtrans-71.1-40.2178.9-52.3-35.7000111A744 T749 E750A744-D746 PolarHBondContact O-N 3.46Å; D746-T749 WeakPolarHBondContact O-CB 3.34Å; D746-T749 PolarHBondContact O-N 3.19Å; D746-E750 PolarHBondContact O-N 2.96Å
747L91.9Very high89.6Confident8 Ų838.6 Ų38.64%0.04223%0.228CC..Hα-helixtrans-70.3-36.5176.4-172.762.9000111.7V743 A744 T749 E750 W751 L851V743-L747 HydrophobicContact CG1-CB 4.3Å; V743-L747 HydrophobicContact CG1-CD2 4.02Å; V743-L747 HydrophobicContact CG1-CG 4.31Å; A744-L747 HydrophobicContact CB-CB 4.37Å; A744-L747 PolarHBondContact O-N 3.46Å; A744-L747 VanDerWaalsContact O-N 3.09Å; L747-T749 VanDerWaalsContact C-N 3.34Å; L747-E750 PolarHBondContact O-N 3.44Å; L747-W751 HydrophobicContact CD1-CD2 4.43Å; L747-W751 HydrophobicContact CD1-CZ2 3.9Å; L747-W751 HydrophobicContact CD2-CH2 3.88Å; L747-W751 HydrophobicContact CD2-CZ2 3.63Å; L747-W751 HydrophobicContact CG-CD2 4.07Å; L747-W751 HydrophobicContact CG-CE3 4.46Å; L747-W751 HydrophobicContact CG-CH2 4.11Å; L747-W751 HydrophobicContact CG-CZ2 3.62Å; L747-W751 HydrophobicContact CG-CZ3 4.49Å; L747-W751 WeakPolarHBondContact O-CB 3.49Å; L747-W751 PolarHBondContact O-N 2.79Å; L747-L851 HydrophobicContact CD2-CD2 4.05Å; L747-L851 HydrophobicContact CD2-CG 3.81Å
748L92.3Very high90.1Very high0 Ų041.3 Ų41.30%024%0.24CC..Hα-helixtrans-64.6-38.7169.4-68.2171.9000111.6L718 W726 L728 V743 A744 W751 I752 F795L718-L748 HydrophobicContact CD1-CD1 4.43Å; L718-L748 HydrophobicContact CD1-CD2 4.46Å; W726-L748 HydrophobicContact CB-CB 3.62Å; W726-L748 HydrophobicContact CB-CD1 3.59Å; W726-L748 HydrophobicContact CB-CG 4.24Å; W726-L748 HydrophobicContact CG-CB 3.99Å; L728-L748 HydrophobicContact CB-CD1 3.81Å; L728-L748 HydrophobicContact CB-CD2 3.94Å; L728-L748 HydrophobicContact CD2-CD2 3.97Å; V743-L748 HydrophobicContact CB-CD1 4.14Å; V743-L748 HydrophobicContact CB-CD2 4.01Å; V743-L748 HydrophobicContact CB-CG 3.99Å; V743-L748 HydrophobicContact CG1-CD1 4.4Å; V743-L748 HydrophobicContact CG1-CD2 3.76Å; V743-L748 HydrophobicContact CG1-CG 3.71Å; A744-L748 PolarHBondContact O-N 3.27Å; L748-W751 HydrophobicContact CD2-CE3 4.13Å; L748-W751 HydrophobicContact CD2-CZ3 4.48Å; L748-W751 PolarHBondContact O-N 3.13Å; L748-I752 HydrophobicContact CB-CD1 4.33Å; L748-I752 VanDerWaalsContact O-CB 3.31Å; L748-I752 WeakPolarHBondContact O-CB 3.48Å; L748-I752 WeakPolarHBondContact O-CD1 3.26Å; L748-I752 WeakPolarHBondContact O-CG1 3.45Å; L748-I752 PolarHBondContact O-N 2.67Å; L748-F795 HydrophobicContact CD2-CE2 4.35Å; L748-F795 HydrophobicContact CD2-CZ 3.83Å
749T91.7Very high90.1Very high33 Ų3337.5 Ų37.520%0.20222%0.221CC..Hα-helixtrans-62.2-44.1174.8-60.50000111.5S745 D746 L747 G753 T755S745-T749 WeakPolarHBondContact O-CB 3.25Å; S745-T749 PolarHBondContact O-N 3.48Å; S745-T749 PolarHBondContact O-OG1 2.99Å; D746-T749 WeakPolarHBondContact O-CB 3.34Å; D746-T749 PolarHBondContact O-N 3.19Å; L747-T749 VanDerWaalsContact C-N 3.34Å; T749-G753 PolarHBondContact O-N 2.99Å; T749-T755 HydrophobicContact CG2-CG2 3.85Å
750E90.4Very high90Very high139 Ų13938.8 Ų38.865%0.6523%0.226SC*.Hα-helixtrans-58.7-48.9174.5-173.3-172.6154.700111.5D746 L747D746-E750 PolarHBondContact O-N 2.96Å; L747-E750 PolarHBondContact O-N 3.44Å
751W90.3Very high89.8Confident27 Ų2739.2 Ų39.210%0.10223%0.233CC..Hα-helixtrans-73-31.2-176.4-63.8-14000114.7V743 L747 L748 F795 F798 L799 L802 L851 Y854V743-W751 HydrophobicContact CG1-CE3 4.35Å; V743-W751 HydrophobicContact CG1-CH2 4.19Å; V743-W751 HydrophobicContact CG1-CZ3 3.74Å; V743-W751 HydrophobicContact CG2-CZ3 4.49Å; L747-W751 HydrophobicContact CD1-CD2 4.43Å; L747-W751 HydrophobicContact CD1-CZ2 3.9Å; L747-W751 HydrophobicContact CD2-CH2 3.88Å; L747-W751 HydrophobicContact CD2-CZ2 3.63Å; L747-W751 HydrophobicContact CG-CD2 4.07Å; L747-W751 HydrophobicContact CG-CE3 4.46Å; L747-W751 HydrophobicContact CG-CH2 4.11Å; L747-W751 HydrophobicContact CG-CZ2 3.62Å; L747-W751 HydrophobicContact CG-CZ3 4.49Å; L747-W751 WeakPolarHBondContact O-CB 3.49Å; L747-W751 PolarHBondContact O-N 2.79Å; L748-W751 HydrophobicContact CD2-CE3 4.13Å; L748-W751 HydrophobicContact CD2-CZ3 4.48Å; L748-W751 PolarHBondContact O-N 3.13Å; W751-F795 HydrophobicContact CB-CD2 3.78Å; W751-F795 HydrophobicContact CB-CE2 3.62Å; W751-F795 AromaticContact CE3-CE2 3.95Å; W751-F795 HydrophobicContact CE3-CE2 3.95Å; W751-F795 HydrophobicContact CG-CE2 4.48Å; W751-F798 HydrophobicContact CB-CD1 4.27Å; W751-F798 HydrophobicContact CB-CE1 4.03Å; W751-F798 AromaticContact CD1-CE1 3.63Å; W751-F798 AromaticContact CD1-CZ 3.99Å; W751-F798 HydrophobicContact CD2-CD1 4.5Å; W751-F798 AromaticContact CD2-CE1 3.68Å; W751-F798 HydrophobicContact CD2-CE1 3.68Å; W751-F798 AromaticContact CE2-CE1 3.78Å; W751-F798 HydrophobicContact CE3-CE1 4.37Å; W751-F798 HydrophobicContact CG-CD1 4.24Å; W751-F798 AromaticContact CG-CE1 3.53Å; W751-F798 HydrophobicContact CG-CE1 3.53Å; W751-F798 HydrophobicContact CG-CZ 4.33Å; W751-F798 HydrophobicContact CZ2-CE1 4.48Å; W751-F798 AromaticContact NE1-CE1 3.79Å; W751-F798 AromaticContact NE1-CZ 3.96Å; W751-L799 HydrophobicContact CE3-CD2 4.46Å; W751-L799 HydrophobicContact CZ3-CD2 4.35Å; W751-L802 HydrophobicContact CH2-CD2 3.68Å; W751-L802 HydrophobicContact CZ2-CD1 4.31Å; W751-L802 HydrophobicContact CZ2-CD2 4.26Å; W751-L802 HydrophobicContact CZ3-CD2 4.09Å; W751-L851 HydrophobicContact CH2-CD2 3.71Å; W751-L851 HydrophobicContact CZ2-CD2 4.45Å; W751-Y854 HydrophobicContact CZ2-CD1 4.46Å; W751-Y854 HydrophobicContact CZ2-CG 4.1Å
752I90.9Very high89.5Confident8 Ų839.5 Ų39.54%0.04124%0.235CC..Hα-helixtrans-84.8-26.7178.3-63.3163.9000110.9L718 W726 L748 L754 A791 F795L718-I752 HydrophobicContact CD1-CD1 4.12Å; L718-I752 HydrophobicContact CD2-CD1 3.89Å; W726-I752 HydrophobicContact CD2-CD1 3.69Å; W726-I752 HydrophobicContact CE3-CD1 3.97Å; W726-I752 HydrophobicContact CG-CD1 4.19Å; W726-I752 HydrophobicContact CH2-CD1 4.04Å; W726-I752 HydrophobicContact CH2-CG2 4.5Å; W726-I752 HydrophobicContact CZ2-CD1 3.77Å; W726-I752 HydrophobicContact CZ2-CG2 4.02Å; W726-I752 HydrophobicContact CZ3-CD1 4.12Å; L748-I752 HydrophobicContact CB-CD1 4.33Å; L748-I752 VanDerWaalsContact O-CB 3.31Å; L748-I752 WeakPolarHBondContact O-CB 3.48Å; L748-I752 WeakPolarHBondContact O-CD1 3.26Å; L748-I752 WeakPolarHBondContact O-CG1 3.45Å; L748-I752 PolarHBondContact O-N 2.67Å; I752-L754 HydrophobicContact CG2-CB 4.06Å; I752-L754 HydrophobicContact CG2-CG 4.44Å; I752-L754 PolarHBondContact O-N 3.46Å; I752-A791 HydrophobicContact CG2-CB 4.38Å; I752-F795 HydrophobicContact CD1-CD1 4.43Å; I752-F795 HydrophobicContact CD1-CE1 4.31Å; I752-F795 HydrophobicContact CD1-CZ 4.35Å; I752-F795 HydrophobicContact CG1-CB 4.15Å; I752-F795 HydrophobicContact CG1-CD1 3.9Å; I752-F795 HydrophobicContact CG1-CD2 3.57Å; I752-F795 HydrophobicContact CG1-CE1 4.15Å; I752-F795 HydrophobicContact CG1-CE2 3.85Å; I752-F795 HydrophobicContact CG1-CG 3.6Å; I752-F795 HydrophobicContact CG1-CZ 4.11Å
753G89.5Confident89.2Confident57 Ų5737.9 Ų37.959%0.58822%0.224SC*.THydrogen-bonded Turntrans70.519.3-173.500000113.7T749T749-G753 PolarHBondContact O-N 2.99Å
754L88.1Confident88.8Confident3 Ų342.6 Ų42.62%0.01625%0.248CC..SBendtrans-141.2133.1175.3-63.6175000109.7W726 I752 E758 L762 L788 A791W726-L754 PolarHBondContact NE1-O 3.4Å; I752-L754 HydrophobicContact CG2-CB 4.06Å; I752-L754 HydrophobicContact CG2-CG 4.44Å; I752-L754 PolarHBondContact O-N 3.46Å; L754-E758 HydrophobicContact CD2-CB 4.4Å; L754-L762 HydrophobicContact CD1-CD1 3.99Å; L754-L762 HydrophobicContact CD2-CD1 4.03Å; L754-L788 HydrophobicContact CD1-CD1 3.92Å; L754-A791 HydrophobicContact CD1-CB 3.54Å; L754-A791 HydrophobicContact CG-CB 4.03Å
755T90.1Very high88.2Confident54 Ų5446.3 Ų46.333%0.33126%0.264SS..  trans-66156.6166.258.40000110.9T749 S757 E758 S759T749-T755 HydrophobicContact CG2-CG2 3.85Å; T755-S757 PolarHBondContact O-N 3.47Å; T755-E758 PolarHBondContact N-OE2 3.49Å; T755-E758 PolarHBondContact O-N 3.08Å; T755-E758 WeakPolarHBondContact OG1-CB 3.47Å; T755-E758 VanDerWaalsContact OG1-CG 3.23Å; T755-E758 WeakPolarHBondContact OG1-CG 3.47Å; T755-E758 PolarHBondContact OG1-N 3.07Å; T755-E758 VanDerWaalsContact OG1-N 3.11Å; T755-E758 PolarHBondContact OG1-OE2 3.24Å; T755-S759 PolarHBondContact O-N 3.1Å
756P87.9Confident87.6Confident13 Ų1345 Ų458%0.08426%0.255CS..Hα-helixtrans-54.2-41.3173.2-24.432.3000112.2G723 W726 S759 E760G723-P756 VanDerWaalsContact CA-C 3.44Å; G723-P756 VanDerWaalsContact CA-O 3.26Å; G723-P756 WeakPolarHBondContact CA-O 3.41Å; W726-P756 HydrophobicContact CD2-CG 4.42Å; W726-P756 HydrophobicContact CG-CG 3.88Å; P756-S759 WeakPolarHBondContact O-CB 3.31Å; P756-S759 PolarHBondContact O-N 3.14Å; P756-E760 PolarHBondContact O-N 3.37Å
757S87.4Confident86.9Confident71 Ų7143.3 Ų43.350%0.49724%0.241SC..Hα-helixtrans-67.3-39.3179.4-176.70000112.9G723 T755 S761G723-S757 PolarHBondContact O-N 3.4Å; T755-S757 PolarHBondContact O-N 3.47Å; S757-S761 VanDerWaalsContact O-CB 3.28Å; S757-S761 WeakPolarHBondContact O-CB 3.35Å; S757-S761 PolarHBondContact O-N 2.86Å; S757-S761 PolarHBondContact O-OG 2.95Å
758E89Confident85.6Confident65 Ų6545.4 Ų45.430%0.30425%0.252SS..Hα-helixtrans-64.7-39.6169.9-78.6172.3100.600112.2L754 T755 S761 L762 R787L754-E758 HydrophobicContact CD2-CB 4.4Å; T755-E758 PolarHBondContact N-OE2 3.49Å; T755-E758 PolarHBondContact O-N 3.08Å; T755-E758 WeakPolarHBondContact OG1-CB 3.47Å; T755-E758 VanDerWaalsContact OG1-CG 3.23Å; T755-E758 WeakPolarHBondContact OG1-CG 3.47Å; T755-E758 PolarHBondContact OG1-N 3.07Å; T755-E758 VanDerWaalsContact OG1-N 3.11Å; T755-E758 PolarHBondContact OG1-OE2 3.24Å; E758-S761 PolarHBondContact O-N 3.27Å; E758-L762 WeakPolarHBondContact O-CB 3.14Å; E758-L762 VanDerWaalsContact O-CG 3.25Å; E758-L762 WeakPolarHBondContact O-CG 3.33Å; E758-L762 PolarHBondContact O-N 3.46Å; E758-R787 IonicContact OE1-CZ 3.91Å; E758-R787 IonicContact OE1-NH1 3.69Å; E758-R787 IonicContact OE1-NH2 3.61Å; E758-R787 PolarHBondContact OE1-NH2 3.14Å
759S86.3Confident84.1Confident3 Ų352 Ų522%0.02129%0.287CS..Hα-helixtrans-61.3-47.1177.5-174.10000111.4W726 T755 P756 L762 R763W726-S759 WeakPolarHBondContact CH2-OG 3.43Å; T755-S759 PolarHBondContact O-N 3.1Å; P756-S759 WeakPolarHBondContact O-CB 3.31Å; P756-S759 PolarHBondContact O-N 3.14Å; S759-L762 PolarHBondContact O-N 3.11Å; S759-R763 PolarHBondContact O-N 3.37Å
760E84.8Confident82.4Confident34 Ų3456.3 Ų56.316%0.15932%0.319CS..Hα-helixtrans-66.5-38.9175.2-17469161.300111.7H720 H722 P756 L762 R763 I764H720-E760 IonicContact CD2-OE2 3.42Å; H720-E760 IonicContact CE1-OE2 2.72Å; H720-E760 IonicContact NE2-OE2 3.88Å; H720-E760 PolarHBondContact NE2-OE2 2.87Å; H722-E760 IonicContact ND1-OE1 3.78Å; P756-E760 PolarHBondContact O-N 3.37Å; E760-L762 VanDerWaalsContact C-N 3.35Å; E760-L762 PolarHBondContact O-N 2.92Å; E760-R763 WeakPolarHBondContact O-CB 3.25Å; E760-R763 PolarHBondContact O-N 3.06Å; E760-R763 WeakPolarHBondContact OE2-CD 3.42Å; E760-I764 HydrophobicContact CG-CD1 3.95Å; E760-I764 HydrophobicContact CG-CG1 4.48Å; E760-I764 WeakPolarHBondContact O-CG1 3.43Å; E760-I764 PolarHBondContact O-N 3.48Å
761S85.8Confident80.7Confident56 Ų5657 Ų5739%0.39233%0.327SS..Hα-helixtrans-60.8-42.6174.2-60.70000111.9S757 E758 I764 L765S757-S761 VanDerWaalsContact O-CB 3.28Å; S757-S761 WeakPolarHBondContact O-CB 3.35Å; S757-S761 PolarHBondContact O-N 2.86Å; S757-S761 PolarHBondContact O-OG 2.95Å; E758-S761 PolarHBondContact O-N 3.27Å; S761-I764 PolarHBondContact O-N 3.28Å; S761-L765 VanDerWaalsContact O-CB 3.31Å; S761-L765 WeakPolarHBondContact O-CB 3.4Å; S761-L765 WeakPolarHBondContact O-CG 3.14Å; S761-L765 PolarHBondContact O-N 2.84Å
762L85Confident79.4Confident7 Ų757.8 Ų57.84%0.03734%0.336CS..Hα-helixtrans-68.4-34.7175.1-70.6173.1000112L754 E758 S759 E760 S766 H784 R787 L788L754-L762 HydrophobicContact CD1-CD1 3.99Å; L754-L762 HydrophobicContact CD2-CD1 4.03Å; E758-L762 WeakPolarHBondContact O-CB 3.14Å; E758-L762 VanDerWaalsContact O-CG 3.25Å; E758-L762 WeakPolarHBondContact O-CG 3.33Å; E758-L762 PolarHBondContact O-N 3.46Å; S759-L762 PolarHBondContact O-N 3.11Å; E760-L762 VanDerWaalsContact C-N 3.35Å; E760-L762 PolarHBondContact O-N 2.92Å; L762-S766 WeakPolarHBondContact O-CB 3.27Å; L762-S766 PolarHBondContact O-N 2.72Å; L762-S766 VanDerWaalsContact O-N 3.07Å; L762-S766 PolarHBondContact O-OG 3.09Å; L762-H784 HydrophobicContact CD2-CB 4Å; L762-H784 WeakPolarHBondContact CD2-ND1 3.4Å; L762-R787 HydrophobicContact CD1-CB 4.42Å; L762-R787 HydrophobicContact CD1-CG 4.03Å; L762-L788 HydrophobicContact CB-CB 4.48Å
763R83.5Confident78Confident26 Ų2662.9 Ų62.910%0.09837%0.373CS..Hα-helixtrans-62.8-50.6171.9-176.1-178.7177.7168.9-5.7110.5D384 D385 S759 E760 S766 K767D384-R763 IonicContact OD1-CZ 3.3Å; D384-R763 IonicContact OD1-NE 3.71Å; D384-R763 IonicContact OD1-NH2 3.03Å; D384-R763 PolarHBondContact OD1-NH2 3.26Å; D385-R763 IonicContact OD1-CZ 3.89Å; D385-R763 VanDerWaalsContact OD1-CZ 3.3Å; D385-R763 IonicContact OD1-NH1 3.92Å; D385-R763 PolarHBondContact OD1-NH1 3.02Å; D385-R763 IonicContact OD1-NH2 2.92Å; D385-R763 PolarHBondContact OD1-NH2 3.18Å; D385-R763 IonicContact OD2-CZ 2.74Å; D385-R763 IonicContact OD2-NH1 2.76Å; D385-R763 IonicContact OD2-NH2 3.72Å; D385-R763 PolarHBondContact OD2-NH2 3.43Å; S759-R763 PolarHBondContact O-N 3.37Å; E760-R763 WeakPolarHBondContact O-CB 3.25Å; E760-R763 PolarHBondContact O-N 3.06Å; E760-R763 WeakPolarHBondContact OE2-CD 3.42Å; R763-S766 PolarHBondContact O-N 3.46Å; R763-S766 VanDerWaalsContact O-N 3.17Å; R763-S766 PolarHBondContact O-OG 2.77Å; R763-K767 PolarHBondContact O-N 3.32Å
764I83.7Confident77.3Confident107 Ų10764 Ų6455%0.54937%0.365SS..Hα-helixtrans-60.9-50.8179.2-67.4166.6000110.6E760 S761 S766 K767E760-I764 HydrophobicContact CG-CD1 3.95Å; E760-I764 HydrophobicContact CG-CG1 4.48Å; E760-I764 WeakPolarHBondContact O-CG1 3.43Å; E760-I764 PolarHBondContact O-N 3.48Å; S761-I764 PolarHBondContact O-N 3.28Å; I764-S766 PolarHBondContact O-N 2.68Å; I764-S766 VanDerWaalsContact O-N 3.11Å; I764-K767 PolarHBondContact O-N 3.34Å
765L81.7Confident76.7Confident99 Ų9968.2 Ų68.252%0.51839%0.393SS..Hα-helixtrans-65.4-13178.1-68.3169.9000114.1S761 H784S761-L765 VanDerWaalsContact O-CB 3.31Å; S761-L765 WeakPolarHBondContact O-CB 3.4Å; S761-L765 WeakPolarHBondContact O-CG 3.14Å; S761-L765 PolarHBondContact O-N 2.84Å; L765-H784 HydrophobicContact CB-CB 4.43Å
766S79.1Confident76.2Confident0 Ų070.8 Ų70.80%040%0.404CS..Hα-helixtrans-91.4-10.1174.772.60000114.5F383 L762 R763 I764 I768 R785F383-S766 VanDerWaalsContact CE1-OG 3.31Å; F383-S766 WeakPolarHBondContact CE1-OG 3.41Å; L762-S766 WeakPolarHBondContact O-CB 3.27Å; L762-S766 PolarHBondContact O-N 2.72Å; L762-S766 VanDerWaalsContact O-N 3.07Å; L762-S766 PolarHBondContact O-OG 3.09Å; R763-S766 PolarHBondContact O-N 3.46Å; R763-S766 VanDerWaalsContact O-N 3.17Å; R763-S766 PolarHBondContact O-OG 2.77Å; I764-S766 PolarHBondContact O-N 2.68Å; I764-S766 VanDerWaalsContact O-N 3.11Å; S766-I768 PolarHBondContact O-N 3.08Å; S766-R785 PolarHBondContact O-NE 2.67Å; S766-R785 PolarHBondContact O-NH2 3.24Å
767K74.6Confident75.6Confident100 Ų10071.6 Ų71.644%0.43541%0.412SS..  trans-83.6102.9171.7-67.1-161.3177.6-164.70109.3D384 R763 I764D384-K767 WeakPolarHBondContact OD1-CE 3.42Å; D384-K767 IonicContact OD1-NZ 2.84Å; D384-K767 PolarHBondContact OD1-NZ 2.72Å; D384-K767 IonicContact OD2-NZ 3.64Å; D384-K767 PolarHBondContact OD2-NZ 2.81Å; R763-K767 PolarHBondContact O-N 3.32Å; I764-K767 PolarHBondContact O-N 3.34Å
768I65.3Low75.1Confident52 Ų5271.1 Ų71.127%0.26740%0.403SS..  trans-79.8123.8173.4-54.8165.4000107S766 S770 I778 A781S766-I768 PolarHBondContact O-N 3.08Å; I768-S770 PolarHBondContact O-N 2.83Å; I768-I778 HydrophobicContact CD1-CB 4.43Å; I768-I778 HydrophobicContact CD1-CG1 4.28Å; I768-I778 HydrophobicContact CD1-CG2 4.31Å; I768-A781 HydrophobicContact CD1-CB 3.73Å; I768-A781 HydrophobicContact CG1-CB 3.37Å
769D60.4Low74.7Confident137 Ų13773.9 Ų73.973%0.73342%0.416SS*.  trans-55.6127.1166.9-83-36.6000109.1N771 S772D769-N771 PolarHBondContact O-N 2.99Å; D769-S772 VanDerWaalsContact O-CB 3.27Å; D769-S772 WeakPolarHBondContact O-CB 3.48Å; D769-S772 PolarHBondContact O-N 3.42Å
770S56.2Low74.5Confident125 Ų12579.4 Ų79.487%0.87444%0.441SS*.THydrogen-bonded Turntrans-59.6-7.5-169.5-45.60000115.7I768I768-S770 PolarHBondContact O-N 2.83Å
771N56Low74.2Confident153 Ų15378 Ų7882%0.81844%0.435SS*.THydrogen-bonded Turntrans-103.1-1.4177.5-57.9-56.2000113.4D769 S773D769-N771 PolarHBondContact O-N 2.99Å; N771-S773 PolarHBondContact O-N 3.22Å
772S61.1Low74.1Confident43 Ų4380 Ų8030%0.30144%0.439SS..  trans-79.385.1-175.7-174.40000112.3D769 N774D769-S772 VanDerWaalsContact O-CB 3.27Å; D769-S772 WeakPolarHBondContact O-CB 3.48Å; D769-S772 PolarHBondContact O-N 3.42Å; S772-N774 PolarHBondContact O-N 3.06Å; S772-N774 VanDerWaalsContact O-N 3.07Å
773S62.9Low74.2Confident116 Ų11686.9 Ų86.981%0.81147%0.468SS*.  trans-73.914.5174.9-55.40000114.2N771 P775N771-S773 PolarHBondContact O-N 3.22Å; S773-P775 WeakPolarHBondContact O-CD 3.4Å
774N74.4Confident74.3Confident80 Ų8087.9 Ų87.943%0.42847%0.474SS..  trans-85112.9-178.2-179.8-0.5000110.5S772 L776 A777 I778S772-N774 PolarHBondContact O-N 3.06Å; S772-N774 VanDerWaalsContact O-N 3.07Å; N774-L776 PolarHBondContact O-N 2.6Å; N774-L776 WeakPolarHBondContact OD1-CB 3.26Å; N774-L776 PolarHBondContact OD1-N 2.75Å; N774-L776 VanDerWaalsContact OD1-N 3.09Å; N774-A777 HydrophobicContact CB-CB 4.09Å; N774-A777 PolarHBondContact O-N 3.17Å; N774-A777 VanDerWaalsContact O-N 3.11Å; N774-I778 PolarHBondContact O-N 2.78Å; N774-I778 VanDerWaalsContact O-N 3.16Å
775P75.9Confident74.2Confident92 Ų9283.8 Ų83.860%0.59745%0.452SS*.Hα-helixtrans-62.7-27.5-176.926.3-35.2000113.2S773 Q779S773-P775 WeakPolarHBondContact O-CD 3.4Å; P775-Q779 WeakPolarHBondContact O-CB 3.24Å; P775-Q779 PolarHBondContact O-N 2.77Å
776L78.7Confident74.4Confident107 Ų10784 Ų8456%0.5645%0.45SS*.Hα-helixtrans-68.4-43.1176-63.4173.5000111.3N774 I778 Q779 E780N774-L776 PolarHBondContact O-N 2.6Å; N774-L776 WeakPolarHBondContact OD1-CB 3.26Å; N774-L776 PolarHBondContact OD1-N 2.75Å; N774-L776 VanDerWaalsContact OD1-N 3.09Å; L776-I778 VanDerWaalsContact C-N 3.33Å; L776-I778 PolarHBondContact O-N 3.36Å; L776-Q779 PolarHBondContact O-N 3.03Å; L776-E780 WeakPolarHBondContact O-CG 3.16Å; L776-E780 PolarHBondContact O-N 2.9Å
777A75.1Confident74.7Confident31 Ų3189.8 Ų89.826%0.25647%0.472SS..Hα-helixtrans-65.7-37.3177.700000111.7N774 A781N774-A777 HydrophobicContact CB-CB 4.09Å; N774-A777 PolarHBondContact O-N 3.17Å; N774-A777 VanDerWaalsContact O-N 3.11Å; A777-A781 VanDerWaalsContact O-CB 3.29Å; A777-A781 WeakPolarHBondContact O-CB 3.38Å; A777-A781 PolarHBondContact O-N 3.14Å
778I77.3Confident75.3Confident60 Ų6085.7 Ų85.731%0.30846%0.455SS..Hα-helixtrans-63.7-46173.1-61.3168000110.2I768 N774 L776 E780 A781 Q782I768-I778 HydrophobicContact CD1-CB 4.43Å; I768-I778 HydrophobicContact CD1-CG1 4.28Å; I768-I778 HydrophobicContact CD1-CG2 4.31Å; N774-I778 PolarHBondContact O-N 2.78Å; N774-I778 VanDerWaalsContact O-N 3.16Å; L776-I778 VanDerWaalsContact C-N 3.33Å; L776-I778 PolarHBondContact O-N 3.36Å; I778-E780 PolarHBondContact O-N 2.78Å; I778-A781 PolarHBondContact O-N 3.13Å; I778-Q782 HydrophobicContact CG2-CG 4.48Å; I778-Q782 WeakPolarHBondContact O-CB 3.2Å; I778-Q782 VanDerWaalsContact O-CG 3.29Å; I778-Q782 WeakPolarHBondContact O-CG 3.38Å; I778-Q782 PolarHBondContact O-N 2.9Å
779Q81.3Confident76.1Confident124 Ų12486.8 Ų86.858%0.57946%0.456SS*.Hα-helixtrans-63.7-40178.5-172.5179.718.100112.6P775 L776 K783P775-Q779 WeakPolarHBondContact O-CB 3.24Å; P775-Q779 PolarHBondContact O-N 2.77Å; L776-Q779 PolarHBondContact O-N 3.03Å; Q779-K783 WeakPolarHBondContact O-CB 3.34Å; Q779-K783 PolarHBondContact O-N 3.12Å
780E81.4Confident77.4Confident118 Ų11883.1 Ų83.155%0.55144%0.438SS*.Hα-helixtrans-67.6-47.2175.5-73-177.1150.400111.4L776 I778 Q782 K783 H784L776-E780 WeakPolarHBondContact O-CG 3.16Å; L776-E780 PolarHBondContact O-N 2.9Å; I778-E780 PolarHBondContact O-N 2.78Å; E780-Q782 VanDerWaalsContact C-N 3.34Å; E780-Q782 PolarHBondContact O-N 3.1Å; E780-K783 WeakPolarHBondContact O-CA 3.39Å; E780-K783 WeakPolarHBondContact O-CB 3.44Å; E780-K783 PolarHBondContact O-N 3.27Å; E780-K783 VanDerWaalsContact O-N 3.09Å; E780-H784 PolarHBondContact O-CD2 3.48Å; E780-H784 PolarHBondContact O-N 3.31Å
781A80Confident78.8Confident4 Ų477.8 Ų77.83%0.03340%0.402CS..Hα-helixtrans-58.7-43.2174.300000112.1I768 A777 I778 K783 H784 R785I768-A781 HydrophobicContact CD1-CB 3.73Å; I768-A781 HydrophobicContact CG1-CB 3.37Å; A777-A781 VanDerWaalsContact O-CB 3.29Å; A777-A781 WeakPolarHBondContact O-CB 3.38Å; A777-A781 PolarHBondContact O-N 3.14Å; I778-A781 PolarHBondContact O-N 3.13Å; A781-K783 VanDerWaalsContact C-N 3.35Å; A781-K783 PolarHBondContact O-N 2.88Å; A781-H784 PolarHBondContact O-N 3.22Å; A781-H784 VanDerWaalsContact O-N 3.17Å; A781-R785 WeakPolarHBondContact O-CG 3.43Å; A781-R785 PolarHBondContact O-N 2.86Å
782Q82.5Confident80.3Confident98 Ų9871.5 Ų71.546%0.45837%0.368SS..Hα-helixtrans-59.7-42173.2-77.3176.2-15.800112.2I778 E780 H784 R785 Q786I778-Q782 HydrophobicContact CG2-CG 4.48Å; I778-Q782 WeakPolarHBondContact O-CB 3.2Å; I778-Q782 VanDerWaalsContact O-CG 3.29Å; I778-Q782 WeakPolarHBondContact O-CG 3.38Å; I778-Q782 PolarHBondContact O-N 2.9Å; E780-Q782 VanDerWaalsContact C-N 3.34Å; E780-Q782 PolarHBondContact O-N 3.1Å; Q782-H784 VanDerWaalsContact C-N 3.34Å; Q782-H784 PolarHBondContact O-N 2.97Å; Q782-R785 PolarHBondContact O-N 3.39Å; Q782-Q786 WeakPolarHBondContact O-CB 3.21Å; Q782-Q786 PolarHBondContact O-N 3.28Å
783K86.2Confident81.3Confident152 Ų15273 Ų7366%0.66138%0.376SS*.Hα-helixtrans-62.7-38.1174-179.7-175.3176.5-173.20112.1Q779 E780 A781 Q786 R787Q779-K783 WeakPolarHBondContact O-CB 3.34Å; Q779-K783 PolarHBondContact O-N 3.12Å; E780-K783 WeakPolarHBondContact O-CA 3.39Å; E780-K783 WeakPolarHBondContact O-CB 3.44Å; E780-K783 PolarHBondContact O-N 3.27Å; E780-K783 VanDerWaalsContact O-N 3.09Å; A781-K783 VanDerWaalsContact C-N 3.35Å; A781-K783 PolarHBondContact O-N 2.88Å; K783-Q786 PolarHBondContact O-N 3.2Å; K783-R787 PolarHBondContact O-N 3.49Å
784H86.6Confident82.3Confident48 Ų4872.4 Ų72.422%0.22236%0.363CS..Hα-helixtrans-67.2-45.5173.7-65.9-59.9000112.1L762 L765 E780 A781 Q782 Q786 R787 L788L762-H784 HydrophobicContact CD2-CB 4Å; L762-H784 WeakPolarHBondContact CD2-ND1 3.4Å; L765-H784 HydrophobicContact CB-CB 4.43Å; E780-H784 PolarHBondContact O-CD2 3.48Å; E780-H784 PolarHBondContact O-N 3.31Å; A781-H784 PolarHBondContact O-N 3.22Å; A781-H784 VanDerWaalsContact O-N 3.17Å; Q782-H784 VanDerWaalsContact C-N 3.34Å; Q782-H784 PolarHBondContact O-N 2.97Å; H784-Q786 VanDerWaalsContact C-N 3.28Å; H784-Q786 PolarHBondContact O-N 3.29Å; H784-R787 PolarHBondContact O-N 3.32Å; H784-L788 PolarHBondContact O-N 3.46Å; H784-L788 VanDerWaalsContact O-N 3.15Å
785R82.4Confident82.9Confident21 Ų2168.6 Ų68.68%0.07934%0.343CS..Hα-helixtrans-54.2-45.5171.5-66.3177.7-172.4-1770.8111D380 F383 S766 A781 Q782 L788 R789D380-R785 IonicContact OD1-NH1 2.69Å; D380-R785 PolarHBondContact OD1-NH1 3.15Å; F383-R785 HydrophobicContact CD2-CG 4.35Å; F383-R785 HydrophobicContact CE2-CB 4.21Å; F383-R785 HydrophobicContact CE2-CG 3.59Å; F383-R785 HydrophobicContact CZ-CB 4.35Å; F383-R785 HydrophobicContact CZ-CG 3.79Å; S766-R785 PolarHBondContact O-NE 2.67Å; S766-R785 PolarHBondContact O-NH2 3.24Å; A781-R785 WeakPolarHBondContact O-CG 3.43Å; A781-R785 PolarHBondContact O-N 2.86Å; Q782-R785 PolarHBondContact O-N 3.39Å; R785-L788 PolarHBondContact O-N 2.72Å; R785-R789 WeakPolarHBondContact O-CB 3.42Å; R785-R789 VanDerWaalsContact O-CG 3.3Å; R785-R789 WeakPolarHBondContact O-CG 3.28Å; R785-R789 PolarHBondContact O-N 2.86Å
786Q84.5Confident83.2Confident102 Ų10266.2 Ų66.248%0.47732%0.324SS..Hα-helixtrans-69.8-40.6-177.4-169.956.244.700112.9Q782 K783 H784 L788 R789 T790Q782-Q786 WeakPolarHBondContact O-CB 3.21Å; Q782-Q786 PolarHBondContact O-N 3.28Å; K783-Q786 PolarHBondContact O-N 3.2Å; H784-Q786 VanDerWaalsContact C-N 3.28Å; H784-Q786 PolarHBondContact O-N 3.29Å; Q786-L788 VanDerWaalsContact C-N 3.33Å; Q786-L788 PolarHBondContact O-N 2.64Å; Q786-R789 PolarHBondContact O-N 3.2Å; Q786-T790 PolarHBondContact NE2-OG1 3.16Å; Q786-T790 WeakPolarHBondContact O-CB 3.4Å; Q786-T790 PolarHBondContact O-N 3.04Å; Q786-T790 PolarHBondContact O-OG1 2.88Å
787R86.9Confident83.2Confident122 Ų12264.8 Ų64.846%0.4632%0.32SS..Hα-helixtrans-58.6-46.1174.4-178.3177.2174.1-154.5-8.1110.9E758 L762 K783 H784 A791E758-R787 IonicContact OE1-CZ 3.91Å; E758-R787 IonicContact OE1-NH1 3.69Å; E758-R787 IonicContact OE1-NH2 3.61Å; E758-R787 PolarHBondContact OE1-NH2 3.14Å; L762-R787 HydrophobicContact CD1-CB 4.42Å; L762-R787 HydrophobicContact CD1-CG 4.03Å; K783-R787 PolarHBondContact O-N 3.49Å; H784-R787 PolarHBondContact O-N 3.32Å; R787-A791 WeakPolarHBondContact O-CB 3.42Å; R787-A791 PolarHBondContact O-N 3.39Å; R787-A791 VanDerWaalsContact O-N 3.1Å
788L86.6Confident83.6Confident15 Ų1566.6 Ų66.68%0.07932%0.322CS..Hα-helixtrans-66.2-45.2179.4-175.161.3000112L754 L762 H784 R785 Q786 A791 L792L754-L788 HydrophobicContact CD1-CD1 3.92Å; L762-L788 HydrophobicContact CB-CB 4.48Å; H784-L788 PolarHBondContact O-N 3.46Å; H784-L788 VanDerWaalsContact O-N 3.15Å; R785-L788 PolarHBondContact O-N 2.72Å; Q786-L788 VanDerWaalsContact C-N 3.33Å; Q786-L788 PolarHBondContact O-N 2.64Å; L788-A791 PolarHBondContact O-N 3Å; L788-L792 HydrophobicContact CD1-CD1 4.23Å; L788-L792 HydrophobicContact CD1-CG 4.48Å; L788-L792 HydrophobicContact CG-CD1 4.2Å; L788-L792 WeakPolarHBondContact O-CG 3.44Å; L788-L792 PolarHBondContact O-N 3.17Å; L788-L792 VanDerWaalsContact O-N 3.08Å
789R83Confident83.9Confident75 Ų7564.1 Ų64.128%0.28331%0.309SS..Hα-helixtrans-59-49.3175.2-76.6172.7176.1157.6-3.6112R785 Q786 A791 L792 T793R785-R789 WeakPolarHBondContact O-CB 3.42Å; R785-R789 VanDerWaalsContact O-CG 3.3Å; R785-R789 WeakPolarHBondContact O-CG 3.28Å; R785-R789 PolarHBondContact O-N 2.86Å; Q786-R789 PolarHBondContact O-N 3.2Å; R789-A791 PolarHBondContact O-N 3.12Å; R789-L792 PolarHBondContact O-N 2.92Å; R789-T793 WeakPolarHBondContact O-CB 3.08Å; R789-T793 PolarHBondContact O-N 3.15Å; R789-T793 PolarHBondContact O-OG1 2.9Å; R789-T793 VanDerWaalsContact O-OG1 3.08Å
790T86.6Confident83.6Confident60 Ų6061 Ų6137%0.36830%0.301SS..Hα-helixtrans-61.4-41.5179.5-68.60000112Q786 N794Q786-T790 PolarHBondContact NE2-OG1 3.16Å; Q786-T790 WeakPolarHBondContact O-CB 3.4Å; Q786-T790 PolarHBondContact O-N 3.04Å; Q786-T790 PolarHBondContact O-OG1 2.88Å; T790-N794 WeakPolarHBondContact O-CB 3.46Å; T790-N794 PolarHBondContact O-N 3.16Å; T790-N794 PolarHBondContact O-ND2 3.45Å; T790-N794 PolarHBondContact O-OD1 3.02Å
791A85.9Confident83.2Confident13 Ų1362.6 Ų62.611%0.10731%0.308CS..Hα-helixtrans-60.1-48.9175.300000112.1I752 L754 R787 L788 R789 N794 F795I752-A791 HydrophobicContact CG2-CB 4.38Å; L754-A791 HydrophobicContact CD1-CB 3.54Å; L754-A791 HydrophobicContact CG-CB 4.03Å; R787-A791 WeakPolarHBondContact O-CB 3.42Å; R787-A791 PolarHBondContact O-N 3.39Å; R787-A791 VanDerWaalsContact O-N 3.1Å; L788-A791 PolarHBondContact O-N 3Å; R789-A791 PolarHBondContact O-N 3.12Å; A791-N794 PolarHBondContact O-N 3.3Å; A791-F795 WeakPolarHBondContact O-CB 3.38Å; A791-F795 PolarHBondContact O-N 3.31Å
792L86.9Confident83.3Confident21 Ų2162.5 Ų62.511%0.1131%0.307CS..Hα-helixtrans-68.1-37.3-179.5-66.5174.2000113L388 L718 L788 R789 F795 Q796L388-L792 HydrophobicContact CD2-CD1 4.16Å; L718-L792 HydrophobicContact CD2-CD2 3.86Å; L788-L792 HydrophobicContact CD1-CD1 4.23Å; L788-L792 HydrophobicContact CD1-CG 4.48Å; L788-L792 HydrophobicContact CG-CD1 4.2Å; L788-L792 WeakPolarHBondContact O-CG 3.44Å; L788-L792 PolarHBondContact O-N 3.17Å; L788-L792 VanDerWaalsContact O-N 3.08Å; R789-L792 PolarHBondContact O-N 2.92Å; L792-F795 PolarHBondContact O-N 3.33Å; L792-Q796 WeakPolarHBondContact O-CB 3.47Å; L792-Q796 PolarHBondContact O-N 3.18Å
793T82.4Confident83.4Confident75 Ų7559 Ų5946%0.4630%0.297SS..Hα-helixtrans-67.5-39.5174.9-60.30000111.9R789 Q796 T797R789-T793 WeakPolarHBondContact O-CB 3.08Å; R789-T793 PolarHBondContact O-N 3.15Å; R789-T793 PolarHBondContact O-OG1 2.9Å; R789-T793 VanDerWaalsContact O-OG1 3.08Å; T793-Q796 PolarHBondContact O-N 3.03Å; T793-T797 WeakPolarHBondContact O-CB 3.27Å; T793-T797 PolarHBondContact O-N 3.29Å; T793-T797 PolarHBondContact O-OG1 2.86Å
794N84.2Confident83.4Confident102 Ų10252 Ų5255%0.54527%0.268SS..Hα-helixtrans-63.3-45174.3-70.5-3.9000110.6T790 A791 T797 F798T790-N794 WeakPolarHBondContact O-CB 3.46Å; T790-N794 PolarHBondContact O-N 3.16Å; T790-N794 PolarHBondContact O-ND2 3.45Å; T790-N794 PolarHBondContact O-OD1 3.02Å; A791-N794 PolarHBondContact O-N 3.3Å; N794-T797 WeakPolarHBondContact O-CB 3.41Å; N794-T797 PolarHBondContact O-N 3.18Å; N794-F798 WeakPolarHBondContact O-CB 3.32Å; N794-F798 PolarHBondContact O-N 3.48Å
795F87.7Confident83.5Confident1 Ų150.2 Ų50.20%0.00426%0.26CS..Hα-helixtrans-60.3-45.9175.7179.8-116.3000112.7L718 L728 L748 W751 I752 A791 L792 T797 F798 L799L718-F795 HydrophobicContact CD1-CE1 4.3Å; L718-F795 HydrophobicContact CD2-CD1 4.16Å; L718-F795 HydrophobicContact CD2-CE1 3.89Å; L728-F795 HydrophobicContact CD2-CE1 4.35Å; L728-F795 HydrophobicContact CD2-CZ 4.03Å; L748-F795 HydrophobicContact CD2-CE2 4.35Å; L748-F795 HydrophobicContact CD2-CZ 3.83Å; W751-F795 HydrophobicContact CB-CD2 3.78Å; W751-F795 HydrophobicContact CB-CE2 3.62Å; W751-F795 AromaticContact CE3-CE2 3.95Å; W751-F795 HydrophobicContact CE3-CE2 3.95Å; W751-F795 HydrophobicContact CG-CE2 4.48Å; I752-F795 HydrophobicContact CD1-CD1 4.43Å; I752-F795 HydrophobicContact CD1-CE1 4.31Å; I752-F795 HydrophobicContact CD1-CZ 4.35Å; I752-F795 HydrophobicContact CG1-CB 4.15Å; I752-F795 HydrophobicContact CG1-CD1 3.9Å; I752-F795 HydrophobicContact CG1-CD2 3.57Å; I752-F795 HydrophobicContact CG1-CE1 4.15Å; I752-F795 HydrophobicContact CG1-CE2 3.85Å; I752-F795 HydrophobicContact CG1-CG 3.6Å; I752-F795 HydrophobicContact CG1-CZ 4.11Å; A791-F795 WeakPolarHBondContact O-CB 3.38Å; A791-F795 PolarHBondContact O-N 3.31Å; L792-F795 PolarHBondContact O-N 3.33Å; F795-T797 VanDerWaalsContact C-N 3.31Å; F795-T797 PolarHBondContact O-N 3.21Å; F795-F798 PolarHBondContact O-N 2.97Å; F795-L799 HydrophobicContact CD1-CD1 4.05Å; F795-L799 HydrophobicContact CD2-CG 4.37Å; F795-L799 HydrophobicContact CE1-CD1 3.47Å; F795-L799 VanDerWaalsContact CE1-CD1 3.47Å; F795-L799 HydrophobicContact CE1-CG 4.15Å; F795-L799 HydrophobicContact CE2-CD1 4.18Å; F795-L799 HydrophobicContact CE2-CD2 4.06Å; F795-L799 HydrophobicContact CE2-CG 3.99Å; F795-L799 HydrophobicContact CZ-CD1 3.56Å; F795-L799 HydrophobicContact CZ-CD2 4.02Å; F795-L799 HydrophobicContact CZ-CG 3.88Å; F795-L799 WeakPolarHBondContact O-CG 3.34Å; F795-L799 PolarHBondContact O-N 2.88Å
796Q81.9Confident83.9Confident41 Ų4149.2 Ų49.219%0.19226%0.256CS..Hα-helixtrans-58.5-42.4174173170.11500112M395 L792 T793 S800M395-Q796 HydrophobicContact CG-CB 4.13Å; M395-Q796 HydrophobicContact CG-CG 3.8Å; M395-Q796 HydrophobicContact SD-CB 4.34Å; L792-Q796 WeakPolarHBondContact O-CB 3.47Å; L792-Q796 PolarHBondContact O-N 3.18Å; T793-Q796 PolarHBondContact O-N 3.03Å; Q796-S800 PolarHBondContact O-N 2.77Å; Q796-S800 VanDerWaalsContact O-N 3.15Å
797T78.1Confident84.1Confident78 Ų7846.9 Ų46.948%0.47925%0.247SC..Hα-helixtrans-63.5-46.2177.2-54.10000110.8T793 N794 F795 S800T793-T797 WeakPolarHBondContact O-CB 3.27Å; T793-T797 PolarHBondContact O-N 3.29Å; T793-T797 PolarHBondContact O-OG1 2.86Å; N794-T797 WeakPolarHBondContact O-CB 3.41Å; N794-T797 PolarHBondContact O-N 3.18Å; F795-T797 VanDerWaalsContact C-N 3.31Å; F795-T797 PolarHBondContact O-N 3.21Å; T797-S800 WeakPolarHBondContact O-CB 3.34Å; T797-S800 PolarHBondContact O-N 2.79Å; T797-S800 PolarHBondContact O-OG 3.17Å
798F84.3Confident84.3Confident68 Ų6841.1 Ų41.130%0.29823%0.225SC..Hα-helixtrans-60.5-48.3176.8176.3-107.5000112.5W751 N794 F795 S800 H801 L802 Y854W751-F798 HydrophobicContact CB-CD1 4.27Å; W751-F798 HydrophobicContact CB-CE1 4.03Å; W751-F798 AromaticContact CD1-CE1 3.63Å; W751-F798 AromaticContact CD1-CZ 3.99Å; W751-F798 HydrophobicContact CD2-CD1 4.5Å; W751-F798 AromaticContact CD2-CE1 3.68Å; W751-F798 HydrophobicContact CD2-CE1 3.68Å; W751-F798 AromaticContact CE2-CE1 3.78Å; W751-F798 HydrophobicContact CE3-CE1 4.37Å; W751-F798 HydrophobicContact CG-CD1 4.24Å; W751-F798 AromaticContact CG-CE1 3.53Å; W751-F798 HydrophobicContact CG-CE1 3.53Å; W751-F798 HydrophobicContact CG-CZ 4.33Å; W751-F798 HydrophobicContact CZ2-CE1 4.48Å; W751-F798 AromaticContact NE1-CE1 3.79Å; W751-F798 AromaticContact NE1-CZ 3.96Å; N794-F798 WeakPolarHBondContact O-CB 3.32Å; N794-F798 PolarHBondContact O-N 3.48Å; F795-F798 PolarHBondContact O-N 2.97Å; F798-S800 PolarHBondContact O-N 3.37Å; F798-H801 PolarHBondContact O-N 3.18Å; F798-H801 VanDerWaalsContact O-N 3.09Å; F798-L802 HydrophobicContact CD1-CD1 4.22Å; F798-L802 HydrophobicContact CE1-CD1 3.49Å; F798-L802 VanDerWaalsContact CE1-CD1 3.49Å; F798-L802 HydrophobicContact CE2-CD1 4.17Å; F798-L802 HydrophobicContact CZ-CD1 3.46Å; F798-L802 VanDerWaalsContact CZ-CD1 3.46Å; F798-L802 PolarHBondContact O-N 2.68Å; F798-Y854 HydrophobicContact CE2-CE1 4.16Å; F798-Y854 HydrophobicContact CZ-CD1 4.14Å; F798-Y854 AromaticContact CZ-CE1 3.76Å; F798-Y854 HydrophobicContact CZ-CE1 3.76Å
799L82.8Confident84.3Confident9 Ų941.2 Ų41.25%0.04723%0.226CC..Hα-helixtrans-57.9-35.5176.1-73.4-176.2000112.8L711 L714 L728 W751 F795 H801 L802L711-L799 HydrophobicContact CD1-CD2 4.12Å; L714-L799 HydrophobicContact CD2-CD1 4.3Å; L728-L799 HydrophobicContact CD2-CD1 4.15Å; W751-L799 HydrophobicContact CE3-CD2 4.46Å; W751-L799 HydrophobicContact CZ3-CD2 4.35Å; F795-L799 HydrophobicContact CD1-CD1 4.05Å; F795-L799 HydrophobicContact CD2-CG 4.37Å; F795-L799 HydrophobicContact CE1-CD1 3.47Å; F795-L799 VanDerWaalsContact CE1-CD1 3.47Å; F795-L799 HydrophobicContact CE1-CG 4.15Å; F795-L799 HydrophobicContact CE2-CD1 4.18Å; F795-L799 HydrophobicContact CE2-CD2 4.06Å; F795-L799 HydrophobicContact CE2-CG 3.99Å; F795-L799 HydrophobicContact CZ-CD1 3.56Å; F795-L799 HydrophobicContact CZ-CD2 4.02Å; F795-L799 HydrophobicContact CZ-CG 3.88Å; F795-L799 WeakPolarHBondContact O-CG 3.34Å; F795-L799 PolarHBondContact O-N 2.88Å; L799-H801 PolarHBondContact O-N 2.99Å; L799-H801 VanDerWaalsContact O-N 3.13Å; L799-L802 HydrophobicContact CD2-CD2 4.12Å; L799-L802 PolarHBondContact O-N 3.08Å
800S75Confident84.2Confident57 Ų5738.6 Ų38.640%0.39922%0.218SC..THydrogen-bonded Turntrans-65.5-13.4179.982.40000114.2Q796 T797 F798Q796-S800 PolarHBondContact O-N 2.77Å; Q796-S800 VanDerWaalsContact O-N 3.15Å; T797-S800 WeakPolarHBondContact O-CB 3.34Å; T797-S800 PolarHBondContact O-N 2.79Å; T797-S800 PolarHBondContact O-OG 3.17Å; F798-S800 PolarHBondContact O-N 3.37Å
801H72.2Confident83.1Confident152 Ų15240.1 Ų40.170%0.70422%0.221SC*.THydrogen-bonded Turntrans-124.711.2-179.7-64.2-12.9000113F798 L799 G803F798-H801 PolarHBondContact O-N 3.18Å; F798-H801 VanDerWaalsContact O-N 3.09Å; L799-H801 PolarHBondContact O-N 2.99Å; L799-H801 VanDerWaalsContact O-N 3.13Å; H801-G803 PolarHBondContact O-N 3.19Å
802L83.7Confident81.5Confident2 Ų243.5 Ų43.51%0.0124%0.24CC..  trans-71.892-171.4-167.376.1000113.1L711 W751 F798 L799 F806 Y854L711-L802 HydrophobicContact CB-CB 4.2Å; L711-L802 HydrophobicContact CB-CD2 4.18Å; L711-L802 HydrophobicContact CD1-CD2 3.73Å; L711-L802 PolarHBondContact N-O 2.78Å; W751-L802 HydrophobicContact CH2-CD2 3.68Å; W751-L802 HydrophobicContact CZ2-CD1 4.31Å; W751-L802 HydrophobicContact CZ2-CD2 4.26Å; W751-L802 HydrophobicContact CZ3-CD2 4.09Å; F798-L802 HydrophobicContact CD1-CD1 4.22Å; F798-L802 HydrophobicContact CE1-CD1 3.49Å; F798-L802 VanDerWaalsContact CE1-CD1 3.49Å; F798-L802 HydrophobicContact CE2-CD1 4.17Å; F798-L802 HydrophobicContact CZ-CD1 3.46Å; F798-L802 VanDerWaalsContact CZ-CD1 3.46Å; F798-L802 PolarHBondContact O-N 2.68Å; L799-L802 HydrophobicContact CD2-CD2 4.12Å; L799-L802 PolarHBondContact O-N 3.08Å; L802-F806 HydrophobicContact CD2-CE1 3.87Å; L802-F806 HydrophobicContact CD2-CZ 4.11Å; L802-F806 HydrophobicContact CG-CE1 3.98Å; L802-F806 HydrophobicContact CG-CZ 4Å; L802-Y854 HydrophobicContact CD1-CD1 4.29Å; L802-Y854 HydrophobicContact CD1-CD2 4.05Å; L802-Y854 HydrophobicContact CD1-CE1 3.92Å; L802-Y854 HydrophobicContact CD1-CE2 3.65Å; L802-Y854 HydrophobicContact CD1-CG 4.34Å; L802-Y854 HydrophobicContact CG-CE2 4.19Å
803G84.4Confident79.2Confident25 Ų2546.8 Ų46.826%0.25826%0.264SS..EExtended strand (participates in β ladder)trans-140.5135.9171.300000111.3G709 H801 Y854G709-G803 CarbonylContact O-C 3.54Å; G709-G803 VanDerWaalsContact O-CA 3.28Å; G709-G803 WeakPolarHBondContact O-CA 3.48Å; H801-G803 PolarHBondContact O-N 3.19Å; G803-Y854 PolarHBondContact O-OH 3.37Å
804G86.6Confident76.8Confident4 Ų449.2 Ų49.24%0.04127%0.274CS..EExtended strand (participates in β ladder)trans169.3-146.4-171.100000112R708 G709R708-G804 WeakPolarHBondContact CA-O 3.49Å; G709-G804 PolarHBondContact N-O 2.97Å; G709-G804 PolarHBondContact O-N 3.41Å
805L87.8Confident74.3Confident11 Ų1151.4 Ų51.46%0.05829%0.286CS..EExtended strand (participates in β ladder)trans-97.7122173.8-63.7171.4000109.9F678 T706 I707 R708 Y854 K855 M857 W861F678-L805 HydrophobicContact CB-CD2 4.27Å; F678-L805 HydrophobicContact CD1-CD2 4.42Å; T706-L805 HydrophobicContact CG2-CB 4.18Å; T706-L805 HydrophobicContact CG2-CD2 4.18Å; I707-L805 CarbonylContact O-C 3.07Å; I707-L805 WeakPolarHBondContact O-CA 3.34Å; R708-L805 HydrophobicContact CB-CD2 3.97Å; R708-L805 HydrophobicContact CG-CD2 4.42Å; L805-Y854 CarbonylContact O-C 3.6Å; L805-Y854 VanDerWaalsContact O-CA 3.29Å; L805-Y854 WeakPolarHBondContact O-CA 3.41Å; L805-K855 PolarHBondContact N-O 2.92Å; L805-K855 PolarHBondContact O-N 2.96Å; L805-M857 HydrophobicContact CD1-CG 4.4Å; L805-M857 HydrophobicContact CD2-SD 4.31Å; L805-M857 HydrophobicContact CG-CG 4.02Å; L805-M857 HydrophobicContact CG-SD 4.28Å; L805-W861 HydrophobicContact CD1-CD2 4.27Å; L805-W861 VanDerWaalsContact CD1-CE2 3.47Å; L805-W861 HydrophobicContact CD1-CH2 4.48Å; L805-W861 HydrophobicContact CD1-CZ2 3.61Å
806F89.9Confident71.6Confident0 Ų058.5 Ų58.50%032%0.324CS..EExtended strand (participates in β ladder)trans-106.9125.9178.2-67.3-58.8000110T706 I707 I732 L802 I808 L851 Y854T706-F806 WeakPolarHBondContact CA-O 3.44Å; I707-F806 PolarHBondContact N-O 2.93Å; I707-F806 PolarHBondContact O-N 2.96Å; I732-F806 HydrophobicContact CD1-CD2 4.1Å; I732-F806 HydrophobicContact CG2-CD2 4.44Å; I732-F806 HydrophobicContact CG2-CE2 4.17Å; I732-F806 HydrophobicContact CG2-CZ 4.46Å; L802-F806 HydrophobicContact CD2-CE1 3.87Å; L802-F806 HydrophobicContact CD2-CZ 4.11Å; L802-F806 HydrophobicContact CG-CE1 3.98Å; L802-F806 HydrophobicContact CG-CZ 4Å; F806-I808 HydrophobicContact CB-CD1 4.15Å; F806-I808 HydrophobicContact CB-CG1 4.38Å; F806-L851 HydrophobicContact CB-CD1 3.63Å; F806-L851 HydrophobicContact CD1-CD1 3.75Å; F806-L851 HydrophobicContact CD1-CD2 3.95Å; F806-L851 HydrophobicContact CE1-CD2 4.31Å; F806-L851 HydrophobicContact CG-CD1 4.06Å; F806-Y854 AromaticContact CD1-CD2 3.81Å; F806-Y854 HydrophobicContact CD1-CD2 3.81Å; F806-Y854 AromaticContact CE1-CD2 3.55Å; F806-Y854 HydrophobicContact CE1-CD2 3.55Å; F806-Y854 HydrophobicContact CE1-CE2 4.05Å; F806-Y854 HydrophobicContact CZ-CD2 4.38Å; F806-Y854 HydrophobicContact CZ-CE2 4.48Å
807N89.8Confident69.2Low54 Ų5462.8 Ų62.829%0.28935%0.352SS..EExtended strand (participates in β ladder)trans-97.9114.5174.3-73-21.4000109.6V704 T706 I852 G853V704-N807 HydrophobicContact CG1-CB 4.06Å; T706-N807 WeakPolarHBondContact CB-OD1 3.34Å; T706-N807 WeakPolarHBondContact CG2-OD1 3.35Å; T706-N807 PolarHBondContact OG1-OD1 2.88Å; N807-I852 HydrophobicContact CB-CG1 4.32Å; N807-I852 WeakPolarHBondContact O-CG1 3.48Å; N807-I852 PolarHBondContact O-N 2.76Å; N807-G853 PolarHBondContact N-O 3Å; N807-G853 PolarHBondContact O-N 3.13Å
808I90Very high67Low0 Ų067.1 Ų67.10%037%0.372CS..EExtended strand (participates in β ladder)trans-121.9134.7-170.6-62.1161000109.6V704 Y705 I707 I732 L739 L741 F806 I810 P849 I850 L851V704-I808 WeakPolarHBondContact CA-O 3.45Å; Y705-I808 PolarHBondContact N-O 2.96Å; Y705-I808 PolarHBondContact O-N 2.95Å; I707-I808 HydrophobicContact CD1-CD1 3.53Å; I707-I808 HydrophobicContact CG1-CD1 4.12Å; I732-I808 HydrophobicContact CD1-CD1 3.51Å; L739-I808 HydrophobicContact CD2-CD1 4Å; L739-I808 HydrophobicContact CD2-CG2 4.2Å; L741-I808 HydrophobicContact CD2-CD1 3.85Å; L741-I808 HydrophobicContact CD2-CG1 4.13Å; F806-I808 HydrophobicContact CB-CD1 4.15Å; F806-I808 HydrophobicContact CB-CG1 4.38Å; I808-I810 HydrophobicContact CG2-CG1 4.5Å; I808-P849 HydrophobicContact CG2-CB 3.68Å; I808-I850 WeakPolarHBondContact CA-O 3.27Å; I808-L851 HydrophobicContact CG1-CD1 3.77Å
809T86.4Confident64.3Low17 Ų1773.3 Ų73.310%0.10440%0.399CS..EExtended strand (participates in β ladder)trans-111.9148.8171.1-164.90000110.8P703 P849 I850 I852P703-T809 PolarHBondContact O-OG1 2.75Å; T809-P849 WeakPolarHBondContact O-CA 3.24Å; T809-I850 HydrophobicContact CG2-CB 4.13Å; T809-I850 PolarHBondContact N-O 2.63Å; T809-I850 PolarHBondContact O-N 2.82Å; T809-I852 HydrophobicContact CG2-CD1 4.29Å; T809-I852 HydrophobicContact CG2-CG2 3.84Å
810I81.2Confident61.5Low20 Ų2078.7 Ų78.710%0.10344%0.436CS..  trans-124.6112.1-176.4-57.1-173.4000107.5I684 L688 Y705 I808 T812 P849I684-I810 HydrophobicContact CG2-CD1 3.44Å; I684-I810 VanDerWaalsContact CG2-CD1 3.44Å; L688-I810 HydrophobicContact CD1-CD1 3.83Å; L688-I810 HydrophobicContact CD1-CG2 4.26Å; L688-I810 HydrophobicContact CD2-CG2 4.3Å; Y705-I810 HydrophobicContact CD2-CD1 4.09Å; Y705-I810 HydrophobicContact CD2-CG1 4.27Å; Y705-I810 HydrophobicContact CE2-CD1 3.91Å; Y705-I810 HydrophobicContact CE2-CG1 4.18Å; I808-I810 HydrophobicContact CG2-CG1 4.5Å; I810-T812 PolarHBondContact O-N 2.93Å; I810-P849 HydrophobicContact CD1-CG 4.33Å; I810-P849 HydrophobicContact CG1-CB 4.07Å; I810-P849 HydrophobicContact CG1-CG 4.17Å
811Q64.3Low59.4Low93 Ų9385.3 Ų85.344%0.43546%0.46SS..  trans-76.5104.4179.2-69-176.8-14.200109.7C813 I847Q811-C813 PolarHBondContact O-N 2.78Å; Q811-I847 HydrophobicContact CB-CG2 4.16Å
812T52.3Low57.4Low84 Ų8487.1 Ų87.152%0.51547%0.466SS..  trans-74109.2168.941.70000109.6I810 N814I810-T812 PolarHBondContact O-N 2.93Å; T812-N814 PolarHBondContact O-N 2.95Å; T812-N814 VanDerWaalsContact O-N 3.12Å
813C38.4Very low55Low89 Ų8994.3 Ų94.360%0.60151%0.505SS*.  trans-70.5104.7175.753.10000110.6Q811 D815 I847Q811-C813 PolarHBondContact O-N 2.78Å; C813-D815 PolarHBondContact O-N 2.83Å; C813-I847 HydrophobicContact CB-CD1 4.34Å
814N31.1Very low52.6Low126 Ų12699.5 Ų99.567%0.67453%0.532SS*.  trans-72.5119.6166.6-78-28.7000109.2T812 N816T812-N814 PolarHBondContact O-N 2.95Å; T812-N814 VanDerWaalsContact O-N 3.12Å; N814-N816 PolarHBondContact O-N 2.86Å
815D31.7Very low50.1Low149 Ų149102.8 Ų102.880%0.79756%0.558SS**THydrogen-bonded Turntrans-65.713.8-172.6-72.6-51.2000116.3C813C813-D815 PolarHBondContact O-N 2.83Å
816N30.9Very low47.6Very low150 Ų150109 Ų10980%0.80259%0.591SS**THydrogen-bonded Turntrans-98.61.8-170.6-71.2-31.6000115.2N814N814-N816 PolarHBondContact O-N 2.86Å
817V32.9Very low44.9Very low130 Ų130116 Ų11679%0.78863%0.629SS**SBendtrans-108.67.1-172.7-162.30000113.6
818L31.3Very low42.2Very low170 Ų170119.3 Ų119.389%0.8965%0.652SS**SBendtrans-108.120.1178.7-81162.4000114.3
819K27Very low39.4Very low197 Ų197124.5 Ų124.586%0.85768%0.683SS**SBendtrans-137.531-178-76.1-172.9178.6171.70115.9
820C25.6Very low36.8Very low123 Ų123129.6 Ų129.683%0.83172%0.715SS**  trans-141.790.3169.3-90.20000111.9
821E29.3Very low34.3Very low195 Ų195133.6 Ų133.691%0.91174%0.74SS**  trans-178.383.2140.3-104.4175.9-171.200111
822K31.2Very low32.8Very low191 Ų191135.6 Ų135.683%0.8376%0.759SS**  trans-136135.9155.5-77.7-170.9176.51800107.3
823N32.3Very low31.7Very low153 Ų153136.3 Ų136.382%0.81877%0.767SS**  trans70.7126.4-169.5-33-36.1000110.5
824T34Very low31.4Very low134 Ų134138.6 Ų138.682%0.82278%0.778SS**  cis-164.814737-56.20000112.6
825A34.3Very low31.4Very low73 Ų73138.4 Ų138.460%0.60378%0.782SS**  trans68.1105.4155.300000123.7
826N35.5Very low31.3Very low140 Ų140138.5 Ų138.575%0.74978%0.781SS**  77121.2114.9-56.9-8.1000123.3
827N34.5Very low31.1Very low147 Ų147139.2 Ų139.279%0.78679%0.785SS**  trans65.3121.3143.2-50.8-9000117.6
828T32.7Very low30.8Very low125 Ų125141.6 Ų141.677%0.76779%0.788SS**  cis-163.3149.244.4-54.80000112.4
829T31.2Very low30.8Very low109 Ų109139.4 Ų139.467%0.66979%0.786SS**  trans-7.2137156.6-21.50000116.9
830T31.7Very low30.7Very low124 Ų124135.9 Ų135.976%0.76179%0.787SS**  -164.5117.158.9-52.70000115.8
831T29Very low30.8Very low103 Ų103135.5 Ų135.563%0.63279%0.785SS**  trans25.1112.5131.6-37.30000122.3
832T32.4Very low30.5Very low136 Ų136132.4 Ų132.483%0.83479%0.785SS**  170.4146.711539.20000109.8
833S28.2Very low30.4Very low98 Ų98128.4 Ų128.469%0.68578%0.781SS**  cis154101.8-30.3-88.20000109.2
834T32.1Very low30.1Very low137 Ų137126.6 Ų126.684%0.8478%0.78SS**  trans-173.4141.1141.526.40000111.7
835T32.2Very low29.8Very low122 Ų122128.3 Ų128.375%0.74878%0.784SS**  trans29106.6155.354.70000117.7
836I29.5Very low30.1Very low151 Ų151129.8 Ų129.877%0.77479%0.789SS**  cis53.2103.947-48.7-180000113.2
837D26.6Very low31.5Very low166 Ų166127.5 Ų127.589%0.88878%0.776SS**  trans-137.1145.5135.6-128.3-31.1000107.9
838Q27.1Very low33.6Very low180 Ų180124.9 Ų124.984%0.84176%0.755SS**  trans-137.8108.5-178.2-75.1-170.22.600111.6
839S29.8Very low36.1Very low123 Ų123119.8 Ų119.886%0.8673%0.725SS**  trans-133.8109.6166.756.30000110.9
840S25.6Very low38.9Very low124 Ų124116.6 Ų116.687%0.86770%0.703SS**  trans-74.9139-170.353.90000114.8
841S27.5Very low41.8Very low115 Ų115110.8 Ų110.880%0.80467%0.667SS**  trans-153.3115.9139.764.10000110.8
842S24.2Very low44.7Very low130 Ų130109.6 Ų109.691%0.90966%0.656SS**  trans-86.5118-177.954.70000112.2
843S27.3Very low47.4Very low107 Ų107103.7 Ų103.775%0.74862%0.622SS**  trans-118.2144.3165.556.80000110.2L845S843-L845 PolarHBondContact O-N 3.3Å
844S26.5Very low50.3Low114 Ų114101 Ų10180%0.79760%0.598SS**  trans-64121.3-177.251.40000111.7S846S844-S846 VanDerWaalsContact C-N 3.34Å; S844-S846 PolarHBondContact O-N 3.39Å
845L28.6Very low52.7Low170 Ų17098.9 Ų98.989%0.8958%0.577SS**  trans-70.583.6177.1-76.3163000111.5S843 I847S843-L845 PolarHBondContact O-N 3.3Å; L845-I847 PolarHBondContact O-N 3.24Å; L845-I847 VanDerWaalsContact O-N 3.14Å
846S39.5Very low55Low104 Ų10497.7 Ų97.773%0.72756%0.563SS**  trans-68.6103.2165.856.80000109.3S844 R848S844-S846 VanDerWaalsContact C-N 3.34Å; S844-S846 PolarHBondContact O-N 3.39Å; S846-R848 PolarHBondContact O-N 2.73Å
847I64.5Low57.1Low93 Ų9393 Ų9348%0.47754%0.538SS..PPolyproline II helixtrans-60.5129179.1-57175.1000109.2Q811 C813 L845Q811-I847 HydrophobicContact CB-CG2 4.16Å; C813-I847 HydrophobicContact CB-CD1 4.34Å; L845-I847 PolarHBondContact O-N 3.24Å; L845-I847 VanDerWaalsContact O-N 3.14Å
848R78.5Confident59.3Low91 Ų9187.8 Ų87.834%0.34351%0.51SS..PPolyproline II helixtrans-78.6148.9176.4-72.6177.2170.5179.7-1.9111.1D742 S846D742-R848 WeakPolarHBondContact OD1-CD 3.39Å; D742-R848 IonicContact OD1-CZ 3.74Å; D742-R848 IonicContact OD1-NH1 2.79Å; D742-R848 PolarHBondContact OD1-NH1 2.82Å; D742-R848 WeakPolarHBondContact OD2-CD 3.47Å; S846-R848 PolarHBondContact O-N 2.73Å
849P86.9Confident61.1Low19 Ų1983.5 Ų83.512%0.12349%0.49CS..PPolyproline II helixtrans-51149161.8-26.135.5000111.8L739 L741 D742 I808 T809 I810L739-P849 HydrophobicContact CD1-CG 4.04Å; L739-P849 HydrophobicContact CD2-CB 4.24Å; L739-P849 HydrophobicContact CD2-CG 4.24Å; L739-P849 HydrophobicContact CG-CG 4.23Å; L741-P849 VanDerWaalsContact CA-O 3.29Å; L741-P849 WeakPolarHBondContact CA-O 3.16Å; L741-P849 HydrophobicContact CB-CB 4.15Å; L741-P849 VanDerWaalsContact CB-O 3.29Å; L741-P849 WeakPolarHBondContact CB-O 3.45Å; D742-P849 PolarHBondContact N-O 3.46Å; I808-P849 HydrophobicContact CG2-CB 3.68Å; T809-P849 WeakPolarHBondContact O-CA 3.24Å; I810-P849 HydrophobicContact CD1-CG 4.33Å; I810-P849 HydrophobicContact CG1-CB 4.07Å; I810-P849 HydrophobicContact CG1-CG 4.17Å
850I89.2Confident62.9Low42 Ų4281.5 Ų81.522%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-113.6127.4178.7-54.7175.9000109D742 A744 I808 T809 I852D742-I850 CarbonylContact O-C 3.52Å; D742-I850 VanDerWaalsContact O-CA 3.31Å; D742-I850 WeakPolarHBondContact O-CA 3.11Å; A744-I850 HydrophobicContact CB-CG2 4.15Å; I808-I850 WeakPolarHBondContact CA-O 3.27Å; T809-I850 HydrophobicContact CG2-CB 4.13Å; T809-I850 PolarHBondContact N-O 2.63Å; T809-I850 PolarHBondContact O-N 2.82Å; I850-I852 HydrophobicContact CB-CG2 4.29Å; I850-I852 HydrophobicContact CG2-CG2 3.8Å; I850-I852 PolarHBondContact O-N 3.49Å
851L91.9Very high64.9Low1 Ų177.2 Ų77.21%0.00544%0.44CS..EExtended strand (participates in β ladder)trans-80.1115.3169.2179.869.3000109.3L741 D742 V743 A744 L747 W751 F806 I808 G853L741-L851 HydrophobicContact CD1-CB 3.47Å; L741-L851 VanDerWaalsContact CD1-CB 3.47Å; L741-L851 HydrophobicContact CD1-CD2 4.37Å; L741-L851 HydrophobicContact CD2-CB 4.13Å; L741-L851 HydrophobicContact CG-CB 4.44Å; D742-L851 PolarHBondContact O-N 2.74Å; V743-L851 HydrophobicContact CG1-CD2 4.37Å; V743-L851 HydrophobicContact CG2-CD2 4.34Å; A744-L851 VanDerWaalsContact CB-O 3.31Å; A744-L851 WeakPolarHBondContact CB-O 3.24Å; A744-L851 PolarHBondContact N-O 2.71Å; L747-L851 HydrophobicContact CD2-CD2 4.05Å; L747-L851 HydrophobicContact CD2-CG 3.81Å; W751-L851 HydrophobicContact CH2-CD2 3.71Å; W751-L851 HydrophobicContact CZ2-CD2 4.45Å; F806-L851 HydrophobicContact CB-CD1 3.63Å; F806-L851 HydrophobicContact CD1-CD1 3.75Å; F806-L851 HydrophobicContact CD1-CD2 3.95Å; F806-L851 HydrophobicContact CE1-CD2 4.31Å; F806-L851 HydrophobicContact CG-CD1 4.06Å; I808-L851 HydrophobicContact CG1-CD1 3.77Å; L851-G853 WeakPolarHBondContact CD1-O 3.32Å
852I91Very high66.8Low78 Ų7875.5 Ų75.540%0.442%0.421SS..EExtended strand (participates in β ladder)trans-114.4-0.3-171.959.1164000113.7V704 N807 T809 I850V704-I852 HydrophobicContact CG1-CD1 4.07Å; V704-I852 HydrophobicContact CG2-CD1 3.86Å; N807-I852 HydrophobicContact CB-CG1 4.32Å; N807-I852 WeakPolarHBondContact O-CG1 3.48Å; N807-I852 PolarHBondContact O-N 2.76Å; T809-I852 HydrophobicContact CG2-CD1 4.29Å; T809-I852 HydrophobicContact CG2-CG2 3.84Å; I850-I852 HydrophobicContact CB-CG2 4.29Å; I850-I852 HydrophobicContact CG2-CG2 3.8Å; I850-I852 PolarHBondContact O-N 3.49Å
853G88.3Confident69Low12 Ų1274.9 Ų74.912%0.12440%0.402CS..EExtended strand (participates in β ladder)trans-175.5160.4172.500000113.4N807 L851N807-G853 PolarHBondContact N-O 3Å; N807-G853 PolarHBondContact O-N 3.13Å; L851-G853 WeakPolarHBondContact CD1-O 3.32Å
854Y89.4Confident71.1Confident42 Ų4272.9 Ų72.917%0.16538%0.381CS..EExtended strand (participates in β ladder)trans-140.7146.4179.5166.1-101.4000110.7W751 F798 L802 G803 L805 F806 E856W751-Y854 HydrophobicContact CZ2-CD1 4.46Å; W751-Y854 HydrophobicContact CZ2-CG 4.1Å; F798-Y854 HydrophobicContact CE2-CE1 4.16Å; F798-Y854 HydrophobicContact CZ-CD1 4.14Å; F798-Y854 AromaticContact CZ-CE1 3.76Å; F798-Y854 HydrophobicContact CZ-CE1 3.76Å; L802-Y854 HydrophobicContact CD1-CD1 4.29Å; L802-Y854 HydrophobicContact CD1-CD2 4.05Å; L802-Y854 HydrophobicContact CD1-CE1 3.92Å; L802-Y854 HydrophobicContact CD1-CE2 3.65Å; L802-Y854 HydrophobicContact CD1-CG 4.34Å; L802-Y854 HydrophobicContact CG-CE2 4.19Å; G803-Y854 PolarHBondContact O-OH 3.37Å; L805-Y854 CarbonylContact O-C 3.6Å; L805-Y854 VanDerWaalsContact O-CA 3.29Å; L805-Y854 WeakPolarHBondContact O-CA 3.41Å; F806-Y854 AromaticContact CD1-CD2 3.81Å; F806-Y854 HydrophobicContact CD1-CD2 3.81Å; F806-Y854 AromaticContact CE1-CD2 3.55Å; F806-Y854 HydrophobicContact CE1-CD2 3.55Å; F806-Y854 HydrophobicContact CE1-CE2 4.05Å; F806-Y854 HydrophobicContact CZ-CD2 4.38Å; F806-Y854 HydrophobicContact CZ-CE2 4.48Å; Y854-E856 HydrophobicContact CE1-CB 4.28Å
855K83.2Confident73.1Confident93 Ų9369.6 Ų69.640%0.40435%0.354SS..EExtended strand (participates in β ladder)trans-140.7125.3167.2-170.3170.4-179.4177.70109.3L805 E864L805-K855 PolarHBondContact N-O 2.92Å; L805-K855 PolarHBondContact O-N 2.96Å; K855-E864 IonicContact NZ-OE2 3.05Å; K855-E864 PolarHBondContact NZ-OE2 3.41Å
856E80.6Confident75.1Confident97 Ų9766.3 Ų66.345%0.45333%0.334SS..  trans-65.2146.4172.2-170.1174162.400110.4Y854 D858Y854-E856 HydrophobicContact CE1-CB 4.28Å; E856-D858 PolarHBondContact O-N 3.36Å
857M73.2Confident76.8Confident53 Ų5366.4 Ų66.426%0.26133%0.327SS..  trans-90.376.3178.8-73.3-173.863.800111.3R708 L805 W861R708-M857 VanDerWaalsContact CD-SD 3.57Å; R708-M857 HydrophobicContact CG-SD 3.72Å; R708-M857 PolarHBondContact NE-SD 3.2Å; L805-M857 HydrophobicContact CD1-CG 4.4Å; L805-M857 HydrophobicContact CD2-SD 4.31Å; L805-M857 HydrophobicContact CG-CG 4.02Å; L805-M857 HydrophobicContact CG-SD 4.28Å; M857-W861 HydrophobicContact CE-CE3 4.05Å; M857-W861 HydrophobicContact CE-CH2 4.21Å; M857-W861 HydrophobicContact CE-CZ3 3.63Å
858D71.7Confident77Confident56 Ų5667 Ų6730%0.29932%0.323SS..  trans-91.4-179.3-178.491.3-53.7000113.2E856 C860 W861 L862E856-D858 PolarHBondContact O-N 3.36Å; D858-C860 VanDerWaalsContact C-N 3.27Å; D858-C860 PolarHBondContact O-N 3.02Å; D858-C860 WeakPolarHBondContact OD1-CB 3.32Å; D858-C860 PolarHBondContact OD1-N 3.38Å; D858-C860 WeakPolarHBondContact OD2-CA 3.31Å; D858-C860 WeakPolarHBondContact OD2-CB 3.29Å; D858-C860 PolarHBondContact OD2-N 3.06Å; D858-C860 PolarHBondContact OD2-SG 3.12Å; D858-W861 PolarHBondContact O-N 3.23Å; D858-W861 PolarHBondContact OD1-N 3.03Å; D858-L862 PolarHBondContact O-N 3.06Å
859Q66.7Low76.6Confident89 Ų8965.1 Ų65.142%0.41632%0.319SS..Hα-helixtrans-63-32174.2-71-164.814.100113.3L422 L862 K863L422-Q859 HydrophobicContact CD2-CG 3.62Å; Q859-L862 PolarHBondContact O-N 3.2Å; Q859-K863 WeakPolarHBondContact O-CB 3.28Å; Q859-K863 WeakPolarHBondContact O-CD 3.38Å; Q859-K863 VanDerWaalsContact O-CG 3.25Å; Q859-K863 WeakPolarHBondContact O-CG 3.3Å; Q859-K863 PolarHBondContact O-N 3.18Å; Q859-K863 VanDerWaalsContact OE1-NZ 3.07Å
860C66.8Low75.9Confident81 Ų8167.8 Ų67.855%0.54733%0.333SS..Hα-helixtrans-69.2-41.5179.9-55.30000110.4D858 L862 K863 E864D858-C860 VanDerWaalsContact C-N 3.27Å; D858-C860 PolarHBondContact O-N 3.02Å; D858-C860 WeakPolarHBondContact OD1-CB 3.32Å; D858-C860 PolarHBondContact OD1-N 3.38Å; D858-C860 WeakPolarHBondContact OD2-CA 3.31Å; D858-C860 WeakPolarHBondContact OD2-CB 3.29Å; D858-C860 PolarHBondContact OD2-N 3.06Å; D858-C860 PolarHBondContact OD2-SG 3.12Å; C860-L862 PolarHBondContact O-N 2.84Å; C860-K863 PolarHBondContact O-N 3.33Å; C860-E864 VanDerWaalsContact O-CB 3.31Å; C860-E864 WeakPolarHBondContact O-CB 3.28Å; C860-E864 PolarHBondContact O-N 3.08Å
861W68.6Low75.2Confident35 Ų3568.5 Ų68.513%0.13335%0.345CS..Hα-helixtrans-60.6-43.2172-173.585.1000112.3L805 M857 D858 K863 E864 L865L805-W861 HydrophobicContact CD1-CD2 4.27Å; L805-W861 VanDerWaalsContact CD1-CE2 3.47Å; L805-W861 HydrophobicContact CD1-CH2 4.48Å; L805-W861 HydrophobicContact CD1-CZ2 3.61Å; M857-W861 HydrophobicContact CE-CE3 4.05Å; M857-W861 HydrophobicContact CE-CH2 4.21Å; M857-W861 HydrophobicContact CE-CZ3 3.63Å; D858-W861 PolarHBondContact O-N 3.23Å; D858-W861 PolarHBondContact OD1-N 3.03Å; W861-K863 PolarHBondContact O-N 2.66Å; W861-E864 PolarHBondContact O-N 3.34Å; W861-L865 HydrophobicContact CH2-CD2 3.69Å; W861-L865 HydrophobicContact CH2-CG 4.47Å; W861-L865 HydrophobicContact CZ2-CD2 4.46Å; W861-L865 HydrophobicContact CZ3-CB 4.48Å; W861-L865 HydrophobicContact CZ3-CD2 3.74Å; W861-L865 WeakPolarHBondContact O-CB 3.49Å; W861-L865 PolarHBondContact O-N 3.06Å
862L66Low74Confident78 Ų7871.8 Ų71.841%0.40836%0.362SS..Hα-helixtrans-63.6-39.8176.1-74.4169.2000112.4D858 Q859 C860 Q866D858-L862 PolarHBondContact O-N 3.06Å; Q859-L862 PolarHBondContact O-N 3.2Å; C860-L862 PolarHBondContact O-N 2.84Å; L862-Q866 WeakPolarHBondContact O-CB 3.46Å; L862-Q866 PolarHBondContact O-N 3.03Å
863K70.9Confident72.9Confident117 Ų11776.4 Ų76.451%0.50938%0.376SS..Hα-helixtrans-67.1-42173.6-70.8163.6-170.1163.70111.7Q859 C860 W861 Q866 N867Q859-K863 WeakPolarHBondContact O-CB 3.28Å; Q859-K863 WeakPolarHBondContact O-CD 3.38Å; Q859-K863 VanDerWaalsContact O-CG 3.25Å; Q859-K863 WeakPolarHBondContact O-CG 3.3Å; Q859-K863 PolarHBondContact O-N 3.18Å; Q859-K863 VanDerWaalsContact OE1-NZ 3.07Å; C860-K863 PolarHBondContact O-N 3.33Å; W861-K863 PolarHBondContact O-N 2.66Å; K863-Q866 PolarHBondContact O-N 3.06Å; K863-N867 WeakPolarHBondContact O-CB 3.06Å; K863-N867 PolarHBondContact O-N 3.17Å; K863-N867 PolarHBondContact O-ND2 3.44Å
864E71.9Confident72Confident66 Ų6679.9 Ų79.931%0.30839%0.394SS..Hα-helixtrans-59.3-48.2175.3-165.1-152.8135.600110.6K855 C860 W861 N867 R868K855-E864 IonicContact NZ-OE2 3.05Å; K855-E864 PolarHBondContact NZ-OE2 3.41Å; C860-E864 VanDerWaalsContact O-CB 3.31Å; C860-E864 WeakPolarHBondContact O-CB 3.28Å; C860-E864 PolarHBondContact O-N 3.08Å; W861-E864 PolarHBondContact O-N 3.34Å; E864-N867 PolarHBondContact O-N 2.85Å; E864-R868 WeakPolarHBondContact O-CB 3.27Å; E864-R868 VanDerWaalsContact O-CG 3.23Å; E864-R868 WeakPolarHBondContact O-CG 3.4Å; E864-R868 PolarHBondContact O-N 3.41Å; E864-R868 IonicContact OE1-CZ 3.62Å; E864-R868 IonicContact OE1-NH1 3.72Å; E864-R868 PolarHBondContact OE1-NH1 2.91Å
865L67.2Low71Confident44 Ų4483.5 Ų83.523%0.2341%0.413CS..Hα-helixtrans-60-50.8175.9-179.770000111.4F675 W861 N867 R868 I869F675-L865 HydrophobicContact CE2-CD1 4.13Å; F675-L865 HydrophobicContact CZ-CD1 3.93Å; W861-L865 HydrophobicContact CH2-CD2 3.69Å; W861-L865 HydrophobicContact CH2-CG 4.47Å; W861-L865 HydrophobicContact CZ2-CD2 4.46Å; W861-L865 HydrophobicContact CZ3-CB 4.48Å; W861-L865 HydrophobicContact CZ3-CD2 3.74Å; W861-L865 WeakPolarHBondContact O-CB 3.49Å; W861-L865 PolarHBondContact O-N 3.06Å; L865-N867 VanDerWaalsContact C-N 3.32Å; L865-N867 PolarHBondContact O-N 3.27Å; L865-R868 PolarHBondContact O-N 3.37Å; L865-I869 HydrophobicContact CD1-CD1 3.98Å; L865-I869 HydrophobicContact CD1-CG1 4.31Å; L865-I869 HydrophobicContact CD2-CD1 4.29Å; L865-I869 HydrophobicContact CG-CD1 3.77Å; L865-I869 HydrophobicContact CG-CG1 4.4Å; L865-I869 WeakPolarHBondContact O-CB 3.45Å; L865-I869 WeakPolarHBondContact O-CG1 3.39Å; L865-I869 PolarHBondContact O-N 3.47Å
866Q71.2Confident70.2Confident101 Ų10186.5 Ų86.547%0.47243%0.426SS..Hα-helixtrans-59.9-42.7-179.7-173.264.360.500111.6L862 K863 R868 I869 N870L862-Q866 WeakPolarHBondContact O-CB 3.46Å; L862-Q866 PolarHBondContact O-N 3.03Å; K863-Q866 PolarHBondContact O-N 3.06Å; Q866-R868 PolarHBondContact O-N 3.43Å; Q866-I869 PolarHBondContact O-N 2.79Å; Q866-N870 PolarHBondContact NE2-OD1 2.78Å; Q866-N870 WeakPolarHBondContact O-CB 3.45Å; Q866-N870 PolarHBondContact O-N 3.45Å; Q866-N870 PolarHBondContact O-ND2 3.15Å; Q866-N870 PolarHBondContact O-OD1 3.39Å
867N75.8Confident69.5Low107 Ų10784.5 Ų84.557%0.57242%0.422SS*.Hα-helixtrans-63.3-41.7177.1-71.1-16.1000111.8K863 E864 L865 N870 A871K863-N867 WeakPolarHBondContact O-CB 3.06Å; K863-N867 PolarHBondContact O-N 3.17Å; K863-N867 PolarHBondContact O-ND2 3.44Å; E864-N867 PolarHBondContact O-N 2.85Å; L865-N867 VanDerWaalsContact C-N 3.32Å; L865-N867 PolarHBondContact O-N 3.27Å; N867-N870 PolarHBondContact O-N 3.11Å; N867-A871 WeakPolarHBondContact O-CB 3.39Å; N867-A871 PolarHBondContact O-N 3.31Å
868R69.1Low68.9Low104 Ų10486.7 Ų86.739%0.39244%0.435SS..Hα-helixtrans-68.8-38.2177.4-69.5169.371.7164.54.2112.3E864 L865 Q866 A871 L872E864-R868 WeakPolarHBondContact O-CB 3.27Å; E864-R868 VanDerWaalsContact O-CG 3.23Å; E864-R868 WeakPolarHBondContact O-CG 3.4Å; E864-R868 PolarHBondContact O-N 3.41Å; E864-R868 IonicContact OE1-CZ 3.62Å; E864-R868 IonicContact OE1-NH1 3.72Å; E864-R868 PolarHBondContact OE1-NH1 2.91Å; L865-R868 PolarHBondContact O-N 3.37Å; Q866-R868 PolarHBondContact O-N 3.43Å; R868-A871 PolarHBondContact O-N 2.95Å; R868-L872 WeakPolarHBondContact O-CG 3.42Å; R868-L872 PolarHBondContact O-N 2.77Å; R868-L872 VanDerWaalsContact O-N 3.09Å
869I69Low68.5Low52 Ų5289 Ų8927%0.26745%0.447SS..Hα-helixtrans-62.9-47.8172.2-71.3173000110.4L865 Q866 A871 L872 Y873L865-I869 HydrophobicContact CD1-CD1 3.98Å; L865-I869 HydrophobicContact CD1-CG1 4.31Å; L865-I869 HydrophobicContact CD2-CD1 4.29Å; L865-I869 HydrophobicContact CG-CD1 3.77Å; L865-I869 HydrophobicContact CG-CG1 4.4Å; L865-I869 WeakPolarHBondContact O-CB 3.45Å; L865-I869 WeakPolarHBondContact O-CG1 3.39Å; L865-I869 PolarHBondContact O-N 3.47Å; Q866-I869 PolarHBondContact O-N 2.79Å; I869-A871 VanDerWaalsContact C-N 3.31Å; I869-A871 PolarHBondContact O-N 3.2Å; I869-L872 PolarHBondContact O-N 3.33Å; I869-Y873 HydrophobicContact CG2-CD2 3.72Å; I869-Y873 HydrophobicContact CG2-CE2 3.77Å; I869-Y873 WeakPolarHBondContact O-CD2 3.36Å; I869-Y873 PolarHBondContact O-N 3.34Å
870N73.1Confident68.3Low75 Ų7587.8 Ų87.840%0.40145%0.448SS..Hα-helixtrans-59.7-39.7178-68.9-7.9000112.3Q866 N867 Y873 T874Q866-N870 PolarHBondContact NE2-OD1 2.78Å; Q866-N870 WeakPolarHBondContact O-CB 3.45Å; Q866-N870 PolarHBondContact O-N 3.45Å; Q866-N870 PolarHBondContact O-ND2 3.15Å; Q866-N870 PolarHBondContact O-OD1 3.39Å; N867-N870 PolarHBondContact O-N 3.11Å; N870-Y873 PolarHBondContact O-N 2.96Å; N870-T874 WeakPolarHBondContact O-CB 3.42Å; N870-T874 PolarHBondContact O-N 3.34Å; N870-T874 PolarHBondContact O-OG1 3.22Å
871A73.1Confident68.2Low57 Ų5789.7 Ų89.747%0.47145%0.447SS..Hα-helixtrans-61.7-49.5174.200000111.6N867 R868 I869 Y873 T874 E875N867-A871 WeakPolarHBondContact O-CB 3.39Å; N867-A871 PolarHBondContact O-N 3.31Å; R868-A871 PolarHBondContact O-N 2.95Å; I869-A871 VanDerWaalsContact C-N 3.31Å; I869-A871 PolarHBondContact O-N 3.2Å; A871-Y873 VanDerWaalsContact C-N 3.33Å; A871-Y873 PolarHBondContact O-N 3.26Å; A871-T874 WeakPolarHBondContact O-CB 3.13Å; A871-T874 PolarHBondContact O-N 2.92Å; A871-T874 VanDerWaalsContact O-N 3.08Å; A871-E875 WeakPolarHBondContact O-CB 3.41Å; A871-E875 PolarHBondContact O-N 3.11Å
872L67.4Low67.8Low70 Ų7094 Ų9437%0.36647%0.47SS..Hα-helixtrans-62.5-35.2178.6-71.1169000113.3F675 R868 I869 K876F675-L872 HydrophobicContact CD1-CD1 4.41Å; R868-L872 WeakPolarHBondContact O-CG 3.42Å; R868-L872 PolarHBondContact O-N 2.77Å; R868-L872 VanDerWaalsContact O-N 3.09Å; I869-L872 PolarHBondContact O-N 3.33Å; L872-K876 WeakPolarHBondContact O-CB 3.49Å; L872-K876 WeakPolarHBondContact O-CG 3.47Å; L872-K876 PolarHBondContact O-N 2.94Å
873Y68.2Low67.5Low176 Ų17697.5 Ų97.569%0.6948%0.482SS*.Hα-helixtrans-67.1-39.5171.9-91-76.5000112.3I869 N870 A871 S877I869-Y873 HydrophobicContact CG2-CD2 3.72Å; I869-Y873 HydrophobicContact CG2-CE2 3.77Å; I869-Y873 WeakPolarHBondContact O-CD2 3.36Å; I869-Y873 PolarHBondContact O-N 3.34Å; N870-Y873 PolarHBondContact O-N 2.96Å; A871-Y873 VanDerWaalsContact C-N 3.33Å; A871-Y873 PolarHBondContact O-N 3.26Å; Y873-S877 WeakPolarHBondContact O-CB 3.47Å; Y873-S877 PolarHBondContact O-N 3.25Å
874T69.8Low66.9Low84 Ų8497.5 Ų97.552%0.51548%0.484SS..Hα-helixtrans-66.7-46.4177.8-55.40000110.9N870 A871 S877 L878N870-T874 WeakPolarHBondContact O-CB 3.42Å; N870-T874 PolarHBondContact O-N 3.34Å; N870-T874 PolarHBondContact O-OG1 3.22Å; A871-T874 WeakPolarHBondContact O-CB 3.13Å; A871-T874 PolarHBondContact O-N 2.92Å; A871-T874 VanDerWaalsContact O-N 3.08Å; T874-S877 WeakPolarHBondContact O-CB 3.38Å; T874-S877 PolarHBondContact O-N 3.27Å; T874-L878 HydrophobicContact CG2-CD1 4.37Å; T874-L878 WeakPolarHBondContact O-CG 3.17Å; T874-L878 PolarHBondContact O-N 2.95Å
875E68.4Low66.1Low119 Ų119101.9 Ų101.956%0.55650%0.502SS*.Hα-helixtrans-60.4-47.9177.2-174175.7-149.100111.6A871 S877 L878 L879A871-E875 WeakPolarHBondContact O-CB 3.41Å; A871-E875 PolarHBondContact O-N 3.11Å; E875-S877 VanDerWaalsContact C-N 3.32Å; E875-S877 PolarHBondContact O-N 3.44Å; E875-L878 PolarHBondContact O-N 3.11Å; E875-L879 PolarHBondContact O-N 3.04Å
876K65.5Low65.6Low156 Ų156106 Ų10668%0.67852%0.524SS*.Hα-helixtrans-61.6-36.3174.3-76.2-177.3176.2-1780113.1L872 L879 S880L872-K876 WeakPolarHBondContact O-CB 3.49Å; L872-K876 WeakPolarHBondContact O-CG 3.47Å; L872-K876 PolarHBondContact O-N 2.94Å; K876-L879 PolarHBondContact O-N 3.05Å; K876-S880 PolarHBondContact O-N 3.45Å
877S65.3Low64.7Low54 Ų54107.6 Ų107.638%0.37853%0.534SS..Hα-helixtrans-65.9-40.6175.7-170.90000112.1Y873 T874 E875 S880 K881Y873-S877 WeakPolarHBondContact O-CB 3.47Å; Y873-S877 PolarHBondContact O-N 3.25Å; T874-S877 WeakPolarHBondContact O-CB 3.38Å; T874-S877 PolarHBondContact O-N 3.27Å; E875-S877 VanDerWaalsContact C-N 3.32Å; E875-S877 PolarHBondContact O-N 3.44Å; S877-S880 PolarHBondContact O-N 3.21Å; S877-K881 WeakPolarHBondContact O-CG 3.46Å; S877-K881 PolarHBondContact O-N 3.18Å; S877-K881 VanDerWaalsContact O-N 3.14Å
878L62Low63.5Low100 Ų100109.6 Ų109.652%0.52455%0.545SS..Hα-helixtrans-66.8-42.7174.6-69.2171.6000111.7T874 E875 S880 K881 M882T874-L878 HydrophobicContact CG2-CD1 4.37Å; T874-L878 WeakPolarHBondContact O-CG 3.17Å; T874-L878 PolarHBondContact O-N 2.95Å; E875-L878 PolarHBondContact O-N 3.11Å; L878-S880 VanDerWaalsContact C-N 3.31Å; L878-S880 PolarHBondContact O-N 3.37Å; L878-K881 PolarHBondContact O-N 3.39Å; L878-M882 WeakPolarHBondContact O-CG 3.47Å; L878-M882 PolarHBondContact O-N 3.16Å
879L62.8Low62Low105 Ų105115.8 Ų115.855%0.5558%0.578SS.*Hα-helixtrans-62.1-37176.5-129.574.5000112.4E875 K876 K883E875-L879 PolarHBondContact O-N 3.04Å; K876-L879 PolarHBondContact O-N 3.05Å; L879-K883 PolarHBondContact O-N 2.97Å; L879-K883 VanDerWaalsContact O-N 3.08Å
880S63.6Low61.7Low63 Ų63119 Ų11944%0.44159%0.594SS.*Hα-helixtrans-63.8-48.7173.9-160.50000111.3K876 S877 L878 M882 K883 E884K876-S880 PolarHBondContact O-N 3.45Å; S877-S880 PolarHBondContact O-N 3.21Å; L878-S880 VanDerWaalsContact C-N 3.31Å; L878-S880 PolarHBondContact O-N 3.37Å; S880-M882 VanDerWaalsContact C-N 3.31Å; S880-M882 PolarHBondContact O-N 3.09Å; S880-K883 PolarHBondContact O-N 3.34Å; S880-E884 PolarHBondContact O-N 3.37Å
881K63.6Low61.1Low120 Ų120121.3 Ų121.352%0.52260%0.604SS.*Hα-helixtrans-65.7-30.5179.8-71.3170.8179.8173.10113.5S877 L878 K885S877-K881 WeakPolarHBondContact O-CG 3.46Å; S877-K881 PolarHBondContact O-N 3.18Å; S877-K881 VanDerWaalsContact O-N 3.14Å; L878-K881 PolarHBondContact O-N 3.39Å; K881-K885 PolarHBondContact O-N 3.02Å; K881-K885 VanDerWaalsContact O-N 3.15Å
882M59.7Low60.4Low126 Ų126124.8 Ų124.862%0.62161%0.612SS**Hα-helixtrans-70.9-37.4171-75.8-179.416600112L878 S880 K885 N886L878-M882 WeakPolarHBondContact O-CG 3.47Å; L878-M882 PolarHBondContact O-N 3.16Å; S880-M882 VanDerWaalsContact C-N 3.31Å; S880-M882 PolarHBondContact O-N 3.09Å; M882-K885 PolarHBondContact O-N 2.9Å; M882-N886 PolarHBondContact O-N 2.88Å; M882-N886 VanDerWaalsContact O-N 3.1Å
883K60.4Low60Low151 Ų151128.1 Ų128.166%0.65763%0.626SS**Hα-helixtrans-68.5-37.6174.1-78.3-170.4173-168.40113.1L879 S880 I887L879-K883 PolarHBondContact O-N 2.97Å; L879-K883 VanDerWaalsContact O-N 3.08Å; S880-K883 PolarHBondContact O-N 3.34Å; K883-I887 WeakPolarHBondContact O-CD1 3.47Å; K883-I887 WeakPolarHBondContact O-CG1 3.31Å
884E57.2Low59.5Low118 Ų118125.1 Ų125.155%0.55162%0.622SS**Hα-helixtrans-62.6-46.8173.4-70.9168.3141.500110.8S880 N886 I887S880-E884 PolarHBondContact O-N 3.37Å; E884-N886 PolarHBondContact O-N 3.08Å; E884-I887 PolarHBondContact O-N 2.7Å; E884-I887 VanDerWaalsContact O-N 3.16Å
885K56.4Low58.8Low158 Ų158127.8 Ų127.869%0.68763%0.629SS**Hα-helixtrans-63.2-35.8178.1-80.2-165.3166.7-157.20114.8K881 M882 I887 D888K881-K885 PolarHBondContact O-N 3.02Å; K881-K885 VanDerWaalsContact O-N 3.15Å; M882-K885 PolarHBondContact O-N 2.9Å; K885-I887 PolarHBondContact O-N 2.87Å; K885-D888 PolarHBondContact O-N 2.98Å
886N55.4Low58.1Low129 Ų129128.4 Ų128.469%0.6963%0.634SS**THydrogen-bonded Turntrans-79.417.2176.8-79.237.1000113.7M882 E884M882-N886 PolarHBondContact O-N 2.88Å; M882-N886 VanDerWaalsContact O-N 3.1Å; E884-N886 PolarHBondContact O-N 3.08Å
887I53.4Low57.6Low135 Ų135126.3 Ų126.369%0.69263%0.631SS**THydrogen-bonded Turntrans-116.2-11.2171.7-67.4168000111.1K883 E884 K885K883-I887 WeakPolarHBondContact O-CD1 3.47Å; K883-I887 WeakPolarHBondContact O-CG1 3.31Å; E884-I887 PolarHBondContact O-N 2.7Å; E884-I887 VanDerWaalsContact O-N 3.16Å; K885-I887 PolarHBondContact O-N 2.87Å
888D50.4Low56.9Low150 Ų150132.3 Ų132.380%0.80265%0.652SS**  trans-102.85.4177.8-71.5-32.5000113.6K885K885-D888 PolarHBondContact O-N 2.98Å
889E38.4Very low56.5Low233 Ų233135.3 Ų135.3100%1.08966%0.664SS**  trans-114.60167.8-76.8-168.4159.200111.4

Retrieved 889 of 889 residues in 1121 ms (Link to these results)

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