A0A5K4F741_SCHMA Loading...

Actin-related protein 8

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A5K4F741, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 469 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
1M71.5Confident81.7Confident134 Ų13472.5 Ų72.566%0.6642%0.419SS*.  0147.10-73.3175.6-167.500108.7F5 L6 V15 L19M1-F5 CarbonylContact C-O 3.54Å; M1-F5 VanDerWaalsContact CA-O 3.23Å; M1-F5 WeakPolarHBondContact CA-O 3.28Å; M1-L6 HydrophobicContact CE-CD2 3.87Å; M1-L6 HydrophobicContact CG-CD2 3.77Å; M1-V15 HydrophobicContact CE-CG1 3.97Å; M1-L19 HydrophobicContact CE-CD1 4.06Å; M1-L19 HydrophobicContact CE-CD2 4.06Å; M1-L19 HydrophobicContact CE-CG 4.29Å
2R82Confident81.9Confident114 Ų11473.5 Ų73.543%0.4341%0.412SS..BIsolated β-bridgetrans-142.9133.3173.8-163.2-179.2-166.2160.214.7109.8G4 F5 E243R2-G4 PolarHBondContact O-N 3.13Å; R2-G4 VanDerWaalsContact O-N 3.1Å; R2-F5 PolarHBondContact N-O 2.98Å; R2-F5 PolarHBondContact O-N 2.86Å; R2-E243 IonicContact CZ-OE1 3.73Å; R2-E243 IonicContact CZ-OE2 2.68Å; R2-E243 IonicContact NE-OE1 2.93Å; R2-E243 IonicContact NE-OE2 2.75Å; R2-E243 IonicContact NH1-OE1 3.85Å; R2-E243 PolarHBondContact NH1-OE1 2.93Å; R2-E243 IonicContact NH1-OE2 3.54Å; R2-E243 IonicContact NH2-OE1 3.32Å; R2-E243 PolarHBondContact NH2-OE1 3.32Å; R2-E243 IonicContact NH2-OE2 3.85Å; R2-E243 PolarHBondContact NH2-OE2 3.37Å
3Y82.3Confident82.5Confident39 Ų3975.7 Ų75.715%0.15343%0.428CS..THydrogen-bonded Turntrans53.830.4-178.3-55.1-56.9000113.4F5 Q98 K99 P119 E243Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 WeakPolarHBondContact O-CD2 3.37Å; Y3-F5 PolarHBondContact O-N 3.38Å; Y3-Q98 HydrophobicContact CD1-CB 4.03Å; Y3-Q98 WeakPolarHBondContact CD1-O 3.45Å; Y3-Q98 HydrophobicContact CE1-CB 4.28Å; Y3-Q98 WeakPolarHBondContact CE1-O 3.34Å; Y3-K99 HydrophobicContact CD1-CB 4.21Å; Y3-K99 VanDerWaalsContact O-CD 3.29Å; Y3-K99 WeakPolarHBondContact O-CD 3.46Å; Y3-P119 HydrophobicContact CD1-CB 4.32Å; Y3-P119 HydrophobicContact CE1-CB 3.89Å; Y3-P119 HydrophobicContact CE2-CB 4.44Å; Y3-E243 HydrophobicContact CE2-CB 4.3Å; Y3-E243 HydrophobicContact CE2-CG 4.47Å; Y3-E243 PolarHBondContact OH-OE2 3.31Å
4G81.9Confident83.2Confident47 Ų4773.4 Ų73.449%0.48542%0.424SS..THydrogen-bonded Turntrans79.44.7-177.200000115.9R2R2-G4 PolarHBondContact O-N 3.13Å; R2-G4 VanDerWaalsContact O-N 3.1Å
5F88.4Confident83.7Confident21 Ų2170.3 Ų70.39%0.09241%0.406CS..BIsolated β-bridgetrans-114.1158.6177.3-58.4-68.6000112.4M1 R2 Y3 V50 K52 I117 T247M1-F5 CarbonylContact C-O 3.54Å; M1-F5 VanDerWaalsContact CA-O 3.23Å; M1-F5 WeakPolarHBondContact CA-O 3.28Å; R2-F5 PolarHBondContact N-O 2.98Å; R2-F5 PolarHBondContact O-N 2.86Å; Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 WeakPolarHBondContact O-CD2 3.37Å; Y3-F5 PolarHBondContact O-N 3.38Å; F5-V50 HydrophobicContact CZ-CG1 4.09Å; F5-K52 HydrophobicContact CB-CD 4.44Å; F5-K52 HydrophobicContact CD1-CD 3.69Å; F5-K52 HydrophobicContact CD1-CG 3.77Å; F5-K52 HydrophobicContact CE1-CD 4.32Å; F5-K52 HydrophobicContact CE1-CG 3.9Å; F5-K52 HydrophobicContact CG-CD 4.29Å; F5-I117 HydrophobicContact CE2-CD1 3.76Å; F5-I117 HydrophobicContact CZ-CD1 3.65Å; F5-T247 HydrophobicContact CE2-CG2 4.18Å; F5-T247 HydrophobicContact CZ-CG2 4.36Å
6L85.4Confident84.2Confident21 Ų2167.1 Ų67.111%0.1139%0.387CS..  trans-69.7138.1166.3-56.2-174000109.5M1 A10 Y12 V15 E55M1-L6 HydrophobicContact CE-CD2 3.87Å; M1-L6 HydrophobicContact CG-CD2 3.77Å; L6-A10 HydrophobicContact CB-CB 4.44Å; L6-Y12 HydrophobicContact CB-CE1 4.22Å; L6-Y12 HydrophobicContact CD1-CD1 3.43Å; L6-Y12 VanDerWaalsContact CD1-CD1 3.43Å; L6-Y12 HydrophobicContact CD1-CE1 3.5Å; L6-Y12 VanDerWaalsContact CD1-CE1 3.5Å; L6-Y12 HydrophobicContact CG-CE1 4.45Å; L6-V15 HydrophobicContact CD1-CG1 4.33Å; L6-V15 HydrophobicContact CD2-CG1 3.62Å; L6-V15 HydrophobicContact CD2-CG2 4.42Å; L6-E55 VanDerWaalsContact CB-OE1 3.32Å; L6-E55 WeakPolarHBondContact CB-OE1 3.46Å; L6-E55 HydrophobicContact CD1-CG 4.12Å; L6-E55 HydrophobicContact CG-CG 4.12Å; L6-E55 WeakPolarHBondContact CG-OE1 3.37Å; L6-E55 PolarHBondContact N-OE1 3.08Å
7S82.5Confident84.8Confident50 Ų5067.5 Ų67.535%0.3538%0.384SS..  trans-66147.3172.952.30000109.3S9 A10S7-S9 PolarHBondContact O-N 3Å; S7-S9 VanDerWaalsContact O-N 3.13Å; S7-A10 WeakPolarHBondContact O-CB 3.41Å; S7-A10 PolarHBondContact O-N 2.87Å; S7-A10 WeakPolarHBondContact OG-CB 3.3Å
8T75.1Confident85.4Confident140 Ų14069 Ų6986%0.85939%0.391SS*.THydrogen-bonded Turntrans-58.7-27.4179.147.70000113
9S81Confident85.9Confident107 Ų10766.7 Ų66.775%0.74838%0.378SS*.THydrogen-bonded Turntrans-87.90.7175.657.70000114.7S7S7-S9 PolarHBondContact O-N 3Å; S7-S9 VanDerWaalsContact O-N 3.13Å
10A80.8Confident86.5Confident20 Ų2064.2 Ų64.217%0.16536%0.362CS..  trans-68.6136.9-176.800000111.6L6 S7 Y12 V15L6-A10 HydrophobicContact CB-CB 4.44Å; S7-A10 WeakPolarHBondContact O-CB 3.41Å; S7-A10 PolarHBondContact O-N 2.87Å; S7-A10 WeakPolarHBondContact OG-CB 3.3Å; A10-Y12 PolarHBondContact O-N 2.78Å; A10-V15 HydrophobicContact CB-CG2 4.22Å
11N87.5Confident87Confident104 Ų10464.5 Ų64.556%0.55636%0.363SS*.  trans-77.1101.9164.6-178-17.4000108.8T13 A14 V15N11-T13 PolarHBondContact O-N 3.02Å; N11-T13 PolarHBondContact OD1-N 3.21Å; N11-T13 VanDerWaalsContact OD1-N 3.14Å; N11-A14 HydrophobicContact CB-CB 4.04Å; N11-A14 WeakPolarHBondContact O-CB 3.34Å; N11-A14 PolarHBondContact O-N 3.33Å; N11-A14 VanDerWaalsContact O-N 3.08Å; N11-A14 PolarHBondContact OD1-N 2.96Å; N11-V15 PolarHBondContact O-N 3.49Å
12Y84.6Confident88.2Confident85 Ų8563 Ų6333%0.33336%0.357SS..Hα-helixtrans-54.2-38.3-177.8-67.6-83.8000113.3L6 A10 A14 V15 L16 Y58L6-Y12 HydrophobicContact CB-CE1 4.22Å; L6-Y12 HydrophobicContact CD1-CD1 3.43Å; L6-Y12 VanDerWaalsContact CD1-CD1 3.43Å; L6-Y12 HydrophobicContact CD1-CE1 3.5Å; L6-Y12 VanDerWaalsContact CD1-CE1 3.5Å; L6-Y12 HydrophobicContact CG-CE1 4.45Å; A10-Y12 PolarHBondContact O-N 2.78Å; Y12-A14 PolarHBondContact O-N 3.32Å; Y12-V15 PolarHBondContact O-N 3.43Å; Y12-L16 WeakPolarHBondContact O-CB 3.25Å; Y12-L16 WeakPolarHBondContact O-CG 3.49Å; Y12-L16 PolarHBondContact O-N 2.98Å; Y12-Y58 AromaticContact CD1-CD2 3.98Å; Y12-Y58 HydrophobicContact CD1-CD2 3.98Å; Y12-Y58 AromaticContact CD1-CE2 3.65Å; Y12-Y58 HydrophobicContact CD1-CE2 3.65Å; Y12-Y58 HydrophobicContact CE1-CD2 4.49Å; Y12-Y58 HydrophobicContact CE1-CE2 4.02Å; Y12-Y58 HydrophobicContact CG-CE2 4.14Å
13T89.3Confident88.9Confident102 Ų10261.1 Ų61.163%0.62635%0.35SS*.Hα-helixtrans-64.9-41.4179.2-55.60000111.5N11 L16 Q17N11-T13 PolarHBondContact O-N 3.02Å; N11-T13 PolarHBondContact OD1-N 3.21Å; N11-T13 VanDerWaalsContact OD1-N 3.14Å; T13-L16 PolarHBondContact O-N 3Å; T13-Q17 PolarHBondContact O-N 3.34Å
14A92.4Very high89.6Confident44 Ų4459.7 Ų59.736%0.36435%0.346SS..Hα-helixtrans-65.8-46.9177.200000111.1N11 Y12 L16 Q17 D18N11-A14 HydrophobicContact CB-CB 4.04Å; N11-A14 WeakPolarHBondContact O-CB 3.34Å; N11-A14 PolarHBondContact O-N 3.33Å; N11-A14 VanDerWaalsContact O-N 3.08Å; N11-A14 PolarHBondContact OD1-N 2.96Å; Y12-A14 PolarHBondContact O-N 3.32Å; A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 PolarHBondContact O-N 2.85Å; A14-Q17 WeakPolarHBondContact O-CB 3.28Å; A14-Q17 PolarHBondContact O-N 3.37Å; A14-Q17 VanDerWaalsContact O-N 3.09Å; A14-D18 PolarHBondContact O-N 2.95Å
15V91.1Very high90.3Very high27 Ų2760.2 Ų60.216%0.16434%0.34CS..Hα-helixtrans-58.5-42.6176.2173.70000111.7M1 L6 A10 N11 Y12 Q17 D18 L19M1-V15 HydrophobicContact CE-CG1 3.97Å; L6-V15 HydrophobicContact CD1-CG1 4.33Å; L6-V15 HydrophobicContact CD2-CG1 3.62Å; L6-V15 HydrophobicContact CD2-CG2 4.42Å; A10-V15 HydrophobicContact CB-CG2 4.22Å; N11-V15 PolarHBondContact O-N 3.49Å; Y12-V15 PolarHBondContact O-N 3.43Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.05Å; V15-D18 PolarHBondContact O-N 3.5Å; V15-L19 HydrophobicContact CG1-CD1 4.1Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 3.47Å
16L91.2Very high90.7Very high19 Ų1961.1 Ų61.110%0.09935%0.351CS..Hα-helixtrans-67.2-33.2177.8-76.7178.7000112.9Y12 T13 A14 L19 E20 Y58 L62Y12-L16 WeakPolarHBondContact O-CB 3.25Å; Y12-L16 WeakPolarHBondContact O-CG 3.49Å; Y12-L16 PolarHBondContact O-N 2.98Å; T13-L16 PolarHBondContact O-N 3Å; A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 PolarHBondContact O-N 2.85Å; L16-L19 HydrophobicContact CD2-CD1 4.5Å; L16-E20 WeakPolarHBondContact O-CB 2.98Å; L16-E20 PolarHBondContact O-N 3.14Å; L16-Y58 HydrophobicContact CD1-CD1 4.21Å; L16-Y58 HydrophobicContact CD1-CG 4.25Å; L16-L62 HydrophobicContact CD2-CB 4.24Å; L16-L62 HydrophobicContact CD2-CD2 4.17Å
17Q95.3Very high91.3Very high73 Ų7361.8 Ų61.834%0.34135%0.354SS..Hα-helixtrans-65.2-48.9172.4-17659.847.100110.6T13 A14 V15 L19 E20 D21T13-Q17 PolarHBondContact O-N 3.34Å; A14-Q17 WeakPolarHBondContact O-CB 3.28Å; A14-Q17 PolarHBondContact O-N 3.37Å; A14-Q17 VanDerWaalsContact O-N 3.09Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.05Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.4Å; Q17-E20 WeakPolarHBondContact O-CB 3.43Å; Q17-E20 PolarHBondContact O-N 3.37Å; Q17-E20 VanDerWaalsContact O-N 3.12Å; Q17-D21 VanDerWaalsContact NE2-CG 3.3Å; Q17-D21 PolarHBondContact NE2-OD1 2.95Å; Q17-D21 PolarHBondContact NE2-OD2 3.45Å; Q17-D21 PolarHBondContact O-N 3.03Å
18D95.3Very high92Very high95 Ų9563.7 Ų63.751%0.50836%0.358SS..Hα-helixtrans-58.2-44.7177.8-64.5-19.1000111.1A14 V15 E20 D21 I22A14-D18 PolarHBondContact O-N 2.95Å; V15-D18 PolarHBondContact O-N 3.5Å; D18-E20 PolarHBondContact O-N 2.95Å; D18-D21 PolarHBondContact O-N 2.88Å; D18-I22 WeakPolarHBondContact O-CB 3.08Å; D18-I22 WeakPolarHBondContact O-CD1 3.2Å; D18-I22 WeakPolarHBondContact O-CG1 2.97Å; D18-I22 PolarHBondContact O-N 3.4Å
19L95.2Very high93Very high25 Ų2564.7 Ų64.713%0.13135%0.35CS..Hα-helixtrans-62.9-41.1176.2-75.1174.8000112.7M1 V15 L16 Q17 D21 W23 L59 L62M1-L19 HydrophobicContact CE-CD1 4.06Å; M1-L19 HydrophobicContact CE-CD2 4.06Å; M1-L19 HydrophobicContact CE-CG 4.29Å; V15-L19 HydrophobicContact CG1-CD1 4.1Å; V15-L19 HydrophobicContact CG1-CG 4.44Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 3.47Å; L16-L19 HydrophobicContact CD2-CD1 4.5Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.4Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-W23 WeakPolarHBondContact O-CB 3.25Å; L19-W23 PolarHBondContact O-N 3.47Å; L19-L59 HydrophobicContact CD1-CD2 3.75Å; L19-L62 HydrophobicContact CB-CD2 3.78Å
20E96.5Very high93.7Very high16 Ų1667.3 Ų67.38%0.07535%0.35CS..Hα-helixtrans-59-46.3174.5-171.2-178.1128.800111.5L16 Q17 D18 S24 R35 L62 R66 L67L16-E20 WeakPolarHBondContact O-CB 2.98Å; L16-E20 PolarHBondContact O-N 3.14Å; Q17-E20 WeakPolarHBondContact O-CB 3.43Å; Q17-E20 PolarHBondContact O-N 3.37Å; Q17-E20 VanDerWaalsContact O-N 3.12Å; D18-E20 PolarHBondContact O-N 2.95Å; E20-S24 WeakPolarHBondContact O-CB 3.28Å; E20-S24 PolarHBondContact O-N 3.02Å; E20-S24 PolarHBondContact O-OG 3.36Å; E20-R35 VanDerWaalsContact CD-NH2 3.27Å; E20-R35 IonicContact OE1-CZ 3.14Å; E20-R35 IonicContact OE1-NH1 2.74Å; E20-R35 PolarHBondContact OE1-NH1 3.17Å; E20-R35 IonicContact OE1-NH2 2.92Å; E20-R35 PolarHBondContact OE1-NH2 3.15Å; E20-R35 IonicContact OE2-NH2 3.77Å; E20-L62 HydrophobicContact CB-CD1 3.66Å; E20-L62 HydrophobicContact CG-CD1 4.04Å; E20-R66 WeakPolarHBondContact OE2-CB 3.36Å; E20-R66 IonicContact OE2-CZ 3.17Å; E20-R66 IonicContact OE2-NE 2.97Å; E20-R66 PolarHBondContact OE2-NE 3.39Å; E20-R66 IonicContact OE2-NH2 3.86Å; E20-R66 PolarHBondContact OE2-NH2 3.43Å; E20-L67 HydrophobicContact CG-CD2 3.77Å; E20-L67 HydrophobicContact CG-CG 4.32Å
21D97.2Very high94.4Very high71 Ų7170.8 Ų70.838%0.3837%0.369SS..Hα-helixtrans-70.3-41.7-176.4-67.3-27.9000111.2Q17 D18 L19 T25Q17-D21 VanDerWaalsContact NE2-CG 3.3Å; Q17-D21 PolarHBondContact NE2-OD1 2.95Å; Q17-D21 PolarHBondContact NE2-OD2 3.45Å; Q17-D21 PolarHBondContact O-N 3.03Å; D18-D21 PolarHBondContact O-N 2.88Å; L19-D21 VanDerWaalsContact C-N 3.33Å; D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 3.4Å; D21-T25 PolarHBondContact O-OG1 3.5Å
22I97Very high94.8Very high103 Ų10368.5 Ų68.553%0.52837%0.37SS..Hα-helixtrans-61.4-51.7175.1-68.4164.1000110.3D18 T25 A26D18-I22 WeakPolarHBondContact O-CB 3.08Å; D18-I22 WeakPolarHBondContact O-CD1 3.2Å; D18-I22 WeakPolarHBondContact O-CG1 2.97Å; D18-I22 PolarHBondContact O-N 3.4Å; I22-T25 PolarHBondContact O-N 3.33Å; I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 3.19Å
23W97.2Very high95.4Very high75 Ų7565.6 Ų65.628%0.28436%0.36SS..Hα-helixtrans-68.7-40.4-178-70.6-1.5000112.3L19 T25 A26 L27 L45 L59 L62 L63 L67L19-W23 WeakPolarHBondContact O-CB 3.25Å; L19-W23 PolarHBondContact O-N 3.47Å; W23-T25 VanDerWaalsContact C-N 3.35Å; W23-T25 PolarHBondContact O-N 2.82Å; W23-A26 PolarHBondContact O-N 2.95Å; W23-L27 WeakPolarHBondContact O-CB 3.46Å; W23-L27 WeakPolarHBondContact O-CD1 3.38Å; W23-L27 WeakPolarHBondContact O-CG 3.38Å; W23-L27 PolarHBondContact O-N 3.2Å; W23-L45 HydrophobicContact CH2-CD1 4.21Å; W23-L59 HydrophobicContact CH2-CD2 4Å; W23-L62 HydrophobicContact CE3-CD2 4Å; W23-L62 HydrophobicContact CZ3-CD2 3.84Å; W23-L62 HydrophobicContact CZ3-CG 4.44Å; W23-L63 HydrophobicContact CE3-CD2 3.91Å; W23-L63 HydrophobicContact CZ3-CD1 4.41Å; W23-L63 HydrophobicContact CZ3-CD2 3.55Å; W23-L63 HydrophobicContact CZ3-CG 3.87Å; W23-L67 HydrophobicContact CB-CD1 4.26Å; W23-L67 HydrophobicContact CE3-CD1 3.79Å
24S96.6Very high95.7Very high9 Ų963.5 Ų63.56%0.06335%0.348CS..Hα-helixtrans-59.7-47.8174.1-600000110.5E20 A26 L27 E28 R35 L67E20-S24 WeakPolarHBondContact O-CB 3.28Å; E20-S24 PolarHBondContact O-N 3.02Å; E20-S24 PolarHBondContact O-OG 3.36Å; S24-A26 VanDerWaalsContact C-N 3.33Å; S24-A26 PolarHBondContact O-N 2.95Å; S24-L27 PolarHBondContact O-N 2.97Å; S24-E28 WeakPolarHBondContact O-CB 3.39Å; S24-E28 WeakPolarHBondContact O-CG 3.38Å; S24-E28 PolarHBondContact O-N 2.93Å; S24-R35 PolarHBondContact OG-NH1 3.34Å; S24-L67 WeakPolarHBondContact OG-CD2 3.47Å
25T97.4Very high95.8Very high58 Ų5865.2 Ų65.236%0.35635%0.345SS..Hα-helixtrans-60.5-42.8178.1-61.60000111.5D21 I22 W23 K29D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 3.4Å; D21-T25 PolarHBondContact O-OG1 3.5Å; I22-T25 PolarHBondContact O-N 3.33Å; W23-T25 VanDerWaalsContact C-N 3.35Å; W23-T25 PolarHBondContact O-N 2.82Å; T25-K29 HydrophobicContact CG2-CD 3.66Å; T25-K29 HydrophobicContact CG2-CG 4.19Å; T25-K29 VanDerWaalsContact O-CB 3.26Å; T25-K29 WeakPolarHBondContact O-CB 3.43Å; T25-K29 WeakPolarHBondContact O-CG 3.33Å; T25-K29 PolarHBondContact O-N 3.44Å
26A97.2Very high96Very high39 Ų3968.4 Ų68.432%0.32237%0.369SS..Hα-helixtrans-65.2-45.7178.900000112.3I22 W23 S24 H30 V31I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 3.19Å; W23-A26 PolarHBondContact O-N 2.95Å; S24-A26 VanDerWaalsContact C-N 3.33Å; S24-A26 PolarHBondContact O-N 2.95Å; A26-H30 WeakPolarHBondContact O-CA 3.47Å; A26-H30 WeakPolarHBondContact O-CB 2.91Å; A26-H30 PolarHBondContact O-N 2.96Å; A26-V31 PolarHBondContact O-N 3.38Å
27L96.9Very high96.2Very high35 Ų3570.7 Ų70.718%0.18338%0.381CS..Iπ-helixtrans-63.1-43.4178.2-70.6164.8000111.6W23 S24 V31 G32 I33 L38 F69W23-L27 WeakPolarHBondContact O-CB 3.46Å; W23-L27 WeakPolarHBondContact O-CD1 3.38Å; W23-L27 WeakPolarHBondContact O-CG 3.38Å; W23-L27 PolarHBondContact O-N 3.2Å; S24-L27 PolarHBondContact O-N 2.97Å; L27-V31 HydrophobicContact CD2-CG2 4.44Å; L27-V31 CarbonylContact O-C 3.57Å; L27-V31 WeakPolarHBondContact O-CB 3.24Å; L27-V31 PolarHBondContact O-N 3.49Å; L27-G32 PolarHBondContact O-N 2.95Å; L27-I33 CarbonylContact C-O 3.53Å; L27-I33 PolarHBondContact O-N 2.83Å; L27-L38 HydrophobicContact CD1-CD1 4.02Å; L27-L38 HydrophobicContact CD1-CD2 3.95Å; L27-F69 HydrophobicContact CD1-CE2 4.26Å; L27-F69 HydrophobicContact CD1-CZ 3.9Å
28E96.4Very high96.3Very high91 Ų9167.2 Ų67.243%0.42537%0.365SS..Iπ-helixtrans-74.6-48-178.1-69.6-174.8164.700112.5S24 G32 I33 R35S24-E28 WeakPolarHBondContact O-CB 3.39Å; S24-E28 WeakPolarHBondContact O-CG 3.38Å; S24-E28 PolarHBondContact O-N 2.93Å; E28-G32 WeakPolarHBondContact O-CA 3.5Å; E28-G32 PolarHBondContact O-N 3.19Å; E28-I33 WeakPolarHBondContact CG-O 3.39Å; E28-R35 WeakPolarHBondContact OE1-CB 3.35Å; E28-R35 PolarHBondContact OE1-N 3.45Å
29K96.9Very high96.4Very high160 Ų16065.8 Ų65.870%0.69636%0.362SS*.Iπ-helixtrans-86-33.7-172.2-62.4-172.6-176.11700114.2T25T25-K29 HydrophobicContact CG2-CD 3.66Å; T25-K29 HydrophobicContact CG2-CG 4.19Å; T25-K29 VanDerWaalsContact O-CB 3.26Å; T25-K29 WeakPolarHBondContact O-CB 3.43Å; T25-K29 WeakPolarHBondContact O-CG 3.33Å; T25-K29 PolarHBondContact O-N 3.44Å
30H95.8Very high96.5Very high162 Ų16270.8 Ų70.875%0.7539%0.389SS*.Iπ-helixtrans-105.7-29.6-174.4-61-64000113.3A26A26-H30 WeakPolarHBondContact O-CA 3.47Å; A26-H30 WeakPolarHBondContact O-CB 2.91Å; A26-H30 PolarHBondContact O-N 2.96Å
31V94.7Very high96.5Very high94 Ų9474.9 Ų74.957%0.5741%0.405SS*.Iπ-helixtrans-99.4-23.1176.7-167.40000112.1A26 L27 I33A26-V31 PolarHBondContact O-N 3.38Å; L27-V31 HydrophobicContact CD2-CG2 4.44Å; L27-V31 CarbonylContact O-C 3.57Å; L27-V31 WeakPolarHBondContact O-CB 3.24Å; L27-V31 PolarHBondContact O-N 3.49Å; V31-I33 HydrophobicContact CB-CD1 4.43Å; V31-I33 HydrophobicContact CB-CG1 4.47Å; V31-I33 HydrophobicContact CG1-CD1 3.58Å; V31-I33 HydrophobicContact CG1-CG1 3.93Å
32G96.8Very high96.5Very high56 Ų5678 Ų7858%0.57741%0.411SS*.  trans78.323.3-179.200000114L27 E28 P34L27-G32 PolarHBondContact O-N 2.95Å; E28-G32 WeakPolarHBondContact O-CA 3.5Å; E28-G32 PolarHBondContact O-N 3.19Å; G32-P34 WeakPolarHBondContact O-CD 3.09Å
33I96.7Very high96.5Very high23 Ų2373.7 Ų73.712%0.11839%0.391CS..  trans-103.6111.4178.8-59.6170.7000109.1L27 E28 V31 N37 L38 Y41L27-I33 CarbonylContact C-O 3.53Å; L27-I33 PolarHBondContact O-N 2.83Å; E28-I33 WeakPolarHBondContact CG-O 3.39Å; V31-I33 HydrophobicContact CB-CD1 4.43Å; V31-I33 HydrophobicContact CB-CG1 4.47Å; V31-I33 HydrophobicContact CG1-CD1 3.58Å; V31-I33 HydrophobicContact CG1-CG1 3.93Å; I33-N37 HydrophobicContact CG2-CB 4.45Å; I33-L38 HydrophobicContact CG2-CD2 3.74Å; I33-Y41 HydrophobicContact CD1-CD1 4.16Å; I33-Y41 HydrophobicContact CD1-CE1 3.65Å; I33-Y41 HydrophobicContact CD1-CE2 4.41Å; I33-Y41 HydrophobicContact CG1-CE1 4.4Å; I33-Y41 HydrophobicContact CG2-CD2 4.04Å; I33-Y41 HydrophobicContact CG2-CE2 3.57Å
34P95.6Very high96.4Very high58 Ų5872.1 Ų72.138%0.37739%0.388SS..  trans-60.2141174.7-23.233.8000111.6G32 S36 N37G32-P34 WeakPolarHBondContact O-CD 3.09Å; P34-S36 PolarHBondContact O-N 2.74Å; P34-S36 VanDerWaalsContact O-N 3.11Å; P34-N37 WeakPolarHBondContact O-CB 3.26Å; P34-N37 PolarHBondContact O-N 3.17Å
35R94Very high96.5Very high81 Ų8172.4 Ų72.431%0.30639%0.389SS..G310 helixtrans-54.5-34.3178.1-179.7171.9176.2165.1-2.6113.7E20 S24 E28 N37 L38 R66E20-R35 VanDerWaalsContact CD-NH2 3.27Å; E20-R35 IonicContact OE1-CZ 3.14Å; E20-R35 IonicContact OE1-NH1 2.74Å; E20-R35 PolarHBondContact OE1-NH1 3.17Å; E20-R35 IonicContact OE1-NH2 2.92Å; E20-R35 PolarHBondContact OE1-NH2 3.15Å; E20-R35 IonicContact OE2-NH2 3.77Å; S24-R35 PolarHBondContact OG-NH1 3.34Å; E28-R35 WeakPolarHBondContact OE1-CB 3.35Å; E28-R35 PolarHBondContact OE1-N 3.45Å; R35-N37 PolarHBondContact O-N 3.45Å; R35-L38 HydrophobicContact CG-CD1 4.15Å; R35-L38 WeakPolarHBondContact O-CG 3.41Å; R35-L38 PolarHBondContact O-N 3.29Å; R35-R66 PolarHBondContact NH2-O 3.41Å
36S95.4Very high96.4Very high94 Ų9471.3 Ų71.366%0.65738%0.382SS*.G310 helixtrans-59.9-26.6176.754.20000113.5P34P34-S36 PolarHBondContact O-N 2.74Å; P34-S36 VanDerWaalsContact O-N 3.11Å
37N96.8Very high96.3Very high66 Ų6669.9 Ų69.935%0.35337%0.368SS..G310 helixtrans-89.9-9.6-176.4-68.4-4.5000113.3I33 P34 R35 S39 N40 Y41I33-N37 HydrophobicContact CG2-CB 4.45Å; P34-N37 WeakPolarHBondContact O-CB 3.26Å; P34-N37 PolarHBondContact O-N 3.17Å; R35-N37 PolarHBondContact O-N 3.45Å; N37-S39 PolarHBondContact O-N 3.21Å; N37-N40 WeakPolarHBondContact O-CB 3.24Å; N37-N40 PolarHBondContact O-N 2.85Å; N37-Y41 HydrophobicContact CB-CE2 4.28Å; N37-Y41 VanDerWaalsContact O-CD2 3.29Å; N37-Y41 WeakPolarHBondContact O-CD2 3.42Å
38L97.1Very high96.2Very high1 Ų169.7 Ų69.71%0.00537%0.37CS..G310 helixtrans-58.6-25.1-175-64.8179.6000113.7L27 I33 R35 N40 Y41 L67 K68 F69L27-L38 HydrophobicContact CD1-CD1 4.02Å; L27-L38 HydrophobicContact CD1-CD2 3.95Å; I33-L38 HydrophobicContact CG2-CD2 3.74Å; R35-L38 HydrophobicContact CG-CD1 4.15Å; R35-L38 WeakPolarHBondContact O-CG 3.41Å; R35-L38 PolarHBondContact O-N 3.29Å; L38-N40 PolarHBondContact O-N 3.45Å; L38-Y41 PolarHBondContact O-N 3.03Å; L38-L67 WeakPolarHBondContact CB-O 3.26Å; L38-L67 HydrophobicContact CD1-CB 4.18Å; L38-L67 HydrophobicContact CD1-CD2 4.36Å; L38-L67 WeakPolarHBondContact CD1-O 3.27Å; L38-K68 CarbonylContact C-O 3.5Å; L38-F69 HydrophobicContact CD1-CE2 4.1Å; L38-F69 HydrophobicContact CD1-CZ 4.31Å; L38-F69 HydrophobicContact CD2-CE1 4Å; L38-F69 HydrophobicContact CD2-CE2 4.41Å; L38-F69 HydrophobicContact CD2-CZ 3.81Å; L38-F69 HydrophobicContact CG-CZ 4.46Å; L38-F69 WeakPolarHBondContact O-CA 3.12Å
39S97.1Very high96.2Very high65 Ų6565.5 Ų65.546%0.45535%0.35SS..G310 helixtrans-59.3-23.8172.659.10000114.4N37 Y41 K68 G70N37-S39 PolarHBondContact O-N 3.21Å; S39-Y41 VanDerWaalsContact C-N 3.35Å; S39-K68 WeakPolarHBondContact CA-O 3.29Å; S39-K68 PolarHBondContact N-O 3.02Å; S39-K68 VanDerWaalsContact N-O 3.12Å; S39-G70 WeakPolarHBondContact O-CA 3.49Å
40N97.3Very high96.1Very high130 Ų13058 Ų5870%0.69532%0.319SS*.G310 helixtrans-85.6-7.9174.7-59.6-43.2000113.1N37 L38N37-N40 WeakPolarHBondContact O-CB 3.24Å; N37-N40 PolarHBondContact O-N 2.85Å; L38-N40 PolarHBondContact O-N 3.45Å
41Y97.6Very high95.9Very high102 Ų10251 Ų5140%0.429%0.285SS..  trans-106.8158.4-178.1-66.9-96.2000111.3I33 N37 L38 S39 G70I33-Y41 HydrophobicContact CD1-CD1 4.16Å; I33-Y41 HydrophobicContact CD1-CE1 3.65Å; I33-Y41 HydrophobicContact CD1-CE2 4.41Å; I33-Y41 HydrophobicContact CG1-CE1 4.4Å; I33-Y41 HydrophobicContact CG2-CD2 4.04Å; I33-Y41 HydrophobicContact CG2-CE2 3.57Å; N37-Y41 HydrophobicContact CB-CE2 4.28Å; N37-Y41 VanDerWaalsContact O-CD2 3.29Å; N37-Y41 WeakPolarHBondContact O-CD2 3.42Å; L38-Y41 PolarHBondContact O-N 3.03Å; S39-Y41 VanDerWaalsContact C-N 3.35Å; Y41-G70 PolarHBondContact O-N 3.18Å
42R96Very high95.7Very high136 Ų13650.5 Ų50.551%0.51328%0.276SS..EExtended strand (participates in β ladder)trans-113.6146.9170.1-50.6-179.8-172.5171.13.6108.5R71 W447R42-R71 CarbonylContact C-O 3.57Å; R42-R71 WeakPolarHBondContact CA-O 3.31Å; R42-R71 HydrophobicContact CB-CB 4.31Å; R42-R71 HydrophobicContact CG-CB 4.02Å; R42-R71 HydrophobicContact CG-CG 4.38Å; R42-W447 HydrophobicContact CB-CE3 4.01Å; R42-W447 HydrophobicContact CB-CH2 3.83Å; R42-W447 HydrophobicContact CB-CZ3 3.49Å; R42-W447 VanDerWaalsContact CB-CZ3 3.49Å; R42-W447 HydrophobicContact CG-CZ3 4.41Å
43A96.3Very high95.4Very high13 Ų1348.6 Ų48.611%0.10725%0.251CS..EExtended strand (participates in β ladder)trans-115133.7179.500000111.1L63 F69 R71 V72 F73A43-L63 HydrophobicContact CB-CD1 4.4Å; A43-L63 HydrophobicContact CB-CD2 4.15Å; A43-F69 HydrophobicContact CB-CB 4.47Å; A43-F69 HydrophobicContact CB-CD1 3.76Å; A43-F69 HydrophobicContact CB-CD2 4.24Å; A43-F69 HydrophobicContact CB-CE1 3.95Å; A43-F69 HydrophobicContact CB-CE2 4.41Å; A43-F69 HydrophobicContact CB-CG 3.9Å; A43-F69 HydrophobicContact CB-CZ 4.26Å; A43-R71 PolarHBondContact N-O 2.97Å; A43-V72 HydrophobicContact CB-CG2 4.29Å; A43-V72 CarbonylContact O-C 3.56Å; A43-V72 VanDerWaalsContact O-CA 3.27Å; A43-V72 WeakPolarHBondContact O-CA 3.5Å; A43-F73 PolarHBondContact O-N 3.39Å
44I96.7Very high95Very high41 Ų4151 Ų5121%0.2126%0.264CS..EExtended strand (participates in β ladder)trans-96.7118.5164.9-63.1177000107.5V46 F73 A434 L438 I443 W447I44-V46 HydrophobicContact CG2-CG2 4.25Å; I44-F73 CarbonylContact C-O 3.5Å; I44-F73 WeakPolarHBondContact CA-O 3.48Å; I44-F73 HydrophobicContact CG1-CB 4.42Å; I44-F73 HydrophobicContact CG1-CD1 4.21Å; I44-F73 HydrophobicContact CG2-CD1 4.03Å; I44-A434 WeakPolarHBondContact CD1-O 3.32Å; I44-A434 HydrophobicContact CG2-CB 4.06Å; I44-L438 HydrophobicContact CD1-CD2 3.67Å; I44-L438 HydrophobicContact CD1-CG 3.86Å; I44-I443 HydrophobicContact CD1-CD1 4.18Å; I44-W447 HydrophobicContact CD1-CH2 4.36Å; I44-W447 HydrophobicContact CG1-CH2 3.81Å; I44-W447 HydrophobicContact CG1-CZ3 4.31Å
45L97.2Very high94.8Very high16 Ų1649.3 Ų49.38%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-94.7104.3174.5179.464000109.1W23 I47 I56 L59 V60 L63 V72 F73 V74 H75W23-L45 HydrophobicContact CH2-CD1 4.21Å; L45-I47 HydrophobicContact CD2-CG2 4.13Å; L45-I47 HydrophobicContact CG-CG2 3.85Å; L45-I56 HydrophobicContact CD2-CG2 4.49Å; L45-L59 HydrophobicContact CD1-CD1 4.38Å; L45-L59 HydrophobicContact CD2-CB 3.76Å; L45-L59 HydrophobicContact CD2-CD1 4.38Å; L45-V60 HydrophobicContact CD2-CG2 4.14Å; L45-L63 HydrophobicContact CB-CD1 3.98Å; L45-L63 HydrophobicContact CD1-CD1 4.26Å; L45-L63 HydrophobicContact CD2-CD1 4.22Å; L45-L63 HydrophobicContact CG-CD1 4.38Å; L45-V72 HydrophobicContact CB-CG1 4.43Å; L45-F73 PolarHBondContact N-O 3.2Å; L45-V74 HydrophobicContact CB-CG2 4.3Å; L45-V74 HydrophobicContact CD2-CG1 4.44Å; L45-V74 HydrophobicContact CD2-CG2 4.27Å; L45-V74 WeakPolarHBondContact O-CA 3.32Å; L45-H75 PolarHBondContact O-N 2.9Å
46V96.2Very high94.8Very high35 Ų3546 Ų4621%0.21224%0.239CC..EExtended strand (participates in β ladder)trans-81.2121.4173.3-175.90000109.1I44 H75 A77 A434I44-V46 HydrophobicContact CG2-CG2 4.25Å; V46-H75 CarbonylContact C-O 3.48Å; V46-H75 WeakPolarHBondContact CA-O 3.27Å; V46-A77 HydrophobicContact CG1-CB 3.84Å; V46-A434 HydrophobicContact CG2-CB 3.54Å
47I95.9Very high94.7Very high8 Ų843.4 Ų43.44%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-113.9154.7-176.767.4166000111.4L45 Y51 I56 V74 H75 Q76 A77 F467L45-I47 HydrophobicContact CD2-CG2 4.13Å; L45-I47 HydrophobicContact CG-CG2 3.85Å; I47-Y51 HydrophobicContact CD1-CD1 3.78Å; I47-Y51 HydrophobicContact CD1-CD2 4.44Å; I47-Y51 HydrophobicContact CD1-CE1 4.21Å; I47-Y51 HydrophobicContact CD1-CG 3.92Å; I47-I56 HydrophobicContact CB-CD1 3.93Å; I47-I56 HydrophobicContact CD1-CD1 4.4Å; I47-I56 HydrophobicContact CD1-CG1 4.28Å; I47-I56 HydrophobicContact CG2-CD1 3.51Å; I47-I56 HydrophobicContact CG2-CG1 4.31Å; I47-I56 HydrophobicContact CG2-CG2 4.45Å; I47-V74 HydrophobicContact CD1-CG1 3.98Å; I47-V74 HydrophobicContact CG1-CG1 4.21Å; I47-V74 HydrophobicContact CG2-CG1 3.69Å; I47-H75 WeakPolarHBondContact CG1-O 3.46Å; I47-H75 PolarHBondContact N-O 3.24Å; I47-Q76 HydrophobicContact CG1-CG 4.34Å; I47-Q76 CarbonylContact O-C 3.28Å; I47-Q76 WeakPolarHBondContact O-CA 3.43Å; I47-A77 WeakPolarHBondContact O-CB 3.09Å; I47-A77 PolarHBondContact O-N 3.42Å; I47-F467 HydrophobicContact CD1-CE1 4.29Å; I47-F467 HydrophobicContact CD1-CE2 4.08Å; I47-F467 HydrophobicContact CD1-CZ 3.58Å
48S94.5Very high94.5Very high32 Ų3244.3 Ų44.322%0.22421%0.214CC..  trans-61.6149171178.30000111V50 Y51 K99S48-V50 VanDerWaalsContact C-N 3.3Å; S48-V50 VanDerWaalsContact CB-O 3.24Å; S48-V50 WeakPolarHBondContact CB-O 3.49Å; S48-V50 PolarHBondContact O-N 3.46Å; S48-V50 PolarHBondContact OG-O 2.74Å; S48-Y51 WeakPolarHBondContact O-CD1 3.42Å; S48-K99 PolarHBondContact OG-NZ 3.31Å
49D95.2Very high94.4Very high2 Ų245.9 Ų45.91%0.01122%0.222CC..SBendtrans-66.3-35.7-178.4-51.3-53.9000112.3Y51 Q76 S78 S103 R115 Q249D49-Y51 WeakPolarHBondContact O-CD1 3.23Å; D49-Q76 PolarHBondContact O-NE2 3.46Å; D49-Q76 WeakPolarHBondContact OD1-CB 3.15Å; D49-S78 VanDerWaalsContact CG-CB 3.47Å; D49-S78 WeakPolarHBondContact OD1-CB 3.44Å; D49-S78 PolarHBondContact OD1-N 3.01Å; D49-S78 PolarHBondContact OD1-OG 3.06Å; D49-S78 VanDerWaalsContact OD2-CB 3.27Å; D49-S78 WeakPolarHBondContact OD2-CB 3.33Å; D49-S78 PolarHBondContact OD2-OG 3.12Å; D49-S103 VanDerWaalsContact CB-OG 3.32Å; D49-S103 WeakPolarHBondContact CB-OG 3.37Å; D49-S103 PolarHBondContact OD2-OG 3.16Å; D49-R115 HydrophobicContact CB-CB 4.46Å; D49-R115 HydrophobicContact CB-CG 4.28Å; D49-R115 WeakPolarHBondContact O-CD 3.26Å; D49-R115 PolarHBondContact O-NH1 3.03Å; D49-Q249 PolarHBondContact O-OE1 3Å
50V94.6Very high94.4Very high4 Ų442.8 Ų42.82%0.02420%0.201CC..SBendtrans-94.6116.8162.2-179.90000107.7F5 S48 R115 I117 T247 Q249F5-V50 HydrophobicContact CZ-CG1 4.09Å; S48-V50 VanDerWaalsContact C-N 3.3Å; S48-V50 VanDerWaalsContact CB-O 3.24Å; S48-V50 WeakPolarHBondContact CB-O 3.49Å; S48-V50 PolarHBondContact O-N 3.46Å; S48-V50 PolarHBondContact OG-O 2.74Å; V50-R115 HydrophobicContact CG2-CB 3.72Å; V50-I117 HydrophobicContact CB-CD1 3.61Å; V50-I117 HydrophobicContact CB-CG1 3.91Å; V50-I117 HydrophobicContact CG1-CD1 3.93Å; V50-I117 HydrophobicContact CG1-CG1 4.45Å; V50-I117 HydrophobicContact CG2-CD1 4.34Å; V50-I117 HydrophobicContact CG2-CG1 4.08Å; V50-T247 HydrophobicContact CG1-CG2 4.07Å; V50-Q249 HydrophobicContact CG2-CB 4.31Å
51Y92.8Very high94.4Very high13 Ų1340.1 Ų40.15%0.05118%0.184CC..  trans-136.6157-175.358.7-90.8000111.8I47 S48 D49 R53 I56 Q249 F467 P468 W469I47-Y51 HydrophobicContact CD1-CD1 3.78Å; I47-Y51 HydrophobicContact CD1-CD2 4.44Å; I47-Y51 HydrophobicContact CD1-CE1 4.21Å; I47-Y51 HydrophobicContact CD1-CG 3.92Å; S48-Y51 WeakPolarHBondContact O-CD1 3.42Å; D49-Y51 WeakPolarHBondContact O-CD1 3.23Å; Y51-R53 HydrophobicContact CD2-CG 4.42Å; Y51-R53 HydrophobicContact CE2-CG 3.99Å; Y51-I56 HydrophobicContact CD2-CG1 4.06Å; Y51-I56 HydrophobicContact CG-CG1 4.34Å; Y51-Q249 PolarHBondContact O-OE1 3.42Å; Y51-F467 HydrophobicContact CE1-CD2 4.2Å; Y51-F467 AromaticContact CE1-CE2 3.84Å; Y51-F467 HydrophobicContact CE1-CE2 3.84Å; Y51-F467 HydrophobicContact CE2-CE2 4.4Å; Y51-F467 AromaticContact CZ-CE2 3.64Å; Y51-F467 WeakPolarHBondContact OH-CE2 3.42Å; Y51-P468 PolarHBondContact OH-O 3.06Å; Y51-P468 VanDerWaalsContact OH-O 3.13Å; Y51-W469 HydrophobicContact CD2-CZ3 4.08Å; Y51-W469 AromaticContact CE2-CE3 3.81Å; Y51-W469 HydrophobicContact CE2-CE3 3.81Å; Y51-W469 HydrophobicContact CE2-CH2 4.43Å; Y51-W469 AromaticContact CE2-CZ3 3.64Å; Y51-W469 HydrophobicContact CE2-CZ3 3.64Å; Y51-W469 PolarHBondContact OH-O 2.99Å; Y51-W469 VanDerWaalsContact OH-O 3.12Å
52K89.9Confident94.3Very high85 Ų8535.2 Ų35.237%0.3717%0.165SC..  trans-99.7119.9168.9-71.1177.4-174.9175.60109.3F5 N54 E55 I56F5-K52 HydrophobicContact CB-CD 4.44Å; F5-K52 HydrophobicContact CD1-CD 3.69Å; F5-K52 HydrophobicContact CD1-CG 3.77Å; F5-K52 HydrophobicContact CE1-CD 4.32Å; F5-K52 HydrophobicContact CE1-CG 3.9Å; F5-K52 HydrophobicContact CG-CD 4.29Å; K52-N54 VanDerWaalsContact C-N 3.3Å; K52-N54 PolarHBondContact O-N 2.96Å; K52-E55 HydrophobicContact CB-CB 4.24Å; K52-E55 HydrophobicContact CB-CG 3.88Å; K52-E55 HydrophobicContact CD-CG 4.33Å; K52-E55 WeakPolarHBondContact CD-OE1 3.44Å; K52-E55 IonicContact NZ-OE1 3.76Å; K52-E55 WeakPolarHBondContact O-CB 3.22Å; K52-E55 PolarHBondContact O-N 3.17Å; K52-I56 PolarHBondContact O-N 2.81Å
53R90.5Very high94.4Very high15 Ų1529.1 Ų29.16%0.05714%0.142CC..Hα-helixtrans-53.1-44.5-177.1-71.9-172.5179.2163.9-0.2113.5Y51 E55 I56 R57 S252 S255 E257 W469Y51-R53 HydrophobicContact CD2-CG 4.42Å; Y51-R53 HydrophobicContact CE2-CG 3.99Å; R53-E55 VanDerWaalsContact C-N 3.3Å; R53-E55 PolarHBondContact O-N 3.39Å; R53-I56 PolarHBondContact O-N 3.28Å; R53-R57 VanDerWaalsContact O-CG 3.3Å; R53-R57 WeakPolarHBondContact O-CG 3.39Å; R53-R57 PolarHBondContact O-N 3.11Å; R53-S252 PolarHBondContact NH1-O 3.3Å; R53-S252 PolarHBondContact NH2-O 2.8Å; R53-S252 PolarHBondContact NH2-OG 3.48Å; R53-S255 PolarHBondContact NH1-O 2.93Å; R53-S255 PolarHBondContact NH1-OG 3.14Å; R53-S255 PolarHBondContact NH2-OG 2.95Å; R53-E257 IonicContact CZ-OE1 2.8Å; R53-E257 IonicContact NE-OE1 3.05Å; R53-E257 IonicContact NH1-OE1 2.7Å; R53-E257 PolarHBondContact NH1-OE1 3Å; R53-W469 HydrophobicContact CB-CH2 3.74Å; R53-W469 HydrophobicContact CB-CZ2 3.54Å; R53-W469 HydrophobicContact CG-CD2 4.4Å; R53-W469 HydrophobicContact CG-CH2 3.75Å; R53-W469 HydrophobicContact CG-CZ2 3.55Å; R53-W469 HydrophobicContact CG-CZ3 4.25Å; R53-W469 PolarHBondContact NE-O 3.09Å; R53-W469 PolarHBondContact NH2-O 3.22Å; R53-W469 PolarHBondContact NH2-OXT 2.87Å
54N88.4Confident94.5Very high73 Ų7328.7 Ų28.739%0.3914%0.138SC..Hα-helixtrans-60.1-39.5178.7-68.9-10.6000112.2K52 R57 Y58K52-N54 VanDerWaalsContact C-N 3.3Å; K52-N54 PolarHBondContact O-N 2.96Å; N54-R57 PolarHBondContact O-N 3.01Å; N54-R57 PolarHBondContact OD1-NH1 3.36Å; N54-Y58 HydrophobicContact CB-CE2 4.33Å; N54-Y58 WeakPolarHBondContact O-CD2 3.02Å; N54-Y58 VanDerWaalsContact O-CG 3.31Å; N54-Y58 PolarHBondContact O-N 2.96Å
55E91.2Very high94.5Very high23 Ų2329 Ų2911%0.10714%0.14CC..Hα-helixtrans-65-45.4176.9-62.1-177177.400111L6 K52 R53 R57 Y58 L59L6-E55 VanDerWaalsContact CB-OE1 3.32Å; L6-E55 WeakPolarHBondContact CB-OE1 3.46Å; L6-E55 HydrophobicContact CD1-CG 4.12Å; L6-E55 HydrophobicContact CG-CG 4.12Å; L6-E55 WeakPolarHBondContact CG-OE1 3.37Å; L6-E55 PolarHBondContact N-OE1 3.08Å; K52-E55 HydrophobicContact CB-CB 4.24Å; K52-E55 HydrophobicContact CB-CG 3.88Å; K52-E55 HydrophobicContact CD-CG 4.33Å; K52-E55 WeakPolarHBondContact CD-OE1 3.44Å; K52-E55 IonicContact NZ-OE1 3.76Å; K52-E55 WeakPolarHBondContact O-CB 3.22Å; K52-E55 PolarHBondContact O-N 3.17Å; R53-E55 VanDerWaalsContact C-N 3.3Å; R53-E55 PolarHBondContact O-N 3.39Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.83Å; E55-Y58 WeakPolarHBondContact O-CB 3.44Å; E55-Y58 PolarHBondContact O-N 3.44Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 3.42Å
56I94.3Very high94.5Very high11 Ų1130.8 Ų30.86%0.05615%0.146CC..Hα-helixtrans-63.4-40.3177.4-55.5-45.3000111.2L45 I47 Y51 K52 R53 Y58 L59 V60 V74 L461 W469L45-I56 HydrophobicContact CD2-CG2 4.49Å; I47-I56 HydrophobicContact CB-CD1 3.93Å; I47-I56 HydrophobicContact CD1-CD1 4.4Å; I47-I56 HydrophobicContact CD1-CG1 4.28Å; I47-I56 HydrophobicContact CG2-CD1 3.51Å; I47-I56 HydrophobicContact CG2-CG1 4.31Å; I47-I56 HydrophobicContact CG2-CG2 4.45Å; Y51-I56 HydrophobicContact CD2-CG1 4.06Å; Y51-I56 HydrophobicContact CG-CG1 4.34Å; K52-I56 PolarHBondContact O-N 2.81Å; R53-I56 PolarHBondContact O-N 3.28Å; I56-Y58 VanDerWaalsContact C-N 3.31Å; I56-Y58 PolarHBondContact O-N 3Å; I56-L59 HydrophobicContact CD1-CD1 4.25Å; I56-L59 PolarHBondContact O-N 3.46Å; I56-L59 VanDerWaalsContact O-N 3.16Å; I56-V60 HydrophobicContact CG2-CG2 4.25Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 3.25Å; I56-V74 HydrophobicContact CG2-CG1 4.09Å; I56-L461 HydrophobicContact CG2-CD1 4.37Å; I56-W469 HydrophobicContact CB-CH2 3.79Å; I56-W469 HydrophobicContact CB-CZ3 3.99Å; I56-W469 HydrophobicContact CG1-CH2 4.44Å; I56-W469 HydrophobicContact CG1-CZ3 4.32Å; I56-W469 HydrophobicContact CG2-CH2 3.93Å; I56-W469 HydrophobicContact CG2-CZ3 3.84Å
57R93.3Very high94.5Very high40 Ų4029.1 Ų29.115%0.15114%0.136CC..Hα-helixtrans-57.7-44.7174.4-72169.853.1-169.8-6.9111.8R53 N54 E55 L59 V60 H61 D259 W453 L461 W469R53-R57 VanDerWaalsContact O-CG 3.3Å; R53-R57 WeakPolarHBondContact O-CG 3.39Å; R53-R57 PolarHBondContact O-N 3.11Å; N54-R57 PolarHBondContact O-N 3.01Å; N54-R57 PolarHBondContact OD1-NH1 3.36Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.83Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 3.3Å; R57-V60 PolarHBondContact O-N 2.98Å; R57-H61 WeakPolarHBondContact O-CB 3.46Å; R57-H61 PolarHBondContact O-N 3.47Å; R57-D259 IonicContact CZ-OD1 3.48Å; R57-D259 IonicContact CZ-OD2 3.37Å; R57-D259 IonicContact NE-OD1 3.51Å; R57-D259 PolarHBondContact NE-OD1 3.04Å; R57-D259 IonicContact NE-OD2 3.35Å; R57-D259 PolarHBondContact NE-OD2 3.28Å; R57-D259 VanDerWaalsContact NE-OD2 3.13Å; R57-D259 IonicContact NH1-OD1 2.8Å; R57-D259 PolarHBondContact NH1-OD1 3.08Å; R57-D259 IonicContact NH1-OD2 2.74Å; R57-D259 IonicContact NH2-OD1 3.73Å; R57-D259 PolarHBondContact NH2-OD1 3.02Å; R57-D259 IonicContact NH2-OD2 3.49Å; R57-D259 PolarHBondContact NH2-OD2 2.77Å; R57-W453 HydrophobicContact CB-CH2 4.14Å; R57-W453 HydrophobicContact CB-CZ2 4.45Å; R57-W453 HydrophobicContact CG-CH2 4.18Å; R57-W453 VanDerWaalsContact O-CZ2 3.32Å; R57-W453 WeakPolarHBondContact O-CZ2 3.41Å; R57-L461 HydrophobicContact CG-CD1 4.19Å; R57-W469 HydrophobicContact CG-CZ2 4.19Å
58Y92.3Very high94.6Very high85 Ų8535.4 Ų35.433%0.33316%0.163SC..Hα-helixtrans-63.1-39.5176.4-67.8-46.5000112.4Y12 L16 N54 E55 I56 H61 L62Y12-Y58 AromaticContact CD1-CD2 3.98Å; Y12-Y58 HydrophobicContact CD1-CD2 3.98Å; Y12-Y58 AromaticContact CD1-CE2 3.65Å; Y12-Y58 HydrophobicContact CD1-CE2 3.65Å; Y12-Y58 HydrophobicContact CE1-CD2 4.49Å; Y12-Y58 HydrophobicContact CE1-CE2 4.02Å; Y12-Y58 HydrophobicContact CG-CE2 4.14Å; L16-Y58 HydrophobicContact CD1-CD1 4.21Å; L16-Y58 HydrophobicContact CD1-CG 4.25Å; N54-Y58 HydrophobicContact CB-CE2 4.33Å; N54-Y58 WeakPolarHBondContact O-CD2 3.02Å; N54-Y58 VanDerWaalsContact O-CG 3.31Å; N54-Y58 PolarHBondContact O-N 2.96Å; E55-Y58 WeakPolarHBondContact O-CB 3.44Å; E55-Y58 PolarHBondContact O-N 3.44Å; I56-Y58 VanDerWaalsContact C-N 3.31Å; I56-Y58 PolarHBondContact O-N 3Å; Y58-H61 PolarHBondContact O-N 2.97Å; Y58-L62 WeakPolarHBondContact O-CB 3.23Å; Y58-L62 PolarHBondContact O-N 3.37Å
59L95.8Very high94.8Very high34 Ų3434.7 Ų34.718%0.17816%0.156CC..Hα-helixtrans-67.3-40.9176.4-65.7175.2000112.5L19 W23 L45 E55 I56 R57 L62 L63L19-L59 HydrophobicContact CD1-CD2 3.75Å; W23-L59 HydrophobicContact CH2-CD2 4Å; L45-L59 HydrophobicContact CD1-CD1 4.38Å; L45-L59 HydrophobicContact CD2-CB 3.76Å; L45-L59 HydrophobicContact CD2-CD1 4.38Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 3.42Å; I56-L59 HydrophobicContact CD1-CD1 4.25Å; I56-L59 PolarHBondContact O-N 3.46Å; I56-L59 VanDerWaalsContact O-N 3.16Å; R57-L59 VanDerWaalsContact C-N 3.34Å; R57-L59 PolarHBondContact O-N 3.3Å; L59-L62 HydrophobicContact CD2-CD2 4.43Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 3.2Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.14Å
60V97.3Very high94.9Very high0 Ų035.8 Ų35.80%017%0.167CC..Hα-helixtrans-64.6-43.2176174.50000110.6L45 I56 R57 L63 L64 V72 V74 W453 L461L45-V60 HydrophobicContact CD2-CG2 4.14Å; I56-V60 HydrophobicContact CG2-CG2 4.25Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 3.25Å; R57-V60 PolarHBondContact O-N 2.98Å; V60-L63 PolarHBondContact O-N 3.29Å; V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 3.39Å; V60-V72 HydrophobicContact CG2-CG1 4.44Å; V60-V74 HydrophobicContact CG2-CG2 3.76Å; V60-W453 HydrophobicContact CB-CH2 3.93Å; V60-W453 HydrophobicContact CB-CZ2 4.06Å; V60-W453 HydrophobicContact CB-CZ3 4.18Å; V60-W453 HydrophobicContact CG1-CD2 3.73Å; V60-W453 HydrophobicContact CG1-CE3 3.57Å; V60-W453 HydrophobicContact CG1-CG 4.48Å; V60-W453 HydrophobicContact CG1-CH2 3.84Å; V60-W453 HydrophobicContact CG1-CZ2 3.98Å; V60-W453 HydrophobicContact CG1-CZ3 3.64Å; V60-L461 HydrophobicContact CG2-CD1 4.33Å; V60-L461 HydrophobicContact CG2-CD2 4.14Å
61H96Very high95.1Very high74 Ų7440.2 Ų40.234%0.34318%0.183SC..Hα-helixtrans-62.9-41.3173.7-176.776.7000112.4R57 Y58 L63 N65 R66 W453R57-H61 WeakPolarHBondContact O-CB 3.46Å; R57-H61 PolarHBondContact O-N 3.47Å; Y58-H61 PolarHBondContact O-N 2.97Å; H61-L63 PolarHBondContact O-N 3.27Å; H61-N65 VanDerWaalsContact O-CB 3.31Å; H61-N65 WeakPolarHBondContact O-CB 3.48Å; H61-N65 PolarHBondContact O-N 2.93Å; H61-R66 PolarHBondContact O-N 3.34Å; H61-W453 HydrophobicContact CB-CZ2 4.14Å; H61-W453 AromaticContact CG-NE1 3.93Å; H61-W453 AromaticContact ND1-NE1 3.51Å
62L96.7Very high95.3Very high0 Ų039.6 Ų39.60%018%0.181CC..Iπ-helixtrans-57-49.2173.9170.864.6000111.1L16 L19 E20 W23 Y58 L59 R66 L67L16-L62 HydrophobicContact CD2-CB 4.24Å; L16-L62 HydrophobicContact CD2-CD2 4.17Å; L19-L62 HydrophobicContact CB-CD2 3.78Å; E20-L62 HydrophobicContact CB-CD1 3.66Å; E20-L62 HydrophobicContact CG-CD1 4.04Å; W23-L62 HydrophobicContact CE3-CD2 4Å; W23-L62 HydrophobicContact CZ3-CD2 3.84Å; W23-L62 HydrophobicContact CZ3-CG 4.44Å; Y58-L62 WeakPolarHBondContact O-CB 3.23Å; Y58-L62 PolarHBondContact O-N 3.37Å; L59-L62 HydrophobicContact CD2-CD2 4.43Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 3.2Å; L62-R66 HydrophobicContact CD1-CB 3.93Å; L62-R66 HydrophobicContact CD1-CG 4.46Å; L62-R66 WeakPolarHBondContact O-CB 3.41Å; L62-R66 PolarHBondContact O-N 3.41Å; L62-L67 HydrophobicContact CD1-CD1 4.44Å; L62-L67 HydrophobicContact CD1-CG 4.31Å; L62-L67 HydrophobicContact CG-CD1 4.3Å; L62-L67 PolarHBondContact O-N 2.98Å
63L98Very high95.6Very high8 Ų835.8 Ų35.84%0.04216%0.164CC..Iπ-helixtrans-64.8-49.1-179.7-71.2168.9000112.5W23 A43 L45 L59 V60 H61 L67 K68 F69 V72W23-L63 HydrophobicContact CE3-CD2 3.91Å; W23-L63 HydrophobicContact CZ3-CD1 4.41Å; W23-L63 HydrophobicContact CZ3-CD2 3.55Å; W23-L63 HydrophobicContact CZ3-CG 3.87Å; A43-L63 HydrophobicContact CB-CD1 4.4Å; A43-L63 HydrophobicContact CB-CD2 4.15Å; L45-L63 HydrophobicContact CB-CD1 3.98Å; L45-L63 HydrophobicContact CD1-CD1 4.26Å; L45-L63 HydrophobicContact CD2-CD1 4.22Å; L45-L63 HydrophobicContact CG-CD1 4.38Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 3.14Å; V60-L63 PolarHBondContact O-N 3.29Å; H61-L63 PolarHBondContact O-N 3.27Å; L63-L67 HydrophobicContact CD2-CD1 4.19Å; L63-K68 PolarHBondContact O-N 3.28Å; L63-K68 VanDerWaalsContact O-N 3.13Å; L63-F69 HydrophobicContact CB-CD2 4.33Å; L63-F69 HydrophobicContact CD2-CD2 3.8Å; L63-F69 HydrophobicContact CD2-CE2 3.77Å; L63-F69 PolarHBondContact O-N 3.46Å; L63-V72 HydrophobicContact CB-CG2 3.49Å; L63-V72 VanDerWaalsContact CB-CG2 3.49Å; L63-V72 HydrophobicContact CD1-CG1 4.08Å; L63-V72 HydrophobicContact CD1-CG2 3.91Å; L63-V72 HydrophobicContact CG-CG2 4.31Å
64L98.1Very high96Very high4 Ų435.2 Ų35.22%0.02116%0.163CC..Iπ-helixtrans-80-40.2-173.2-67.8175.2000113.8V60 K68 V72 I448 P450 W453V60-L64 HydrophobicContact CG1-CD1 3.73Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CB 3.38Å; V60-L64 PolarHBondContact O-N 3.39Å; L64-K68 WeakPolarHBondContact O-CA 3.36Å; L64-V72 HydrophobicContact CD1-CB 4.48Å; L64-V72 HydrophobicContact CD1-CG2 4.5Å; L64-V72 HydrophobicContact CD2-CB 3.98Å; L64-V72 HydrophobicContact CD2-CG2 3.53Å; L64-V72 HydrophobicContact CG-CB 4.16Å; L64-V72 HydrophobicContact CG-CG2 3.68Å; L64-I448 HydrophobicContact CD1-CG2 3.86Å; L64-P450 HydrophobicContact CB-CG 4.45Å; L64-P450 HydrophobicContact CD2-CG 4.01Å; L64-W453 HydrophobicContact CD1-CB 3.52Å; L64-W453 HydrophobicContact CD1-CD2 4.27Å; L64-W453 HydrophobicContact CD1-CG 3.73Å
65N96.5Very high96.3Very high47 Ų4731.9 Ų31.925%0.25115%0.145SC..Iπ-helixtrans-101.8-39.8-170.9-68.164000113H61 W453 N454H61-N65 VanDerWaalsContact O-CB 3.31Å; H61-N65 WeakPolarHBondContact O-CB 3.48Å; H61-N65 PolarHBondContact O-N 2.93Å; N65-W453 VanDerWaalsContact OD1-CD1 3.24Å; N65-N454 PolarHBondContact ND2-OD1 3.43Å
66R96.4Very high96.6Very high53 Ų5330.8 Ų30.820%0.214%0.14CC..Iπ-helixtrans-89.2-51.1-174.9-62.3-175.961.6164.81.5111.8E20 R35 H61 L62E20-R66 WeakPolarHBondContact OE2-CB 3.36Å; E20-R66 IonicContact OE2-CZ 3.17Å; E20-R66 IonicContact OE2-NE 2.97Å; E20-R66 PolarHBondContact OE2-NE 3.39Å; E20-R66 IonicContact OE2-NH2 3.86Å; E20-R66 PolarHBondContact OE2-NH2 3.43Å; R35-R66 PolarHBondContact NH2-O 3.41Å; H61-R66 PolarHBondContact O-N 3.34Å; L62-R66 HydrophobicContact CD1-CB 3.93Å; L62-R66 HydrophobicContact CD1-CG 4.46Å; L62-R66 WeakPolarHBondContact O-CB 3.41Å; L62-R66 PolarHBondContact O-N 3.41Å
67L97.3Very high96.6Very high0 Ų030.8 Ų30.80%014%0.141CC..SBendtrans-81.4-18.7174.4-68.5174.5000113E20 W23 S24 L38 L62 L63 F69E20-L67 HydrophobicContact CG-CD2 3.77Å; E20-L67 HydrophobicContact CG-CG 4.32Å; W23-L67 HydrophobicContact CB-CD1 4.26Å; W23-L67 HydrophobicContact CE3-CD1 3.79Å; S24-L67 WeakPolarHBondContact OG-CD2 3.47Å; L38-L67 WeakPolarHBondContact CB-O 3.26Å; L38-L67 HydrophobicContact CD1-CB 4.18Å; L38-L67 HydrophobicContact CD1-CD2 4.36Å; L38-L67 WeakPolarHBondContact CD1-O 3.27Å; L62-L67 HydrophobicContact CD1-CD1 4.44Å; L62-L67 HydrophobicContact CD1-CG 4.31Å; L62-L67 HydrophobicContact CG-CD1 4.3Å; L62-L67 PolarHBondContact O-N 2.98Å; L63-L67 HydrophobicContact CD2-CD1 4.19Å; L67-F69 HydrophobicContact CB-CD2 3.93Å; L67-F69 HydrophobicContact CB-CE2 4.06Å; L67-F69 HydrophobicContact CD1-CE2 4.16Å
68K97.6Very high96.8Very high141 Ų14129 Ų2961%0.61314%0.135SC*.  trans64.636.4174.6-54.5-178.5178.3179.20114.2L38 S39 L63 L64L38-K68 CarbonylContact C-O 3.5Å; S39-K68 WeakPolarHBondContact CA-O 3.29Å; S39-K68 PolarHBondContact N-O 3.02Å; S39-K68 VanDerWaalsContact N-O 3.12Å; L63-K68 PolarHBondContact O-N 3.28Å; L63-K68 VanDerWaalsContact O-N 3.13Å; L64-K68 WeakPolarHBondContact O-CA 3.36Å
69F98.4Very high97Very high17 Ų1724.9 Ų24.98%0.07512%0.119CC..  trans-58.1143.2167.7-81.1-86.6000110.9L27 L38 A43 L63 L67 R71L27-F69 HydrophobicContact CD1-CE2 4.26Å; L27-F69 HydrophobicContact CD1-CZ 3.9Å; L38-F69 HydrophobicContact CD1-CE2 4.1Å; L38-F69 HydrophobicContact CD1-CZ 4.31Å; L38-F69 HydrophobicContact CD2-CE1 4Å; L38-F69 HydrophobicContact CD2-CE2 4.41Å; L38-F69 HydrophobicContact CD2-CZ 3.81Å; L38-F69 HydrophobicContact CG-CZ 4.46Å; L38-F69 WeakPolarHBondContact O-CA 3.12Å; A43-F69 HydrophobicContact CB-CB 4.47Å; A43-F69 HydrophobicContact CB-CD1 3.76Å; A43-F69 HydrophobicContact CB-CD2 4.24Å; A43-F69 HydrophobicContact CB-CE1 3.95Å; A43-F69 HydrophobicContact CB-CE2 4.41Å; A43-F69 HydrophobicContact CB-CG 3.9Å; A43-F69 HydrophobicContact CB-CZ 4.26Å; L63-F69 HydrophobicContact CB-CD2 4.33Å; L63-F69 HydrophobicContact CD2-CD2 3.8Å; L63-F69 HydrophobicContact CD2-CE2 3.77Å; L63-F69 PolarHBondContact O-N 3.46Å; L67-F69 HydrophobicContact CB-CD2 3.93Å; L67-F69 HydrophobicContact CB-CE2 4.06Å; L67-F69 HydrophobicContact CD1-CE2 4.16Å; F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 2.9Å
70G97.9Very high97Very high24 Ų2423.3 Ų23.325%0.24711%0.11CC..SBendtrans-66.3-33.4-178.500000113.1S39 Y41 P450S39-G70 WeakPolarHBondContact O-CA 3.49Å; Y41-G70 PolarHBondContact O-N 3.18Å; G70-P450 WeakPolarHBondContact O-CD 3.32Å
71R97.7Very high96.9Very high97 Ų9723.3 Ų23.337%0.36611%0.11SC..EExtended strand (participates in β ladder)trans-154.3156.3175.6-54.2-172.7-178.9-153.9-3.5111.4R42 A43 F69 W447 I448 T449R42-R71 CarbonylContact C-O 3.57Å; R42-R71 WeakPolarHBondContact CA-O 3.31Å; R42-R71 HydrophobicContact CB-CB 4.31Å; R42-R71 HydrophobicContact CG-CB 4.02Å; R42-R71 HydrophobicContact CG-CG 4.38Å; A43-R71 PolarHBondContact N-O 2.97Å; F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 2.9Å; R71-W447 HydrophobicContact CB-CB 4.12Å; R71-W447 HydrophobicContact CB-CD2 4.36Å; R71-W447 HydrophobicContact CB-CE3 3.84Å; R71-W447 HydrophobicContact CG-CB 4.48Å; R71-I448 CarbonylContact C-O 3.37Å; R71-I448 VanDerWaalsContact CA-O 3.26Å; R71-I448 WeakPolarHBondContact CA-O 3.36Å; R71-T449 HydrophobicContact CG-CG2 4.19Å
72V97.9Very high96.8Very high0 Ų019.8 Ų19.80%09%0.094CC..EExtended strand (participates in β ladder)trans-127.2140.5173.8170.30000110.5A43 L45 V60 L63 L64 V74 I448A43-V72 HydrophobicContact CB-CG2 4.29Å; A43-V72 CarbonylContact O-C 3.56Å; A43-V72 VanDerWaalsContact O-CA 3.27Å; A43-V72 WeakPolarHBondContact O-CA 3.5Å; L45-V72 HydrophobicContact CB-CG1 4.43Å; V60-V72 HydrophobicContact CG2-CG1 4.44Å; L63-V72 HydrophobicContact CB-CG2 3.49Å; L63-V72 VanDerWaalsContact CB-CG2 3.49Å; L63-V72 HydrophobicContact CD1-CG1 4.08Å; L63-V72 HydrophobicContact CD1-CG2 3.91Å; L63-V72 HydrophobicContact CG-CG2 4.31Å; L64-V72 HydrophobicContact CD1-CB 4.48Å; L64-V72 HydrophobicContact CD1-CG2 4.5Å; L64-V72 HydrophobicContact CD2-CB 3.98Å; L64-V72 HydrophobicContact CD2-CG2 3.53Å; L64-V72 HydrophobicContact CG-CB 4.16Å; L64-V72 HydrophobicContact CG-CG2 3.68Å; V72-V74 HydrophobicContact CG1-CG2 3.95Å; V72-I448 PolarHBondContact N-O 3.35Å; V72-I448 PolarHBondContact O-N 3.18Å
73F97.1Very high96.7Very high5 Ų523.4 Ų23.42%0.02211%0.108CC..EExtended strand (participates in β ladder)trans-122.6136.5167.3172.6-102.3000108.6A43 I44 L45 H75 L437 I443 L446 W447 P466A43-F73 PolarHBondContact O-N 3.39Å; I44-F73 CarbonylContact C-O 3.5Å; I44-F73 WeakPolarHBondContact CA-O 3.48Å; I44-F73 HydrophobicContact CG1-CB 4.42Å; I44-F73 HydrophobicContact CG1-CD1 4.21Å; I44-F73 HydrophobicContact CG2-CD1 4.03Å; L45-F73 PolarHBondContact N-O 3.2Å; F73-H75 HydrophobicContact CD1-CB 4.35Å; F73-H75 HydrophobicContact CE1-CB 3.62Å; F73-H75 HydrophobicContact CZ-CB 4.13Å; F73-L437 HydrophobicContact CE1-CD1 4.13Å; F73-I443 HydrophobicContact CB-CD1 4.01Å; F73-I443 HydrophobicContact CB-CG1 4.31Å; F73-I443 HydrophobicContact CD1-CD1 3.31Å; F73-I443 HydrophobicContact CD1-CG1 3.92Å; F73-I443 HydrophobicContact CD2-CD1 3.89Å; F73-I443 HydrophobicContact CD2-CG1 3.52Å; F73-I443 HydrophobicContact CE1-CD1 3.56Å; F73-I443 HydrophobicContact CE1-CG1 4Å; F73-I443 HydrophobicContact CE2-CD1 4.12Å; F73-I443 HydrophobicContact CE2-CG1 3.63Å; F73-I443 HydrophobicContact CG-CD1 3.46Å; F73-I443 VanDerWaalsContact CG-CD1 3.46Å; F73-I443 HydrophobicContact CG-CG1 3.65Å; F73-I443 HydrophobicContact CZ-CD1 3.94Å; F73-I443 HydrophobicContact CZ-CG1 3.84Å; F73-L446 HydrophobicContact CD2-CB 3.74Å; F73-L446 HydrophobicContact CE2-CB 3.58Å; F73-L446 HydrophobicContact CE2-CD1 3.8Å; F73-L446 HydrophobicContact CE2-CG 4.37Å; F73-W447 HydrophobicContact CB-CD2 4.1Å; F73-W447 HydrophobicContact CB-CE3 3.61Å; F73-W447 HydrophobicContact CB-CH2 4.05Å; F73-W447 HydrophobicContact CB-CZ2 4.49Å; F73-W447 HydrophobicContact CB-CZ3 3.57Å; F73-P466 HydrophobicContact CE2-CG 4Å; F73-P466 HydrophobicContact CZ-CG 3.79Å
74V97.2Very high96.4Very high4 Ų423.8 Ų23.82%0.02412%0.115CC..EExtended strand (participates in β ladder)trans-116.1131.2-175.6-173.80000109.2L45 I47 I56 V60 V72 L461 P466 F467L45-V74 HydrophobicContact CB-CG2 4.3Å; L45-V74 HydrophobicContact CD2-CG1 4.44Å; L45-V74 HydrophobicContact CD2-CG2 4.27Å; L45-V74 WeakPolarHBondContact O-CA 3.32Å; I47-V74 HydrophobicContact CD1-CG1 3.98Å; I47-V74 HydrophobicContact CG1-CG1 4.21Å; I47-V74 HydrophobicContact CG2-CG1 3.69Å; I56-V74 HydrophobicContact CG2-CG1 4.09Å; V60-V74 HydrophobicContact CG2-CG2 3.76Å; V72-V74 HydrophobicContact CG1-CG2 3.95Å; V74-L461 HydrophobicContact CB-CD2 4.18Å; V74-L461 HydrophobicContact CG2-CD2 3.7Å; V74-P466 WeakPolarHBondContact O-CD 3.28Å; V74-F467 HydrophobicContact CG1-CE1 4.38Å; V74-F467 HydrophobicContact CG1-CZ 4.22Å
75H96Very high96Very high3 Ų326.1 Ų26.11%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-151.2158.8178-160.134.9000114L45 V46 I47 F73 V79 C80 Y83 P466L45-H75 PolarHBondContact O-N 2.9Å; V46-H75 CarbonylContact C-O 3.48Å; V46-H75 WeakPolarHBondContact CA-O 3.27Å; I47-H75 WeakPolarHBondContact CG1-O 3.46Å; I47-H75 PolarHBondContact N-O 3.24Å; F73-H75 HydrophobicContact CD1-CB 4.35Å; F73-H75 HydrophobicContact CE1-CB 3.62Å; F73-H75 HydrophobicContact CZ-CB 4.13Å; H75-V79 WeakPolarHBondContact NE2-CB 3.23Å; H75-V79 WeakPolarHBondContact NE2-CG1 3.43Å; H75-C80 PolarHBondContact CD2-SG 3.3Å; H75-Y83 AromaticContact CD2-CE2 3.99Å; H75-Y83 AromaticContact NE2-CE2 3.48Å; H75-Y83 WeakPolarHBondContact NE2-CE2 3.31Å; H75-P466 VanDerWaalsContact ND1-CG 3.3Å; H75-P466 WeakPolarHBondContact ND1-CG 3.45Å
76Q96.2Very high95.8Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-82139.4-172.4-61.2-172.3-64.300111.5I47 D49 S78 V79 C80 F467I47-Q76 HydrophobicContact CG1-CG 4.34Å; I47-Q76 CarbonylContact O-C 3.28Å; I47-Q76 WeakPolarHBondContact O-CA 3.43Å; D49-Q76 PolarHBondContact O-NE2 3.46Å; D49-Q76 WeakPolarHBondContact OD1-CB 3.15Å; Q76-S78 PolarHBondContact O-N 3.25Å; Q76-V79 HydrophobicContact CB-CG2 4.17Å; Q76-V79 PolarHBondContact O-N 3.09Å; Q76-C80 PolarHBondContact O-N 3.06Å; Q76-C80 PolarHBondContact O-SG 2.96Å; Q76-F467 HydrophobicContact CG-CB 4.43Å; Q76-F467 HydrophobicContact CG-CD1 3.9Å; Q76-F467 HydrophobicContact CG-CD2 4.31Å; Q76-F467 HydrophobicContact CG-CE1 4.21Å; Q76-F467 HydrophobicContact CG-CG 3.96Å
77A95.6Very high95.6Very high11 Ų1126.4 Ų26.49%0.09115%0.146CC..Hα-helixtrans-60.3-42.9-175.600000112.4V46 I47 V79 C80 A81 S430V46-A77 HydrophobicContact CG1-CB 3.84Å; I47-A77 WeakPolarHBondContact O-CB 3.09Å; I47-A77 PolarHBondContact O-N 3.42Å; A77-V79 PolarHBondContact O-N 2.78Å; A77-C80 PolarHBondContact O-N 2.88Å; A77-A81 PolarHBondContact O-N 3.47Å; A77-S430 PolarHBondContact O-OG 2.76Å
78S96.7Very high95.4Very high1 Ų129.6 Ų29.61%0.00717%0.167CC..Hα-helixtrans-61.1-44.6178.958.80000112.1D49 Q76 C80 A81 T82 V105 A110D49-S78 VanDerWaalsContact CG-CB 3.47Å; D49-S78 WeakPolarHBondContact OD1-CB 3.44Å; D49-S78 PolarHBondContact OD1-N 3.01Å; D49-S78 PolarHBondContact OD1-OG 3.06Å; D49-S78 VanDerWaalsContact OD2-CB 3.27Å; D49-S78 WeakPolarHBondContact OD2-CB 3.33Å; D49-S78 PolarHBondContact OD2-OG 3.12Å; Q76-S78 PolarHBondContact O-N 3.25Å; S78-C80 VanDerWaalsContact C-N 3.34Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 3.39Å; S78-A81 VanDerWaalsContact O-N 3.14Å; S78-T82 WeakPolarHBondContact O-CG2 3.29Å; S78-T82 PolarHBondContact O-N 2.91Å; S78-V105 WeakPolarHBondContact OG-CG2 3.37Å; S78-A110 WeakPolarHBondContact OG-CB 3.45Å
79V96.5Very high95.3Very high0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-67-38.8178.1-170.60000111H75 Q76 A77 A81 T82 Y83 V105 G108 A110H75-V79 WeakPolarHBondContact NE2-CB 3.23Å; H75-V79 WeakPolarHBondContact NE2-CG1 3.43Å; Q76-V79 HydrophobicContact CB-CG2 4.17Å; Q76-V79 PolarHBondContact O-N 3.09Å; A77-V79 PolarHBondContact O-N 2.78Å; V79-A81 VanDerWaalsContact C-N 3.28Å; V79-A81 PolarHBondContact O-N 3.48Å; V79-T82 PolarHBondContact O-N 3.39Å; V79-T82 PolarHBondContact O-OG1 3.11Å; V79-Y83 HydrophobicContact CG1-CD2 4.31Å; V79-Y83 HydrophobicContact CG1-CE1 4.43Å; V79-Y83 HydrophobicContact CG1-CE2 3.56Å; V79-Y83 VanDerWaalsContact O-CD2 3.27Å; V79-Y83 WeakPolarHBondContact O-CD2 3.32Å; V79-Y83 PolarHBondContact O-N 2.87Å; V79-Y83 VanDerWaalsContact O-N 3.12Å; V79-V105 HydrophobicContact CB-CG1 4.46Å; V79-V105 HydrophobicContact CG1-CG1 4.36Å; V79-V105 HydrophobicContact CG2-CG1 4.1Å; V79-V105 HydrophobicContact CG2-CG2 4.18Å; V79-G108 VanDerWaalsContact CG1-O 3.27Å; V79-G108 WeakPolarHBondContact CG1-O 3.44Å; V79-A110 HydrophobicContact CG2-CB 3.96Å
80C95.4Very high95.3Very high0 Ų022.3 Ų22.30%014%0.136CC..Hα-helixtrans-63.3-38.1173.1-60.30000111.1H75 Q76 A77 S78 T82 Y83 G84 S430 G433 A434H75-C80 PolarHBondContact CD2-SG 3.3Å; Q76-C80 PolarHBondContact O-N 3.06Å; Q76-C80 PolarHBondContact O-SG 2.96Å; A77-C80 PolarHBondContact O-N 2.88Å; S78-C80 VanDerWaalsContact C-N 3.34Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.06Å; C80-Y83 PolarHBondContact O-N 2.83Å; C80-G84 PolarHBondContact O-N 3.43Å; C80-S430 WeakPolarHBondContact CB-O 3.19Å; C80-G433 VanDerWaalsContact O-CA 3.24Å; C80-G433 WeakPolarHBondContact O-CA 3.35Å; C80-A434 HydrophobicContact CB-CB 4.27Å
81A94.8Very high95.2Very high0 Ų021.2 Ų21.20%012%0.124CC..Hα-helixtrans-63.8-37.6176.300000112.2A77 S78 V79 G84 I85 V92 T378 L429A77-A81 PolarHBondContact O-N 3.47Å; S78-A81 WeakPolarHBondContact O-CB 3.41Å; S78-A81 PolarHBondContact O-N 3.39Å; S78-A81 VanDerWaalsContact O-N 3.14Å; V79-A81 VanDerWaalsContact C-N 3.28Å; V79-A81 PolarHBondContact O-N 3.48Å; A81-G84 PolarHBondContact O-N 2.87Å; A81-G84 VanDerWaalsContact O-N 3.15Å; A81-I85 PolarHBondContact O-N 3.44Å; A81-I85 VanDerWaalsContact O-N 3.17Å; A81-V92 HydrophobicContact CB-CG1 3.96Å; A81-T378 HydrophobicContact CB-CG2 4.3Å; A81-L429 HydrophobicContact CB-CB 4.41Å; A81-L429 HydrophobicContact CB-CD2 4.15Å; A81-L429 HydrophobicContact CB-CG 4.26Å; A81-L429 WeakPolarHBondContact O-CD2 3.32Å
82T95.4Very high95.2Very high1 Ų116.6 Ų16.61%0.00611%0.107CC..Hα-helixtrans-66-37.4175.867.30000112.5S78 V79 C80 G84 I85 G86 L87 A90 V92 V105 I376S78-T82 WeakPolarHBondContact O-CG2 3.29Å; S78-T82 PolarHBondContact O-N 2.91Å; V79-T82 PolarHBondContact O-N 3.39Å; V79-T82 PolarHBondContact O-OG1 3.11Å; C80-T82 VanDerWaalsContact C-N 3.33Å; C80-T82 PolarHBondContact O-N 3.06Å; T82-G84 VanDerWaalsContact C-N 3.33Å; T82-I85 WeakPolarHBondContact O-CG2 3.18Å; T82-I85 PolarHBondContact O-N 2.91Å; T82-G86 PolarHBondContact O-N 2.7Å; T82-L87 VanDerWaalsContact CB-O 3.29Å; T82-L87 WeakPolarHBondContact CB-O 3.48Å; T82-L87 PolarHBondContact O-N 3.41Å; T82-L87 VanDerWaalsContact O-N 3.11Å; T82-A90 HydrophobicContact CG2-CB 4.03Å; T82-V92 HydrophobicContact CG2-CG2 3.74Å; T82-V105 HydrophobicContact CG2-CB 3.64Å; T82-V105 HydrophobicContact CG2-CG1 3.67Å; T82-V105 HydrophobicContact CG2-CG2 3.99Å; T82-I376 HydrophobicContact CG2-CD1 4.01Å
83Y94Very high95.1Very high75 Ų7516.6 Ų16.629%0.29411%0.107SC..Hα-helixtrans-65.4-36.4169.9-60.5-38.8000112.8H75 V79 C80 I85 G86 G108 L436 L437H75-Y83 AromaticContact CD2-CE2 3.99Å; H75-Y83 AromaticContact NE2-CE2 3.48Å; H75-Y83 WeakPolarHBondContact NE2-CE2 3.31Å; V79-Y83 HydrophobicContact CG1-CD2 4.31Å; V79-Y83 HydrophobicContact CG1-CE1 4.43Å; V79-Y83 HydrophobicContact CG1-CE2 3.56Å; V79-Y83 VanDerWaalsContact O-CD2 3.27Å; V79-Y83 WeakPolarHBondContact O-CD2 3.32Å; V79-Y83 PolarHBondContact O-N 2.87Å; V79-Y83 VanDerWaalsContact O-N 3.12Å; C80-Y83 PolarHBondContact O-N 2.83Å; Y83-I85 VanDerWaalsContact C-N 3.27Å; Y83-I85 PolarHBondContact O-N 2.64Å; Y83-G86 PolarHBondContact O-N 3.13Å; Y83-G108 WeakPolarHBondContact OH-CA 3.32Å; Y83-L436 WeakPolarHBondContact O-CD1 3.21Å; Y83-L437 HydrophobicContact CD2-CD1 3.68Å; Y83-L437 HydrophobicContact CD2-CD2 3.52Å; Y83-L437 HydrophobicContact CD2-CG 3.48Å; Y83-L437 VanDerWaalsContact CD2-CG 3.48Å; Y83-L437 HydrophobicContact CE2-CD1 3.75Å; Y83-L437 HydrophobicContact CE2-CD2 3.32Å; Y83-L437 HydrophobicContact CE2-CG 3.74Å; Y83-L437 HydrophobicContact CG-CD2 4.33Å; Y83-L437 HydrophobicContact CG-CG 4.37Å
84G91.1Very high95Very high17 Ų1717.6 Ų17.618%0.17511%0.112CC..Hα-helixtrans-60.6-36.5178.400000113C80 A81 T82 G433C80-G84 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 2.87Å; A81-G84 VanDerWaalsContact O-N 3.15Å; T82-G84 VanDerWaalsContact C-N 3.33Å; G84-G433 VanDerWaalsContact CA-CA 3.49Å
85I91Very high94.8Very high52 Ų5217.4 Ų17.427%0.26711%0.111SC..Hα-helixtrans-92.6-21.3178.4-157.170.6000113.3A81 T82 Y83 L87 I376 I421 L429A81-I85 PolarHBondContact O-N 3.44Å; A81-I85 VanDerWaalsContact O-N 3.17Å; T82-I85 WeakPolarHBondContact O-CG2 3.18Å; T82-I85 PolarHBondContact O-N 2.91Å; Y83-I85 VanDerWaalsContact C-N 3.27Å; Y83-I85 PolarHBondContact O-N 2.64Å; I85-L87 HydrophobicContact CG1-CD1 4.38Å; I85-L87 HydrophobicContact CG2-CB 3.74Å; I85-L87 HydrophobicContact CG2-CD1 3.82Å; I85-L87 HydrophobicContact CG2-CG 3.71Å; I85-I376 HydrophobicContact CB-CD1 4.43Å; I85-I376 HydrophobicContact CG2-CD1 3.47Å; I85-I376 VanDerWaalsContact CG2-CD1 3.47Å; I85-I376 HydrophobicContact CG2-CG1 4.25Å; I85-I421 HydrophobicContact CD1-CG2 3.71Å; I85-I421 HydrophobicContact CG1-CG2 3.86Å; I85-L429 HydrophobicContact CB-CD2 4.18Å
86G91.9Very high94.6Very high61 Ų6118 Ų1863%0.62912%0.118SC*.THydrogen-bonded Turntrans83.129.1-176.800000114.5T82 Y83T82-G86 PolarHBondContact O-N 2.7Å; Y83-G86 PolarHBondContact O-N 3.13Å
87L92.4Very high94.3Very high46 Ų4621.1 Ų21.124%0.24113%0.133CC..  trans-109.6129.7177.3-67.8173.9000110.3T82 I85 T89 C374 I421T82-L87 VanDerWaalsContact CB-O 3.29Å; T82-L87 WeakPolarHBondContact CB-O 3.48Å; T82-L87 PolarHBondContact O-N 3.41Å; T82-L87 VanDerWaalsContact O-N 3.11Å; I85-L87 HydrophobicContact CG1-CD1 4.38Å; I85-L87 HydrophobicContact CG2-CB 3.74Å; I85-L87 HydrophobicContact CG2-CD1 3.82Å; I85-L87 HydrophobicContact CG2-CG 3.71Å; L87-T89 VanDerWaalsContact C-N 3.34Å; L87-C374 HydrophobicContact CD1-CB 4.28Å; L87-I421 HydrophobicContact CD1-CD1 3.5Å; L87-I421 VanDerWaalsContact CD1-CD1 3.5Å
88P92.9Very high94.1Very high67 Ų6724.2 Ų24.244%0.43515%0.145SC..SBendtrans-75.9-25179.429.9-34.7000112.7E106 D107P88-E106 CarbonylContact O-C 3.54Å; P88-E106 WeakPolarHBondContact O-CA 3.17Å; P88-D107 PolarHBondContact O-N 2.86Å
89T95.3Very high93.9Very high5 Ų525.9 Ų25.93%0.03115%0.152CC..EExtended strand (participates in β ladder)trans-133.2125.2-176.4-49.20000109.5L87 V105 E106 L367 R370 L371 C374L87-T89 VanDerWaalsContact C-N 3.34Å; T89-V105 VanDerWaalsContact CA-O 3.27Å; T89-V105 WeakPolarHBondContact CA-O 3.33Å; T89-E106 HydrophobicContact CG2-CB 4.47Å; T89-E106 HydrophobicContact CG2-CG 4.37Å; T89-L367 HydrophobicContact CG2-CD1 3.83Å; T89-R370 PolarHBondContact OG1-NH2 3.32Å; T89-L371 HydrophobicContact CG2-CD2 3.78Å; T89-L371 HydrophobicContact CG2-CG 4.28Å; T89-C374 WeakPolarHBondContact O-CB 3.44Å
90A97.3Very high93.9Very high0 Ų025.9 Ų25.90%015%0.152CC..EExtended strand (participates in β ladder)trans-159.8153.9177.100000112T82 V92 V105 L371 C374 I376T82-A90 HydrophobicContact CG2-CB 4.03Å; A90-V92 HydrophobicContact CB-CG2 4.44Å; A90-V105 PolarHBondContact N-O 3.01Å; A90-V105 PolarHBondContact O-N 3.5Å; A90-L371 VanDerWaalsContact C-CD2 3.48Å; A90-C374 CarbonylContact C-O 3.57Å; A90-C374 WeakPolarHBondContact CA-O 3.17Å; A90-C374 HydrophobicContact CB-CB 4.27Å; A90-C374 WeakPolarHBondContact CB-O 3.33Å; A90-I376 HydrophobicContact CB-CD1 3.47Å; A90-I376 VanDerWaalsContact CB-CD1 3.47Å; A90-I376 HydrophobicContact CB-CG1 3.85Å
91C97.8Very high93.9Very high0 Ų026 Ų260%015%0.153CC..EExtended strand (participates in β ladder)trans-89.5115.3160.8-175.30000108.4I329 C374 I375 I376C91-I329 HydrophobicContact CB-CD1 3.91Å; C91-I329 HydrophobicContact CB-CG1 3.88Å; C91-C374 PolarHBondContact N-O 3.16Å; C91-I375 HydrophobicContact CB-CG1 4.3Å; C91-I375 CarbonylContact O-C 2.98Å; C91-I375 VanDerWaalsContact O-CA 3.31Å; C91-I375 WeakPolarHBondContact O-CA 3.39Å; C91-I376 PolarHBondContact O-N 3.28Å
92V97Very high94Very high1 Ų126 Ų261%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-99.2124.5-177.2-1720000110.2A81 T82 A90 V102 S103 V105 I376 T378A81-V92 HydrophobicContact CB-CG1 3.96Å; T82-V92 HydrophobicContact CG2-CG2 3.74Å; A90-V92 HydrophobicContact CB-CG2 4.44Å; V92-V102 CarbonylContact O-C 3.41Å; V92-V102 VanDerWaalsContact O-CA 3.31Å; V92-V102 WeakPolarHBondContact O-CA 3.35Å; V92-S103 PolarHBondContact N-O 3.37Å; V92-S103 PolarHBondContact O-N 3.49Å; V92-V105 HydrophobicContact CG2-CG2 4.1Å; V92-I376 HydrophobicContact CG1-CB 4.43Å; V92-I376 HydrophobicContact CG1-CG2 4.39Å; V92-I376 HydrophobicContact CG2-CB 4.35Å; V92-I376 HydrophobicContact CG2-CD1 4.21Å; V92-T378 HydrophobicContact CG1-CG2 3.98Å
93I96Very high94.1Very high0 Ų026 Ų260%015%0.153CC..EExtended strand (participates in β ladder)trans-111.9112174.7-54.2172.3000107.5I95 T100 S101 V102 L321 V325 I375 I376 L377 T378 L394I93-I95 HydrophobicContact CG2-CG1 4.11Å; I93-T100 HydrophobicContact CG2-CG2 3.81Å; I93-S101 CarbonylContact C-O 3.59Å; I93-S101 WeakPolarHBondContact CA-O 3.48Å; I93-V102 HydrophobicContact CG1-CG1 4.39Å; I93-V102 HydrophobicContact CG1-CG2 4.31Å; I93-V102 HydrophobicContact CG2-CG2 4.42Å; I93-L321 HydrophobicContact CG2-CD1 4.19Å; I93-L321 HydrophobicContact CG2-CD2 4.34Å; I93-V325 HydrophobicContact CD1-CG1 4.32Å; I93-V325 HydrophobicContact CD1-CG2 3.42Å; I93-V325 VanDerWaalsContact CD1-CG2 3.42Å; I93-V325 HydrophobicContact CG1-CG2 3.95Å; I93-I375 HydrophobicContact CD1-CG2 3.52Å; I93-I375 HydrophobicContact CG1-CG2 4.12Å; I93-I376 PolarHBondContact N-O 3.06Å; I93-L377 HydrophobicContact CB-CD1 4.04Å; I93-L377 HydrophobicContact CG2-CD1 3.87Å; I93-T378 PolarHBondContact O-N 3.16Å; I93-L394 HydrophobicContact CD1-CD2 3.59Å
94N93.8Very high94.3Very high25 Ų2522.4 Ų22.413%0.13414%0.139CC..EExtended strand (participates in β ladder)trans-106.1103.8174.8-172.5-36.1000109.8T100 S101 T378 G379N94-T100 CarbonylContact O-C 3.53Å; N94-T100 VanDerWaalsContact O-CA 3.26Å; N94-T100 WeakPolarHBondContact O-CA 3.33Å; N94-S101 WeakPolarHBondContact CB-OG 3.34Å; N94-S101 PolarHBondContact N-O 3.34Å; N94-S101 PolarHBondContact O-N 2.78Å; N94-T378 CarbonylContact C-O 3.54Å; N94-T378 VanDerWaalsContact CA-O 3.26Å; N94-T378 WeakPolarHBondContact CA-O 3.38Å; N94-T378 HydrophobicContact CB-CG2 3.85Å; N94-G379 WeakPolarHBondContact OD1-CA 3.04Å
95I93.1Very high94.6Very high0 Ų021.6 Ų21.60%013%0.131CC..EExtended strand (participates in β ladder)trans-87.1110.6174.1-54.2-175.9000108.4I93 T100 F232 L321 L377 T378 G379 G381 V382 M390I93-I95 HydrophobicContact CG2-CG1 4.11Å; I95-T100 HydrophobicContact CG1-CG2 3.89Å; I95-F232 HydrophobicContact CD1-CE1 3.98Å; I95-F232 HydrophobicContact CD1-CZ 4.05Å; I95-F232 HydrophobicContact CG1-CE1 4.4Å; I95-F232 HydrophobicContact CG2-CE1 3.99Å; I95-F232 HydrophobicContact CG2-CZ 3.7Å; I95-L321 HydrophobicContact CD1-CD2 4.42Å; I95-L377 HydrophobicContact CD1-CD1 3.8Å; I95-L377 HydrophobicContact CG1-CD1 4.03Å; I95-T378 PolarHBondContact N-O 3.1Å; I95-G379 CarbonylContact O-C 3.54Å; I95-G379 VanDerWaalsContact O-C 3.28Å; I95-G379 WeakPolarHBondContact O-CA 3.43Å; I95-G381 VanDerWaalsContact O-CA 3.22Å; I95-G381 WeakPolarHBondContact O-CA 3.48Å; I95-G381 PolarHBondContact O-N 3.35Å; I95-V382 HydrophobicContact CB-CG2 3.74Å; I95-V382 HydrophobicContact CD1-CG2 4.16Å; I95-V382 HydrophobicContact CG1-CG2 4.04Å; I95-M390 HydrophobicContact CD1-CE 4.14Å; I95-M390 HydrophobicContact CD1-CG 4.15Å; I95-M390 HydrophobicContact CD1-SD 4.35Å
96G91.4Very high94.7Very high16 Ų1620.8 Ų20.817%0.16513%0.126CC..  trans-98.2-167.3174.500000113.2K99 G121 R122G96-K99 WeakPolarHBondContact CA-O 3.45Å; G96-K99 PolarHBondContact N-O 3.04Å; G96-G121 WeakPolarHBondContact O-CA 3.38Å; G96-R122 PolarHBondContact O-N 2.84Å
97E90.4Very high94.7Very high66 Ų6623.5 Ų23.531%0.30813%0.126SC..SBendtrans-66.4-48.2178.2-176.263-166.300112G121 R122 S123 R160E97-G121 CarbonylContact O-C 3.38Å; E97-R122 PolarHBondContact O-N 3.19Å; E97-S123 WeakPolarHBondContact O-CB 3.44Å; E97-S123 PolarHBondContact O-N 3.29Å; E97-S123 PolarHBondContact O-OG 3.21Å; E97-R160 IonicContact OE1-CZ 3.61Å; E97-R160 IonicContact OE1-NH2 2.74Å; E97-R160 PolarHBondContact OE1-NH2 3.19Å; E97-R160 IonicContact OE2-NH2 3.34Å; E97-R160 PolarHBondContact OE2-NH2 3.11Å
98Q91.2Very high94.6Very high75 Ų7521.9 Ų21.935%0.3512%0.12SC..SBendtrans-114.6-13.3-174.1-65-179.5-23.300113.6Y3Y3-Q98 HydrophobicContact CD1-CB 4.03Å; Y3-Q98 WeakPolarHBondContact CD1-O 3.45Å; Y3-Q98 HydrophobicContact CE1-CB 4.28Å; Y3-Q98 WeakPolarHBondContact CE1-O 3.34Å
99K93.7Very high94.6Very high36 Ų3621.6 Ų21.616%0.15712%0.117CC..  trans-143.4155.6-173.560.2147.6176.8131.20111.7Y3 S48 G96 I117 L118 V120Y3-K99 HydrophobicContact CD1-CB 4.21Å; Y3-K99 VanDerWaalsContact O-CD 3.29Å; Y3-K99 WeakPolarHBondContact O-CD 3.46Å; S48-K99 PolarHBondContact OG-NZ 3.31Å; G96-K99 WeakPolarHBondContact CA-O 3.45Å; G96-K99 PolarHBondContact N-O 3.04Å; K99-I117 HydrophobicContact CB-CG2 3.84Å; K99-I117 HydrophobicContact CD-CD1 4.01Å; K99-I117 HydrophobicContact CD-CG1 4.3Å; K99-I117 HydrophobicContact CD-CG2 3.75Å; K99-I117 HydrophobicContact CG-CG2 4.45Å; K99-L118 WeakPolarHBondContact CA-O 3.47Å; K99-V120 CarbonylContact C-O 3.55Å; K99-V120 VanDerWaalsContact CA-O 3.26Å; K99-V120 WeakPolarHBondContact CA-O 3.4Å
100T95.2Very high94.5Very high0 Ų021.3 Ų21.30%012%0.115CC..EExtended strand (participates in β ladder)trans-121.7122172.1-62.70000108.4I93 N94 I95 I117 L118 V120 L321I93-T100 HydrophobicContact CG2-CG2 3.81Å; N94-T100 CarbonylContact O-C 3.53Å; N94-T100 VanDerWaalsContact O-CA 3.26Å; N94-T100 WeakPolarHBondContact O-CA 3.33Å; I95-T100 HydrophobicContact CG1-CG2 3.89Å; T100-I117 WeakPolarHBondContact O-CA 3.08Å; T100-L118 PolarHBondContact N-O 2.84Å; T100-L118 PolarHBondContact O-N 2.94Å; T100-V120 WeakPolarHBondContact CB-O 3.4Å; T100-V120 PolarHBondContact N-O 2.9Å; T100-V120 PolarHBondContact OG1-O 2.94Å; T100-L321 HydrophobicContact CG2-CD1 3.89Å
101S96Very high94.3Very high3 Ų323.3 Ų23.32%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-100.3141.5172.956.40000111.2I93 N94 I116I93-S101 CarbonylContact C-O 3.59Å; I93-S101 WeakPolarHBondContact CA-O 3.48Å; N94-S101 WeakPolarHBondContact CB-OG 3.34Å; N94-S101 PolarHBondContact N-O 3.34Å; N94-S101 PolarHBondContact O-N 2.78Å; S101-I116 CarbonylContact C-O 3.55Å; S101-I116 VanDerWaalsContact CA-O 3.23Å; S101-I116 WeakPolarHBondContact CA-O 3.28Å
102V97.6Very high94Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-123.2134.1171.5-174.70000108.3V92 I93 R115 I116 L321 V325V92-V102 CarbonylContact O-C 3.41Å; V92-V102 VanDerWaalsContact O-CA 3.31Å; V92-V102 WeakPolarHBondContact O-CA 3.35Å; I93-V102 HydrophobicContact CG1-CG1 4.39Å; I93-V102 HydrophobicContact CG1-CG2 4.31Å; I93-V102 HydrophobicContact CG2-CG2 4.42Å; V102-R115 WeakPolarHBondContact O-CA 3.49Å; V102-I116 HydrophobicContact CB-CD1 3.94Å; V102-I116 HydrophobicContact CB-CG1 3.63Å; V102-I116 HydrophobicContact CG2-CD1 4.23Å; V102-I116 HydrophobicContact CG2-CG1 4.2Å; V102-I116 PolarHBondContact N-O 2.94Å; V102-I116 PolarHBondContact O-N 3.28Å; V102-L321 HydrophobicContact CG2-CD1 3.94Å; V102-V325 HydrophobicContact CG1-CG2 4.13Å; V102-V325 HydrophobicContact CG2-CG2 4.08Å
103S97.2Very high93.6Very high0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-152.1137.7177.5-70.20000110.6D49 V92 R115D49-S103 VanDerWaalsContact CB-OG 3.32Å; D49-S103 WeakPolarHBondContact CB-OG 3.37Å; D49-S103 PolarHBondContact OD2-OG 3.16Å; V92-S103 PolarHBondContact N-O 3.37Å; V92-S103 PolarHBondContact O-N 3.49Å; S103-R115 WeakPolarHBondContact OG-CA 3.17Å; S103-R115 WeakPolarHBondContact OG-CG 3.32Å
104C97.5Very high93.5Very high0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-90.6126.1171.4-62.50000109.2A110 H111 T114 C332 L371C104-A110 WeakPolarHBondContact O-CA 3.29Å; C104-H111 PolarHBondContact O-N 2.94Å; C104-T114 HydrophobicContact CB-CG2 4.04Å; C104-T114 PolarHBondContact N-OG1 2.96Å; C104-C332 HydrophobicContact CB-CB 3.78Å; C104-C332 VanDerWaalsContact CB-SG 3.52Å; C104-L371 HydrophobicContact CB-CD1 4.24Å; C104-L371 HydrophobicContact CB-CD2 4.12Å
105V96.8Very high93.5Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-110.8136.8178.3178.70000108.7S78 V79 T82 T89 A90 V92 V109 A110S78-V105 WeakPolarHBondContact OG-CG2 3.37Å; V79-V105 HydrophobicContact CB-CG1 4.46Å; V79-V105 HydrophobicContact CG1-CG1 4.36Å; V79-V105 HydrophobicContact CG2-CG1 4.1Å; V79-V105 HydrophobicContact CG2-CG2 4.18Å; T82-V105 HydrophobicContact CG2-CB 3.64Å; T82-V105 HydrophobicContact CG2-CG1 3.67Å; T82-V105 HydrophobicContact CG2-CG2 3.99Å; T89-V105 VanDerWaalsContact CA-O 3.27Å; T89-V105 WeakPolarHBondContact CA-O 3.33Å; A90-V105 PolarHBondContact N-O 3.01Å; A90-V105 PolarHBondContact O-N 3.5Å; V92-V105 HydrophobicContact CG2-CG2 4.1Å; V105-V109 WeakPolarHBondContact CA-O 3.37Å; V105-A110 HydrophobicContact CG2-CB 4.09Å
106E94.3Very high93.6Very high35 Ų3525.7 Ų25.716%0.16414%0.137CC..EExtended strand (participates in β ladder)trans-141.6126.6174.1-171.7174.7-158.400108.6P88 T89 G108 V109 H111P88-E106 CarbonylContact O-C 3.54Å; P88-E106 WeakPolarHBondContact O-CA 3.17Å; T89-E106 HydrophobicContact CG2-CB 4.47Å; T89-E106 HydrophobicContact CG2-CG 4.37Å; E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 3.11Å; E106-G108 VanDerWaalsContact O-N 3.14Å; E106-V109 PolarHBondContact N-O 3.39Å; E106-V109 PolarHBondContact O-N 3.32Å; E106-H111 WeakPolarHBondContact CB-NE2 3.49Å; E106-H111 IonicContact OE2-CE1 2.8Å; E106-H111 IonicContact OE2-NE2 3.23Å; E106-H111 PolarHBondContact OE2-NE2 3.33Å
107D91.1Very high93.8Very high119 Ų11925 Ų2564%0.63613%0.13SC*.THydrogen-bonded Turntrans48.743.9175.2-61.4-31.6000114.1P88P88-D107 PolarHBondContact O-N 2.86Å
108G90.6Very high94Very high11 Ų1121.9 Ų21.911%0.11312%0.115CC..THydrogen-bonded Turntrans83.68.2177.200000114.9V79 Y83 E106V79-G108 VanDerWaalsContact CG1-O 3.27Å; V79-G108 WeakPolarHBondContact CG1-O 3.44Å; Y83-G108 WeakPolarHBondContact OH-CA 3.32Å; E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 3.11Å; E106-G108 VanDerWaalsContact O-N 3.14Å
109V92.5Very high94.2Very high61 Ų6118.6 Ų18.637%0.3710%0.1SC..EExtended strand (participates in β ladder)trans-124.4123.8-179.6-176.20000110.4V105 E106V105-V109 WeakPolarHBondContact CA-O 3.37Å; E106-V109 PolarHBondContact N-O 3.39Å; E106-V109 PolarHBondContact O-N 3.32Å
110A94.9Very high94.2Very high0 Ų016.9 Ų16.90%09%0.093CC..EExtended strand (participates in β ladder)trans-79.1123.5168.400000109.7S78 V79 C104 V105 T112 R115S78-A110 WeakPolarHBondContact OG-CB 3.45Å; V79-A110 HydrophobicContact CG2-CB 3.96Å; C104-A110 WeakPolarHBondContact O-CA 3.29Å; V105-A110 HydrophobicContact CG2-CB 4.09Å; A110-T112 PolarHBondContact O-N 2.83Å; A110-R115 PolarHBondContact O-NE 2.91Å; A110-R115 PolarHBondContact O-NH2 2.92Å
111H92.4Very high94.1Very high41 Ų4116.9 Ų16.919%0.199%0.093CC..  trans-71.9114.7-177.4-75.5-81.6000111.7C104 E106 E113 T114 R115 C332C104-H111 PolarHBondContact O-N 2.94Å; E106-H111 WeakPolarHBondContact CB-NE2 3.49Å; E106-H111 IonicContact OE2-CE1 2.8Å; E106-H111 IonicContact OE2-NE2 3.23Å; E106-H111 PolarHBondContact OE2-NE2 3.33Å; H111-E113 VanDerWaalsContact C-N 3.26Å; H111-E113 PolarHBondContact O-N 2.93Å; H111-E113 VanDerWaalsContact O-N 3.12Å; H111-T114 HydrophobicContact CB-CG2 3.68Å; H111-T114 WeakPolarHBondContact O-CB 3.36Å; H111-T114 PolarHBondContact O-N 3.47Å; H111-T114 PolarHBondContact O-OG1 3.01Å; H111-R115 WeakPolarHBondContact O-CG 3.39Å; H111-C332 PolarHBondContact CD2-SG 2.92Å
112T90.4Very high93.9Very high37 Ų3718.2 Ų18.223%0.22710%0.097CC..G310 helixtrans-49.5-41-173.2-56.20000114.2A110 T114 R115 Q249A110-T112 PolarHBondContact O-N 2.83Å; T112-T114 PolarHBondContact O-N 3.39Å; T112-R115 PolarHBondContact O-N 3.47Å; T112-R115 PolarHBondContact OG1-NH2 2.96Å; T112-Q249 HydrophobicContact CG2-CB 4.09Å; T112-Q249 HydrophobicContact CG2-CG 3.91Å
113E89.2Confident93.6Very high38 Ų3819.1 Ų19.118%0.17810%0.104CC..G310 helixtrans-73-13.7-177.7-63-50123.300114.4H111 K314 W327 L335H111-E113 VanDerWaalsContact C-N 3.26Å; H111-E113 PolarHBondContact O-N 2.93Å; H111-E113 VanDerWaalsContact O-N 3.12Å; E113-K314 IonicContact OE1-NZ 2.85Å; E113-K314 WeakPolarHBondContact OE2-CE 3.48Å; E113-K314 IonicContact OE2-NZ 3.63Å; E113-K314 PolarHBondContact OE2-NZ 3.34Å; E113-W327 WeakPolarHBondContact O-CH2 3.48Å; E113-L335 HydrophobicContact CB-CD1 3.33Å; E113-L335 HydrophobicContact CG-CD1 3.65Å
114T93.3Very high93.4Very high0 Ų019.3 Ų19.30%011%0.105CC..G310 helixtrans-96.8-11.7-178.574.70000112.4C104 H111 T112 I116 S328 C332C104-T114 HydrophobicContact CB-CG2 4.04Å; C104-T114 PolarHBondContact N-OG1 2.96Å; H111-T114 HydrophobicContact CB-CG2 3.68Å; H111-T114 WeakPolarHBondContact O-CB 3.36Å; H111-T114 PolarHBondContact O-N 3.47Å; H111-T114 PolarHBondContact O-OG1 3.01Å; T112-T114 PolarHBondContact O-N 3.39Å; T114-I116 PolarHBondContact O-N 3.23Å; T114-S328 WeakPolarHBondContact O-CB 3.22Å; T114-S328 PolarHBondContact O-OG 3.18Å; T114-C332 HydrophobicContact CG2-CB 3.61Å
115R94.9Very high93.2Very high1 Ų119.3 Ų19.30%0.00411%0.105CC..  trans-79.3113.7-172.2-49.2-179-169.4160.95.1110.2D49 V50 V102 S103 A110 H111 T112D49-R115 HydrophobicContact CB-CB 4.46Å; D49-R115 HydrophobicContact CB-CG 4.28Å; D49-R115 WeakPolarHBondContact O-CD 3.26Å; D49-R115 PolarHBondContact O-NH1 3.03Å; V50-R115 HydrophobicContact CG2-CB 3.72Å; V102-R115 WeakPolarHBondContact O-CA 3.49Å; S103-R115 WeakPolarHBondContact OG-CA 3.17Å; S103-R115 WeakPolarHBondContact OG-CG 3.32Å; A110-R115 PolarHBondContact O-NE 2.91Å; A110-R115 PolarHBondContact O-NH2 2.92Å; H111-R115 WeakPolarHBondContact O-CG 3.39Å; T112-R115 PolarHBondContact O-N 3.47Å; T112-R115 PolarHBondContact OG1-NH2 2.96Å
116I94.6Very high93Very high0 Ų019.5 Ų19.50%011%0.106CC..EExtended strand (participates in β ladder)trans-129.3146.9179.464.3176.9000110.4S101 V102 T114 L118 Y248 F318 A324 W327S101-I116 CarbonylContact C-O 3.55Å; S101-I116 VanDerWaalsContact CA-O 3.23Å; S101-I116 WeakPolarHBondContact CA-O 3.28Å; V102-I116 HydrophobicContact CB-CD1 3.94Å; V102-I116 HydrophobicContact CB-CG1 3.63Å; V102-I116 HydrophobicContact CG2-CD1 4.23Å; V102-I116 HydrophobicContact CG2-CG1 4.2Å; V102-I116 PolarHBondContact N-O 2.94Å; V102-I116 PolarHBondContact O-N 3.28Å; T114-I116 PolarHBondContact O-N 3.23Å; I116-L118 HydrophobicContact CD1-CD2 4.33Å; I116-Y248 HydrophobicContact CB-CE1 4.36Å; I116-Y248 HydrophobicContact CG2-CD1 3.67Å; I116-Y248 HydrophobicContact CG2-CE1 3.29Å; I116-F318 HydrophobicContact CD1-CD2 4.36Å; I116-F318 HydrophobicContact CD1-CE2 3.88Å; I116-F318 HydrophobicContact CD1-CZ 4.43Å; I116-A324 HydrophobicContact CD1-CB 3.62Å; I116-W327 HydrophobicContact CG2-CE3 4.17Å; I116-W327 HydrophobicContact CG2-CH2 4.49Å; I116-W327 HydrophobicContact CG2-CZ3 3.63Å
117I95.9Very high92.9Very high2 Ų222.5 Ų22.51%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-115.4121.1165.4-68.7176.7000107.9F5 V50 K99 T100 C246 T247F5-I117 HydrophobicContact CE2-CD1 3.76Å; F5-I117 HydrophobicContact CZ-CD1 3.65Å; V50-I117 HydrophobicContact CB-CD1 3.61Å; V50-I117 HydrophobicContact CB-CG1 3.91Å; V50-I117 HydrophobicContact CG1-CD1 3.93Å; V50-I117 HydrophobicContact CG1-CG1 4.45Å; V50-I117 HydrophobicContact CG2-CD1 4.34Å; V50-I117 HydrophobicContact CG2-CG1 4.08Å; K99-I117 HydrophobicContact CB-CG2 3.84Å; K99-I117 HydrophobicContact CD-CD1 4.01Å; K99-I117 HydrophobicContact CD-CG1 4.3Å; K99-I117 HydrophobicContact CD-CG2 3.75Å; K99-I117 HydrophobicContact CG-CG2 4.45Å; T100-I117 WeakPolarHBondContact O-CA 3.08Å; I117-C246 WeakPolarHBondContact O-CA 3.06Å; I117-T247 PolarHBondContact N-O 3.03Å; I117-T247 PolarHBondContact O-N 3.45Å
118L95.4Very high93Very high1 Ų117.6 Ų17.61%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-89.4136.5167.3-52.9177.5000109.3K99 T100 I116 V120 I235 C246 F318 L321 A324K99-L118 WeakPolarHBondContact CA-O 3.47Å; T100-L118 PolarHBondContact N-O 2.84Å; T100-L118 PolarHBondContact O-N 2.94Å; I116-L118 HydrophobicContact CD1-CD2 4.33Å; L118-V120 HydrophobicContact CB-CG1 3.95Å; L118-V120 PolarHBondContact O-N 3.42Å; L118-I235 HydrophobicContact CD1-CD1 3.98Å; L118-C246 VanDerWaalsContact CD2-SG 3.54Å; L118-F318 HydrophobicContact CD2-CB 4.3Å; L118-F318 HydrophobicContact CD2-CD2 3.65Å; L118-F318 HydrophobicContact CD2-CE2 4.48Å; L118-F318 HydrophobicContact CD2-CG 4.38Å; L118-L321 HydrophobicContact CD1-CB 4.41Å; L118-L321 HydrophobicContact CD1-CD1 3.65Å; L118-A324 HydrophobicContact CD1-CB 3.8Å; L118-A324 HydrophobicContact CD2-CB 3.95Å; L118-A324 HydrophobicContact CG-CB 4.38Å
119P94.4Very high93.2Very high5 Ų517 Ų173%0.0329%0.085CC..SBendtrans-8143.4-178.936.5-38.2000111.9Y3 V239 E243Y3-P119 HydrophobicContact CD1-CB 4.32Å; Y3-P119 HydrophobicContact CE1-CB 3.89Å; Y3-P119 HydrophobicContact CE2-CB 4.44Å; P119-V239 HydrophobicContact CB-CG1 4.41Å; P119-V239 HydrophobicContact CG-CG1 4.36Å; P119-V239 WeakPolarHBondContact O-CG2 3.1Å; P119-E243 WeakPolarHBondContact CB-O 3.44Å; P119-E243 WeakPolarHBondContact CG-O 3.4Å
120V94.3Very high93.2Very high0 Ų015.6 Ų15.60%07%0.074CC..  trans-135.6138.5-179.764.90000110.3K99 T100 L118 D124 P231 F232 I235 V239K99-V120 CarbonylContact C-O 3.55Å; K99-V120 VanDerWaalsContact CA-O 3.26Å; K99-V120 WeakPolarHBondContact CA-O 3.4Å; T100-V120 WeakPolarHBondContact CB-O 3.4Å; T100-V120 PolarHBondContact N-O 2.9Å; T100-V120 PolarHBondContact OG1-O 2.94Å; L118-V120 HydrophobicContact CB-CG1 3.95Å; L118-V120 PolarHBondContact O-N 3.42Å; V120-D124 WeakPolarHBondContact CA-OD2 3.29Å; V120-D124 HydrophobicContact CG2-CB 3.98Å; V120-P231 HydrophobicContact CG2-CB 3.68Å; V120-F232 HydrophobicContact CG1-CD1 3.98Å; V120-F232 HydrophobicContact CG1-CE1 4.06Å; V120-F232 HydrophobicContact CG2-CD1 4.32Å; V120-F232 HydrophobicContact CG2-CE1 4.2Å; V120-I235 HydrophobicContact CB-CG2 4.42Å; V120-I235 HydrophobicContact CG1-CD1 4.1Å; V120-I235 HydrophobicContact CG1-CG1 4.16Å; V120-V239 HydrophobicContact CB-CG2 4.14Å; V120-V239 HydrophobicContact CG2-CG2 4.36Å
121G92.7Very high93.1Very high0 Ų019.5 Ų19.50%010%0.101CC..  trans-155.4-160.517600000113.3G96 E97 S123 D124 V125G96-G121 WeakPolarHBondContact O-CA 3.38Å; E97-G121 CarbonylContact O-C 3.38Å; G121-S123 PolarHBondContact O-N 3.28Å; G121-D124 PolarHBondContact N-OD2 2.88Å; G121-D124 PolarHBondContact O-N 3.04Å; G121-D124 VanDerWaalsContact O-N 3.12Å; G121-V125 PolarHBondContact O-N 3.13Å
122R91.3Very high93.1Very high31 Ų3121.2 Ų21.212%0.11711%0.111CC..Hα-helixtrans-58.4-30.6178.6-176.7-177.7170.4-178.62.7113.1G96 E97 D124 V125 L126 E164G96-R122 PolarHBondContact O-N 2.84Å; E97-R122 PolarHBondContact O-N 3.19Å; R122-D124 PolarHBondContact O-N 3.29Å; R122-V125 WeakPolarHBondContact O-CB 3.22Å; R122-V125 PolarHBondContact O-N 3.17Å; R122-L126 WeakPolarHBondContact O-CB 3.32Å; R122-L126 PolarHBondContact O-N 2.95Å; R122-E164 IonicContact NH2-OE1 2.65Å; R122-E164 PolarHBondContact NH2-OE1 3.31Å
123S91.6Very high93.2Very high19 Ų1919.9 Ų19.913%0.13310%0.103CC..Hα-helixtrans-63.4-32178.261.60000112.5E97 G121 R127E97-S123 WeakPolarHBondContact O-CB 3.44Å; E97-S123 PolarHBondContact O-N 3.29Å; E97-S123 PolarHBondContact O-OG 3.21Å; G121-S123 PolarHBondContact O-N 3.28Å; S123-R127 VanDerWaalsContact O-CG 3.26Å; S123-R127 WeakPolarHBondContact O-CG 3.1Å; S123-R127 PolarHBondContact O-N 2.66Å
124D93.3Very high93.3Very high5 Ų518.3 Ų18.33%0.02710%0.096CC..Hα-helixtrans-77.9-36.9179-52.8-73000110.8V120 G121 R122 L126 R127 V128 P231V120-D124 WeakPolarHBondContact CA-OD2 3.29Å; V120-D124 HydrophobicContact CG2-CB 3.98Å; G121-D124 PolarHBondContact N-OD2 2.88Å; G121-D124 PolarHBondContact O-N 3.04Å; G121-D124 VanDerWaalsContact O-N 3.12Å; R122-D124 PolarHBondContact O-N 3.29Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.19Å; D124-R127 PolarHBondContact O-N 3.2Å; D124-V128 WeakPolarHBondContact O-CG2 3.38Å; D124-V128 PolarHBondContact O-N 2.92Å; D124-P231 HydrophobicContact CB-CB 3.95Å; D124-P231 HydrophobicContact CB-CG 4.33Å
125V92.8Very high92.9Very high0 Ų021.8 Ų21.80%012%0.118CC..Hα-helixtrans-55.6-48.4167.6174.80000110.5G121 R122 R127 V128 F129 M163 P231 F232 V385G121-V125 PolarHBondContact O-N 3.13Å; R122-V125 WeakPolarHBondContact O-CB 3.22Å; R122-V125 PolarHBondContact O-N 3.17Å; V125-R127 VanDerWaalsContact C-N 3.32Å; V125-R127 PolarHBondContact O-N 2.95Å; V125-V128 PolarHBondContact O-N 3.4Å; V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.5Å; V125-F129 PolarHBondContact O-N 2.89Å; V125-M163 HydrophobicContact CG1-CE 4.32Å; V125-M163 HydrophobicContact CG1-SD 3.82Å; V125-P231 HydrophobicContact CB-CG 4.47Å; V125-P231 HydrophobicContact CG2-CG 3.97Å; V125-F232 HydrophobicContact CG2-CD2 4.41Å; V125-F232 HydrophobicContact CG2-CE2 3.52Å; V125-F232 HydrophobicContact CG2-CZ 4.22Å; V125-V385 HydrophobicContact CG1-CG2 4.44Å; V125-V385 HydrophobicContact CG2-CG2 4.29Å
126L92.8Very high92.2Very high3 Ų330 Ų302%0.01616%0.162CC..Hα-helixtrans-62.5-38.7179.4-166.168.5000112R122 D124 H130 V156 L159 R160 M163R122-L126 WeakPolarHBondContact O-CB 3.32Å; R122-L126 PolarHBondContact O-N 2.95Å; D124-L126 VanDerWaalsContact C-N 3.31Å; D124-L126 PolarHBondContact O-N 3.19Å; L126-H130 WeakPolarHBondContact O-CB 3.41Å; L126-H130 PolarHBondContact O-N 3.28Å; L126-V156 HydrophobicContact CD2-CG1 3.76Å; L126-L159 HydrophobicContact CD1-CB 4.26Å; L126-L159 HydrophobicContact CD1-CD2 3.89Å; L126-L159 HydrophobicContact CD1-CG 3.64Å; L126-L159 HydrophobicContact CD2-CD2 4.02Å; L126-L159 HydrophobicContact CD2-CG 4.46Å; L126-L159 HydrophobicContact CG-CD2 3.58Å; L126-L159 HydrophobicContact CG-CG 3.94Å; L126-R160 HydrophobicContact CD1-CG 3.83Å; L126-R160 HydrophobicContact CD2-CG 3.98Å; L126-M163 HydrophobicContact CD1-CB 4.41Å; L126-M163 HydrophobicContact CD1-CE 4.14Å; L126-M163 HydrophobicContact CD1-SD 3.88Å
127R92.8Very high91.5Very high98 Ų9832.8 Ų32.837%0.3719%0.191SC..Hα-helixtrans-69.4-42.1177.4-75.8170.8-176.7-159.22.8113.3S123 D124 V125 H130 S131 Y150S123-R127 VanDerWaalsContact O-CG 3.26Å; S123-R127 WeakPolarHBondContact O-CG 3.1Å; S123-R127 PolarHBondContact O-N 2.66Å; D124-R127 PolarHBondContact O-N 3.2Å; V125-R127 VanDerWaalsContact C-N 3.32Å; V125-R127 PolarHBondContact O-N 2.95Å; R127-H130 PolarHBondContact O-N 3Å; R127-S131 WeakPolarHBondContact O-CB 3.26Å; R127-S131 PolarHBondContact O-N 2.89Å; R127-S131 PolarHBondContact O-OG 3.26Å; R127-Y150 WeakPolarHBondContact CA-OH 3.38Å; R127-Y150 HydrophobicContact CG-CE1 3.88Å; R127-Y150 HydrophobicContact CG-CE2 4.31Å; R127-Y150 WeakPolarHBondContact CG-OH 3.4Å
128V93.6Very high91.2Very high16 Ų1634.9 Ų34.910%0.09720%0.2CC..Hα-helixtrans-65.3-45.2174.5173.10000109.7D124 V125 H130 S131 L132 L230 P231 C238D124-V128 WeakPolarHBondContact O-CG2 3.38Å; D124-V128 PolarHBondContact O-N 2.92Å; V125-V128 PolarHBondContact O-N 3.4Å; V128-H130 PolarHBondContact O-N 2.89Å; V128-S131 PolarHBondContact O-N 3.47Å; V128-L132 HydrophobicContact CG1-CD1 3.7Å; V128-L132 HydrophobicContact CG1-CG 4.22Å; V128-L132 WeakPolarHBondContact O-CB 3.42Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.23Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-L230 HydrophobicContact CG1-CB 4.39Å; V128-L230 HydrophobicContact CG1-CD2 3.94Å; V128-P231 HydrophobicContact CB-CG 4.34Å; V128-P231 HydrophobicContact CG2-CG 3.89Å; V128-C238 HydrophobicContact CG2-CB 4.37Å
129F93.6Very high90.9Very high0 Ų037.9 Ų37.90%022%0.221CC..Hα-helixtrans-55.9-50.5174.5178.5-96.7000111.5V125 S131 L132 V133 L159 L162 M163 S166V125-F129 VanDerWaalsContact O-CB 3.28Å; V125-F129 WeakPolarHBondContact O-CB 3.5Å; V125-F129 PolarHBondContact O-N 2.89Å; F129-S131 VanDerWaalsContact C-N 3.34Å; F129-S131 PolarHBondContact O-N 2.99Å; F129-L132 PolarHBondContact O-N 2.94Å; F129-V133 HydrophobicContact CD2-CG2 3.78Å; F129-V133 HydrophobicContact CE1-CB 4.31Å; F129-V133 HydrophobicContact CE1-CG1 4.49Å; F129-V133 HydrophobicContact CE1-CG2 4.28Å; F129-V133 HydrophobicContact CE2-CB 4.37Å; F129-V133 HydrophobicContact CE2-CG2 3.5Å; F129-V133 VanDerWaalsContact CE2-CG2 3.5Å; F129-V133 HydrophobicContact CG-CG2 4.3Å; F129-V133 HydrophobicContact CZ-CB 4.15Å; F129-V133 HydrophobicContact CZ-CG1 4.14Å; F129-V133 HydrophobicContact CZ-CG2 3.76Å; F129-V133 WeakPolarHBondContact O-CB 3.33Å; F129-V133 WeakPolarHBondContact O-CG2 3.41Å; F129-V133 PolarHBondContact O-N 2.94Å; F129-L159 HydrophobicContact CD1-CD1 4.01Å; F129-L159 HydrophobicContact CE1-CD1 4.12Å; F129-L162 HydrophobicContact CE1-CB 4.42Å; F129-L162 HydrophobicContact CE1-CD2 4.03Å; F129-L162 HydrophobicContact CE1-CG 3.83Å; F129-L162 HydrophobicContact CZ-CD2 4.44Å; F129-L162 HydrophobicContact CZ-CG 3.96Å; F129-M163 HydrophobicContact CB-CG 4.37Å; F129-M163 HydrophobicContact CB-SD 4.01Å; F129-M163 HydrophobicContact CD1-CB 3.86Å; F129-M163 HydrophobicContact CD1-CG 4.04Å; F129-M163 HydrophobicContact CD1-SD 4.45Å; F129-M163 HydrophobicContact CD2-CB 4.4Å; F129-M163 HydrophobicContact CD2-CG 3.87Å; F129-M163 HydrophobicContact CE1-CB 3.81Å; F129-M163 HydrophobicContact CE1-CG 4.31Å; F129-M163 HydrophobicContact CE2-CB 4.34Å; F129-M163 HydrophobicContact CE2-CG 4.13Å; F129-M163 HydrophobicContact CG-CB 4.17Å; F129-M163 HydrophobicContact CG-CG 3.81Å; F129-M163 HydrophobicContact CG-SD 4.1Å; F129-M163 HydrophobicContact CZ-CB 4.06Å; F129-M163 HydrophobicContact CZ-CG 4.36Å; F129-S166 VanDerWaalsContact CE2-OG 3.23Å; F129-S166 WeakPolarHBondContact CE2-OG 3.5Å
130H93.7Very high90.7Very high31 Ų3138.3 Ų38.314%0.14422%0.223CC..Hα-helixtrans-54.3-50.1176-179.3-156000111.8L126 R127 V128 L132 V133 L134 L148 Y150 L159L126-H130 WeakPolarHBondContact O-CB 3.41Å; L126-H130 PolarHBondContact O-N 3.28Å; R127-H130 PolarHBondContact O-N 3Å; V128-H130 PolarHBondContact O-N 2.89Å; H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 2.95Å; H130-V133 PolarHBondContact O-N 3.47Å; H130-L134 CarbonylContact O-C 3.48Å; H130-L134 WeakPolarHBondContact O-CA 3.33Å; H130-L134 PolarHBondContact O-N 3.16Å; H130-L148 WeakPolarHBondContact NE2-CD1 3.29Å; H130-Y150 WeakPolarHBondContact CB-OH 3.4Å; H130-Y150 AromaticContact ND1-CE2 3.97Å; H130-Y150 AromaticContact ND1-CZ 3.6Å; H130-Y150 PolarHBondContact ND1-OH 3.19Å; H130-L159 HydrophobicContact CB-CD1 4.2Å; H130-L159 HydrophobicContact CB-CD2 3.77Å
131S92.2Very high90.4Very high82 Ų8245.5 Ų45.557%0.57326%0.261SS*.Hα-helixtrans-64.4-31.5-177.5-54.90000113.3R127 V128 F129R127-S131 WeakPolarHBondContact O-CB 3.26Å; R127-S131 PolarHBondContact O-N 2.89Å; R127-S131 PolarHBondContact O-OG 3.26Å; V128-S131 PolarHBondContact O-N 3.47Å; F129-S131 VanDerWaalsContact C-N 3.34Å; F129-S131 PolarHBondContact O-N 2.99Å
132L92.3Very high90.2Very high76 Ų7653 Ų5340%0.39830%0.296SS..Hα-helixtrans-84.8-35.3179.7-67.6176.3000113.1V128 F129 H130 T223V128-L132 HydrophobicContact CG1-CD1 3.7Å; V128-L132 HydrophobicContact CG1-CG 4.22Å; V128-L132 WeakPolarHBondContact O-CB 3.42Å; V128-L132 VanDerWaalsContact O-CG 3.28Å; V128-L132 WeakPolarHBondContact O-CG 3.23Å; V128-L132 PolarHBondContact O-N 3.42Å; F129-L132 PolarHBondContact O-N 2.94Å; H130-L132 VanDerWaalsContact C-N 3.28Å; H130-L132 PolarHBondContact O-N 2.95Å; L132-T223 HydrophobicContact CB-CG2 3.73Å; L132-T223 HydrophobicContact CD1-CG2 4.16Å; L132-T223 HydrophobicContact CG-CG2 4.48Å
133V92.2Very high90.1Very high10 Ų1053.9 Ų53.96%0.06132%0.316CS..Hα-helixtrans-97-36-172.1179.90000112.9F129 H130 P135 I216 L219 T223F129-V133 HydrophobicContact CD2-CG2 3.78Å; F129-V133 HydrophobicContact CE1-CB 4.31Å; F129-V133 HydrophobicContact CE1-CG1 4.49Å; F129-V133 HydrophobicContact CE1-CG2 4.28Å; F129-V133 HydrophobicContact CE2-CB 4.37Å; F129-V133 HydrophobicContact CE2-CG2 3.5Å; F129-V133 VanDerWaalsContact CE2-CG2 3.5Å; F129-V133 HydrophobicContact CG-CG2 4.3Å; F129-V133 HydrophobicContact CZ-CB 4.15Å; F129-V133 HydrophobicContact CZ-CG1 4.14Å; F129-V133 HydrophobicContact CZ-CG2 3.76Å; F129-V133 WeakPolarHBondContact O-CB 3.33Å; F129-V133 WeakPolarHBondContact O-CG2 3.41Å; F129-V133 PolarHBondContact O-N 2.94Å; H130-V133 PolarHBondContact O-N 3.47Å; V133-P135 WeakPolarHBondContact O-CD 3.36Å; V133-I216 HydrophobicContact CG1-CD1 4.09Å; V133-I216 HydrophobicContact CG1-CG2 3.94Å; V133-L219 HydrophobicContact CG1-CD1 4.43Å; V133-L219 HydrophobicContact CG2-CD1 3.74Å; V133-L219 HydrophobicContact CG2-CD2 4.49Å; V133-T223 HydrophobicContact CG2-CG2 4.41Å
134L91.3Very high90Very high5 Ų555 Ų553%0.02632%0.322CS..SBendtrans-123.674.2179-47.5170000109.1H130 F138 V146 L148 L159 L162 W207 I216H130-L134 CarbonylContact O-C 3.48Å; H130-L134 WeakPolarHBondContact O-CA 3.33Å; H130-L134 PolarHBondContact O-N 3.16Å; L134-F138 HydrophobicContact CB-CB 4.46Å; L134-F138 HydrophobicContact CB-CG 4.49Å; L134-F138 HydrophobicContact CD2-CD1 3.65Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE1 3.6Å; L134-F138 HydrophobicContact CD2-CE2 4.43Å; L134-F138 HydrophobicContact CD2-CG 4.09Å; L134-F138 HydrophobicContact CD2-CZ 4.02Å; L134-V146 HydrophobicContact CD1-CG1 4.34Å; L134-L148 HydrophobicContact CD1-CD1 4.05Å; L134-L159 HydrophobicContact CD1-CD1 4.19Å; L134-L162 HydrophobicContact CD1-CD2 4Å; L134-L162 HydrophobicContact CD2-CD2 4.42Å; L134-L162 HydrophobicContact CG-CD2 4.4Å; L134-W207 HydrophobicContact CD1-CE3 4.21Å; L134-W207 HydrophobicContact CD1-CH2 3.87Å; L134-W207 HydrophobicContact CD1-CZ3 3.65Å; L134-I216 HydrophobicContact CD2-CD1 3.91Å; L134-I216 HydrophobicContact CD2-CG1 4.08Å
135P84.3Confident89.8Confident72 Ų7259 Ų5947%0.46835%0.347SS..  trans-62.8160.2178.728.1-35.4000111.3V133 G137 F138V133-P135 WeakPolarHBondContact O-CD 3.36Å; P135-G137 PolarHBondContact O-N 3.23Å; P135-F138 VanDerWaalsContact O-CB 3.29Å; P135-F138 WeakPolarHBondContact O-CB 3.35Å; P135-F138 PolarHBondContact O-N 3Å
136N81.3Confident89.7Confident173 Ų17360.2 Ų60.293%0.92536%0.355SS*.THydrogen-bonded Turntrans-50.2127.8179.1-70.3-19.3000111.8
137G80.8Confident89.5Confident60 Ų6064.5 Ų64.562%0.61938%0.378SS*.THydrogen-bonded Turntrans89.43.6-178.600000115P135 C139P135-G137 PolarHBondContact O-N 3.23Å; G137-C139 PolarHBondContact O-N 2.87Å
138F87.8Confident89.4Confident45 Ų4560.9 Ų60.920%0.19737%0.366CS..  trans-57.2125.7172.3-172-91.6000110.7L134 P135 T145 V146 Y214 I216L134-F138 HydrophobicContact CB-CB 4.46Å; L134-F138 HydrophobicContact CB-CG 4.49Å; L134-F138 HydrophobicContact CD2-CD1 3.65Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE1 3.6Å; L134-F138 HydrophobicContact CD2-CE2 4.43Å; L134-F138 HydrophobicContact CD2-CG 4.09Å; L134-F138 HydrophobicContact CD2-CZ 4.02Å; P135-F138 VanDerWaalsContact O-CB 3.29Å; P135-F138 WeakPolarHBondContact O-CB 3.35Å; P135-F138 PolarHBondContact O-N 3Å; F138-T145 WeakPolarHBondContact O-CA 3.42Å; F138-V146 HydrophobicContact CD1-CG2 3.69Å; F138-V146 HydrophobicContact CE1-CG2 4.4Å; F138-V146 PolarHBondContact O-N 2.98Å; F138-Y214 HydrophobicContact CD1-CD1 4.13Å; F138-Y214 AromaticContact CE1-CD1 3.81Å; F138-Y214 HydrophobicContact CE1-CD1 3.81Å; F138-Y214 HydrophobicContact CE1-CG 4.29Å; F138-I216 HydrophobicContact CE1-CG1 4.33Å; F138-I216 HydrophobicContact CZ-CG1 3.77Å
139C90.1Very high89.3Confident64 Ų6464.2 Ų64.243%0.43238%0.379SS..BIsolated β-bridgetrans-138.6157.2-178.4570000111.5G137 C144 T145G137-C139 PolarHBondContact O-N 2.87Å; C139-C144 CarbonylContact C-O 3.56Å; C139-C144 WeakPolarHBondContact CA-O 3.42Å; C139-C144 WeakPolarHBondContact CB-O 3.46Å; C139-T145 HydrophobicContact CB-CG2 4.08Å
140N89.4Confident89.2Confident14 Ų1468.3 Ų68.38%0.07540%0.395CS..  trans-81.1179.2173.869.9-0.3000112.1E142 G143 C144 Q213 Y214N140-E142 PolarHBondContact O-N 3.45Å; N140-E142 VanDerWaalsContact O-N 3.09Å; N140-E142 PolarHBondContact OD1-N 3.23Å; N140-E142 VanDerWaalsContact OD1-N 3.12Å; N140-G143 PolarHBondContact O-N 3.38Å; N140-G143 PolarHBondContact OD1-N 3.33Å; N140-C144 PolarHBondContact N-O 3.49Å; N140-C144 WeakPolarHBondContact OD1-CB 3.29Å; N140-C144 PolarHBondContact OD1-N 2.97Å; N140-Q213 WeakPolarHBondContact CB-O 3.35Å; N140-Q213 PolarHBondContact ND2-O 3.39Å; N140-Q213 VanDerWaalsContact ND2-O 3.11Å; N140-Y214 HydrophobicContact CB-CD1 3.69Å; N140-Y214 HydrophobicContact CB-CE1 3.95Å; N140-Y214 HydrophobicContact CB-CG 4.25Å
141N88.1Confident89Confident152 Ų15274.2 Ų74.281%0.81342%0.423SS*.THydrogen-bonded Turntrans-60.1-19.6178.3-64.7-31.8000113.9
142E88.5Confident89Confident156 Ų15674 Ų7473%0.72941%0.412SS*.THydrogen-bonded Turntrans-89.5-2.1177.3-58.4-177.4157.300112.8N140N140-E142 PolarHBondContact O-N 3.45Å; N140-E142 VanDerWaalsContact O-N 3.09Å; N140-E142 PolarHBondContact OD1-N 3.23Å; N140-E142 VanDerWaalsContact OD1-N 3.12Å
143G89.4Confident89Confident51 Ų5176.6 Ų76.653%0.52643%0.426SS..  trans828.6-178.800000114.5N140 T145N140-G143 PolarHBondContact O-N 3.38Å; N140-G143 PolarHBondContact OD1-N 3.33Å; G143-T145 PolarHBondContact O-N 2.78Å
144C89.1Confident89Confident41 Ų4179.4 Ų79.428%0.27745%0.446SS..PPolyproline II helixtrans-73.5120.4173.9-61.40000109.9C139 N140 Y214C139-C144 CarbonylContact C-O 3.56Å; C139-C144 WeakPolarHBondContact CA-O 3.42Å; C139-C144 WeakPolarHBondContact CB-O 3.46Å; N140-C144 PolarHBondContact N-O 3.49Å; N140-C144 WeakPolarHBondContact OD1-CB 3.29Å; N140-C144 PolarHBondContact OD1-N 2.97Å; C144-Y214 WeakPolarHBondContact O-CE1 3.37Å
145T90.6Very high89.1Confident89 Ų8979.3 Ų79.355%0.54645%0.445SS..BIsolated β-bridgetrans-82.6145177.354.90000111.7F138 C139 G143 D147F138-T145 WeakPolarHBondContact O-CA 3.42Å; C139-T145 HydrophobicContact CB-CG2 4.08Å; G143-T145 PolarHBondContact O-N 2.78Å; T145-D147 PolarHBondContact O-N 3.23Å
146V89.3Confident89.5Confident26 Ų2676.6 Ų76.616%0.15843%0.427CS..PPolyproline II helixtrans-71.1120.3171.2179.20000109.9L134 F138 L148 W207 Y214L134-V146 HydrophobicContact CD1-CG1 4.34Å; F138-V146 HydrophobicContact CD1-CG2 3.69Å; F138-V146 HydrophobicContact CE1-CG2 4.4Å; F138-V146 PolarHBondContact O-N 2.98Å; V146-L148 HydrophobicContact CG1-CB 4.5Å; V146-L148 HydrophobicContact CG1-CD1 3.79Å; V146-L148 HydrophobicContact CG1-CG 3.63Å; V146-W207 HydrophobicContact CG1-CH2 3.95Å; V146-W207 HydrophobicContact CG1-CZ3 3.95Å; V146-W207 HydrophobicContact CG2-CZ3 3.75Å; V146-Y214 HydrophobicContact CG2-CD1 3.7Å; V146-Y214 HydrophobicContact CG2-CE1 3.32Å; V146-Y214 HydrophobicContact CG2-CE2 4.33Å; V146-Y214 HydrophobicContact CG2-CG 4.36Å
147D89.2Confident90.1Very high94 Ų9472.3 Ų72.350%0.50340%0.402SS..  trans-121.687.8171.6-179.232.5000109.1T145 K210T145-D147 PolarHBondContact O-N 3.23Å; D147-K210 PolarHBondContact O-NZ 2.98Å
148L90.8Very high90.6Very high22 Ų2271.6 Ų71.612%0.11538%0.384CS..  trans-90.9126.3179.6-76.9169.6000110.8H130 L134 V146 D155 L159 W207H130-L148 WeakPolarHBondContact NE2-CD1 3.29Å; L134-L148 HydrophobicContact CD1-CD1 4.05Å; V146-L148 HydrophobicContact CG1-CB 4.5Å; V146-L148 HydrophobicContact CG1-CD1 3.79Å; V146-L148 HydrophobicContact CG1-CG 3.63Å; L148-D155 HydrophobicContact CD2-CB 3.67Å; L148-L159 HydrophobicContact CD1-CD1 4.15Å; L148-L159 HydrophobicContact CD1-CD2 4.31Å; L148-W207 HydrophobicContact CD1-CH2 3.99Å; L148-W207 HydrophobicContact CD2-CH2 4.09Å; L148-W207 HydrophobicContact CD2-CZ2 4.31Å; L148-W207 HydrophobicContact CG-CH2 4.26Å
149K91.4Very high90.9Very high85 Ų8569.5 Ų69.537%0.3738%0.375SS..  trans-114.7111.3175.8-61.1-176.1-178.9179.90110.3E151 H152 D155K149-E151 HydrophobicContact CB-CG 4.02Å; K149-E151 PolarHBondContact O-N 2.94Å; K149-H152 PolarHBondContact O-N 3.46Å; K149-D155 PolarHBondContact N-OD2 3.05Å; K149-D155 WeakPolarHBondContact O-CB 3.36Å
150Y90.8Very high91Very high87 Ų8768 Ų6834%0.34136%0.36SS..THydrogen-bonded Turntrans-62.1-12.2-179.9-68.2-78.9000114.8R127 H130 H152 V156 L159R127-Y150 WeakPolarHBondContact CA-OH 3.38Å; R127-Y150 HydrophobicContact CG-CE1 3.88Å; R127-Y150 HydrophobicContact CG-CE2 4.31Å; R127-Y150 WeakPolarHBondContact CG-OH 3.4Å; H130-Y150 WeakPolarHBondContact CB-OH 3.4Å; H130-Y150 AromaticContact ND1-CE2 3.97Å; H130-Y150 AromaticContact ND1-CZ 3.6Å; H130-Y150 PolarHBondContact ND1-OH 3.19Å; Y150-H152 VanDerWaalsContact C-N 3.33Å; Y150-V156 HydrophobicContact CD1-CG2 4.28Å; Y150-L159 HydrophobicContact CE1-CD2 4.14Å
151E90.1Very high91.1Very high155 Ų15570.2 Ų70.272%0.72437%0.374SS*.THydrogen-bonded Turntrans-76.8-18.6171.460.2-175.2-172.600113.2K149K149-E151 HydrophobicContact CB-CG 4.02Å; K149-E151 PolarHBondContact O-N 2.94Å
152H92.9Very high91.4Very high76 Ų7663 Ų6335%0.35234%0.336SS..SBendtrans-95.6118.6177-62.3-32.7000110.2K149 Y150 S154 D155 V156K149-H152 PolarHBondContact O-N 3.46Å; Y150-H152 VanDerWaalsContact C-N 3.33Å; H152-S154 PolarHBondContact O-N 3.44Å; H152-D155 HydrophobicContact CB-CB 4.2Å; H152-D155 PolarHBondContact O-N 3.4Å; H152-D155 VanDerWaalsContact O-N 3.11Å; H152-V156 PolarHBondContact O-N 3.12Å
153L91.1Very high91.5Very high132 Ų13255.6 Ų55.669%0.69130%0.301SS*.Hα-helixtrans-57.4-35.2178.7-178.362.2000112.3V156 E157L153-V156 PolarHBondContact O-N 3.28Å; L153-E157 WeakPolarHBondContact O-CB 3.27Å; L153-E157 PolarHBondContact O-N 3.34Å
154S92.8Very high91.5Very high69 Ų6957 Ų5748%0.48329%0.294SS..Hα-helixtrans-59.8-45.7176.153.60000112.5H152 V156 E157 D158H152-S154 PolarHBondContact O-N 3.44Å; S154-V156 VanDerWaalsContact C-N 3.34Å; S154-V156 PolarHBondContact O-N 2.85Å; S154-E157 PolarHBondContact O-N 3.37Å; S154-D158 WeakPolarHBondContact O-CB 3.47Å; S154-D158 VanDerWaalsContact O-CG 3.26Å; S154-D158 PolarHBondContact O-N 2.9Å
155D93.7Very high91.6Very high2 Ų258.7 Ų58.71%0.01130%0.3CS..Hα-helixtrans-67.6-39.4-177.6-69.316.1000110.3L148 K149 H152 L159 H209 K210L148-D155 HydrophobicContact CD2-CB 3.67Å; K149-D155 PolarHBondContact N-OD2 3.05Å; K149-D155 WeakPolarHBondContact O-CB 3.36Å; H152-D155 HydrophobicContact CB-CB 4.2Å; H152-D155 PolarHBondContact O-N 3.4Å; H152-D155 VanDerWaalsContact O-N 3.11Å; D155-L159 WeakPolarHBondContact O-CB 3.46Å; D155-L159 PolarHBondContact O-N 2.85Å; D155-L159 VanDerWaalsContact O-N 3.16Å; D155-H209 IonicContact OD1-CE1 3.99Å; D155-H209 PolarHBondContact OD1-CE1 3.36Å; D155-K210 WeakPolarHBondContact OD1-CE 3.3Å; D155-K210 IonicContact OD1-NZ 2.99Å; D155-K210 PolarHBondContact OD1-NZ 3.09Å; D155-K210 IonicContact OD2-NZ 3Å; D155-K210 PolarHBondContact OD2-NZ 3.18Å
156V92.9Very high91.7Very high15 Ų1554.4 Ų54.49%0.09127%0.274CS..Hα-helixtrans-64.7-41.7174.91770000111.3L126 Y150 H152 L153 S154 L159 R160L126-V156 HydrophobicContact CD2-CG1 3.76Å; Y150-V156 HydrophobicContact CD1-CG2 4.28Å; H152-V156 PolarHBondContact O-N 3.12Å; L153-V156 PolarHBondContact O-N 3.28Å; S154-V156 VanDerWaalsContact C-N 3.34Å; S154-V156 PolarHBondContact O-N 2.85Å; V156-L159 PolarHBondContact O-N 2.93Å; V156-R160 VanDerWaalsContact CG1-CZ 3.5Å; V156-R160 VanDerWaalsContact O-CG 3.31Å; V156-R160 WeakPolarHBondContact O-CG 3.47Å; V156-R160 PolarHBondContact O-N 2.83Å
157E92.6Very high91.6Very high83 Ų8353.5 Ų53.539%0.38827%0.268SS..Hα-helixtrans-73.5-38.6-178.1-16260-15900112.8L153 S154 L159 R160 T161L153-E157 WeakPolarHBondContact O-CB 3.27Å; L153-E157 PolarHBondContact O-N 3.34Å; S154-E157 PolarHBondContact O-N 3.37Å; E157-L159 VanDerWaalsContact C-N 3.28Å; E157-L159 PolarHBondContact O-N 3.4Å; E157-R160 PolarHBondContact O-N 3.19Å; E157-R160 WeakPolarHBondContact OE2-CD 3.35Å; E157-R160 IonicContact OE2-NH1 2.62Å; E157-R160 PolarHBondContact OE2-NH1 2.89Å; E157-T161 WeakPolarHBondContact O-CB 3.31Å; E157-T161 PolarHBondContact O-N 3.35Å; E157-T161 PolarHBondContact O-OG1 3.46Å
158D92.7Very high91.6Very high45 Ų4554.8 Ų54.824%0.24127%0.271CS..Hα-helixtrans-59.8-42.3172.5-73.9-8000110.7S154 T161 L162 W207 H209S154-D158 WeakPolarHBondContact O-CB 3.47Å; S154-D158 VanDerWaalsContact O-CG 3.26Å; S154-D158 PolarHBondContact O-N 2.9Å; D158-T161 PolarHBondContact O-N 3.39Å; D158-L162 PolarHBondContact O-N 3.17Å; D158-W207 HydrophobicContact CB-CZ2 4.02Å; D158-W207 PolarHBondContact O-NE1 2.86Å; D158-H209 IonicContact OD2-CE1 3.74Å; D158-H209 IonicContact OD2-CG 3.32Å; D158-H209 IonicContact OD2-ND1 2.66Å; D158-H209 PolarHBondContact OD2-ND1 3.15Å
159L93.5Very high91.5Very high1 Ų156 Ų561%0.00528%0.281CS..Hα-helixtrans-69.9-36.5177.9-176.963.5000112.2L126 F129 H130 L134 L148 Y150 D155 V156 E157 L162 M163L126-L159 HydrophobicContact CD1-CB 4.26Å; L126-L159 HydrophobicContact CD1-CD2 3.89Å; L126-L159 HydrophobicContact CD1-CG 3.64Å; L126-L159 HydrophobicContact CD2-CD2 4.02Å; L126-L159 HydrophobicContact CD2-CG 4.46Å; L126-L159 HydrophobicContact CG-CD2 3.58Å; L126-L159 HydrophobicContact CG-CG 3.94Å; F129-L159 HydrophobicContact CD1-CD1 4.01Å; F129-L159 HydrophobicContact CE1-CD1 4.12Å; H130-L159 HydrophobicContact CB-CD1 4.2Å; H130-L159 HydrophobicContact CB-CD2 3.77Å; L134-L159 HydrophobicContact CD1-CD1 4.19Å; L148-L159 HydrophobicContact CD1-CD1 4.15Å; L148-L159 HydrophobicContact CD1-CD2 4.31Å; Y150-L159 HydrophobicContact CE1-CD2 4.14Å; D155-L159 WeakPolarHBondContact O-CB 3.46Å; D155-L159 PolarHBondContact O-N 2.85Å; D155-L159 VanDerWaalsContact O-N 3.16Å; V156-L159 PolarHBondContact O-N 2.93Å; E157-L159 VanDerWaalsContact C-N 3.28Å; E157-L159 PolarHBondContact O-N 3.4Å; L159-L162 HydrophobicContact CD1-CD2 4.45Å; L159-L162 PolarHBondContact O-N 3.15Å; L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 PolarHBondContact O-N 3.21Å
160R92Very high91.4Very high34 Ų3452 Ų5213%0.12826%0.264CS..Hα-helixtrans-64.2-43.6173.1-78171.1178.6154.11.5111.5E97 L126 V156 E157 L162 M163 E164E97-R160 IonicContact OE1-CZ 3.61Å; E97-R160 IonicContact OE1-NH2 2.74Å; E97-R160 PolarHBondContact OE1-NH2 3.19Å; E97-R160 IonicContact OE2-NH2 3.34Å; E97-R160 PolarHBondContact OE2-NH2 3.11Å; L126-R160 HydrophobicContact CD1-CG 3.83Å; L126-R160 HydrophobicContact CD2-CG 3.98Å; V156-R160 VanDerWaalsContact CG1-CZ 3.5Å; V156-R160 VanDerWaalsContact O-CG 3.31Å; V156-R160 WeakPolarHBondContact O-CG 3.47Å; V156-R160 PolarHBondContact O-N 2.83Å; E157-R160 PolarHBondContact O-N 3.19Å; E157-R160 WeakPolarHBondContact OE2-CD 3.35Å; E157-R160 IonicContact OE2-NH1 2.62Å; E157-R160 PolarHBondContact OE2-NH1 2.89Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.94Å; R160-M163 WeakPolarHBondContact O-CB 3.35Å; R160-M163 PolarHBondContact O-N 2.79Å; R160-M163 VanDerWaalsContact O-N 3.13Å; R160-E164 WeakPolarHBondContact O-CB 3.28Å; R160-E164 WeakPolarHBondContact O-CG 3.14Å; R160-E164 PolarHBondContact O-N 2.81Å
161T92.2Very high91Very high60 Ų6049.9 Ų49.937%0.36826%0.258SS..Hα-helixtrans-58.8-43.7175.9-57.50000110.6E157 D158 E164 N165E157-T161 WeakPolarHBondContact O-CB 3.31Å; E157-T161 PolarHBondContact O-N 3.35Å; E157-T161 PolarHBondContact O-OG1 3.46Å; D158-T161 PolarHBondContact O-N 3.39Å; T161-E164 PolarHBondContact O-N 2.93Å; T161-N165 WeakPolarHBondContact O-CB 3.45Å; T161-N165 PolarHBondContact O-N 3.35Å; T161-N165 PolarHBondContact O-ND2 2.85Å
162L93.5Very high90.9Very high1 Ų145.3 Ų45.31%0.00524%0.243CC..Hα-helixtrans-60.9-46.2174175.256.9000112.3F129 L134 D158 L159 R160 N165 S166 L205 W207 I216F129-L162 HydrophobicContact CE1-CB 4.42Å; F129-L162 HydrophobicContact CE1-CD2 4.03Å; F129-L162 HydrophobicContact CE1-CG 3.83Å; F129-L162 HydrophobicContact CZ-CD2 4.44Å; F129-L162 HydrophobicContact CZ-CG 3.96Å; L134-L162 HydrophobicContact CD1-CD2 4Å; L134-L162 HydrophobicContact CD2-CD2 4.42Å; L134-L162 HydrophobicContact CG-CD2 4.4Å; D158-L162 PolarHBondContact O-N 3.17Å; L159-L162 HydrophobicContact CD1-CD2 4.45Å; L159-L162 PolarHBondContact O-N 3.15Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.94Å; L162-N165 PolarHBondContact O-N 3.2Å; L162-S166 WeakPolarHBondContact O-CB 3.34Å; L162-S166 PolarHBondContact O-N 3.11Å; L162-L205 HydrophobicContact CD1-CB 4.24Å; L162-L205 HydrophobicContact CD1-CD1 3.74Å; L162-W207 HydrophobicContact CB-CG 4.23Å; L162-W207 HydrophobicContact CD1-CB 4.11Å; L162-W207 HydrophobicContact CD1-CG 4.21Å; L162-W207 HydrophobicContact CD2-CD2 3.96Å; L162-W207 HydrophobicContact CD2-CE3 4.37Å; L162-W207 HydrophobicContact CD2-CG 4.02Å; L162-W207 HydrophobicContact CG-CG 4.37Å; L162-I216 HydrophobicContact CD1-CD1 3.5Å; L162-I216 VanDerWaalsContact CD1-CD1 3.5Å; L162-I216 HydrophobicContact CD2-CD1 3.55Å; L162-I216 HydrophobicContact CG-CD1 4.13Å
163M91.9Very high90.6Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-61-47178.4-170176.275.700111.4V125 L126 F129 L159 R160 N165 S166 V167 G384V125-M163 HydrophobicContact CG1-CE 4.32Å; V125-M163 HydrophobicContact CG1-SD 3.82Å; L126-M163 HydrophobicContact CD1-CB 4.41Å; L126-M163 HydrophobicContact CD1-CE 4.14Å; L126-M163 HydrophobicContact CD1-SD 3.88Å; F129-M163 HydrophobicContact CB-CG 4.37Å; F129-M163 HydrophobicContact CB-SD 4.01Å; F129-M163 HydrophobicContact CD1-CB 3.86Å; F129-M163 HydrophobicContact CD1-CG 4.04Å; F129-M163 HydrophobicContact CD1-SD 4.45Å; F129-M163 HydrophobicContact CD2-CB 4.4Å; F129-M163 HydrophobicContact CD2-CG 3.87Å; F129-M163 HydrophobicContact CE1-CB 3.81Å; F129-M163 HydrophobicContact CE1-CG 4.31Å; F129-M163 HydrophobicContact CE2-CB 4.34Å; F129-M163 HydrophobicContact CE2-CG 4.13Å; F129-M163 HydrophobicContact CG-CB 4.17Å; F129-M163 HydrophobicContact CG-CG 3.81Å; F129-M163 HydrophobicContact CG-SD 4.1Å; F129-M163 HydrophobicContact CZ-CB 4.06Å; F129-M163 HydrophobicContact CZ-CG 4.36Å; L159-M163 WeakPolarHBondContact O-CB 3.44Å; L159-M163 PolarHBondContact O-N 3.21Å; R160-M163 WeakPolarHBondContact O-CB 3.35Å; R160-M163 PolarHBondContact O-N 2.79Å; R160-M163 VanDerWaalsContact O-N 3.13Å; M163-N165 PolarHBondContact O-N 3.38Å; M163-S166 WeakPolarHBondContact O-CB 3.35Å; M163-S166 PolarHBondContact O-N 2.99Å; M163-S166 VanDerWaalsContact O-N 3.16Å; M163-S166 PolarHBondContact O-OG 2.8Å; M163-V167 WeakPolarHBondContact O-CG2 3.44Å; M163-V167 PolarHBondContact O-N 3.02Å; M163-G384 WeakPolarHBondContact CE-O 3.35Å
164E89.3Confident90.2Very high80 Ų8040.9 Ų40.937%0.37422%0.222SC..Hα-helixtrans-60.7-44.6177.3-72.7170-165.400111.5R122 R160 T161 S166 V167 Q168R122-E164 IonicContact NH2-OE1 2.65Å; R122-E164 PolarHBondContact NH2-OE1 3.31Å; R160-E164 WeakPolarHBondContact O-CB 3.28Å; R160-E164 WeakPolarHBondContact O-CG 3.14Å; R160-E164 PolarHBondContact O-N 2.81Å; T161-E164 PolarHBondContact O-N 2.93Å; E164-S166 VanDerWaalsContact C-N 3.33Å; E164-S166 PolarHBondContact O-N 3.16Å; E164-V167 PolarHBondContact O-N 2.91Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.4Å
165N90.8Very high89.8Confident76 Ų7640.7 Ų40.741%0.40622%0.22SC..Hα-helixtrans-61.3-40.2174.5-72.5-20.4000112.2T161 L162 M163 V167 Q168 C169T161-N165 WeakPolarHBondContact O-CB 3.45Å; T161-N165 PolarHBondContact O-N 3.35Å; T161-N165 PolarHBondContact O-ND2 2.85Å; L162-N165 PolarHBondContact O-N 3.2Å; M163-N165 PolarHBondContact O-N 3.38Å; N165-V167 VanDerWaalsContact C-N 3.32Å; N165-V167 PolarHBondContact O-N 3.32Å; N165-Q168 PolarHBondContact O-N 2.93Å; N165-C169 WeakPolarHBondContact O-CB 3.26Å; N165-C169 PolarHBondContact O-N 2.85Å; N165-C169 PolarHBondContact O-SG 3.23Å
166S91.4Very high89.3Confident0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-63.8-37.8177.680.80000112.4F129 L162 M163 E164 T170 V224F129-S166 VanDerWaalsContact CE2-OG 3.23Å; F129-S166 WeakPolarHBondContact CE2-OG 3.5Å; L162-S166 WeakPolarHBondContact O-CB 3.34Å; L162-S166 PolarHBondContact O-N 3.11Å; M163-S166 WeakPolarHBondContact O-CB 3.35Å; M163-S166 PolarHBondContact O-N 2.99Å; M163-S166 VanDerWaalsContact O-N 3.16Å; M163-S166 PolarHBondContact O-OG 2.8Å; E164-S166 VanDerWaalsContact C-N 3.33Å; E164-S166 PolarHBondContact O-N 3.16Å; S166-T170 WeakPolarHBondContact O-CB 3.31Å; S166-T170 PolarHBondContact O-N 2.94Å; S166-T170 PolarHBondContact O-OG1 3.02Å; S166-V224 WeakPolarHBondContact OG-CG1 3.45Å
167V89Confident88.7Confident7 Ų747.1 Ų47.14%0.04225%0.249CC..Hα-helixtrans-68.7-46.2176.2172.50000110.6M163 E164 N165 C169 T170 I171 V224 H228 N386M163-V167 WeakPolarHBondContact O-CG2 3.44Å; M163-V167 PolarHBondContact O-N 3.02Å; E164-V167 PolarHBondContact O-N 2.91Å; N165-V167 VanDerWaalsContact C-N 3.32Å; N165-V167 PolarHBondContact O-N 3.32Å; V167-C169 VanDerWaalsContact C-N 3.35Å; V167-C169 PolarHBondContact O-N 2.79Å; V167-T170 WeakPolarHBondContact O-CB 3.5Å; V167-T170 PolarHBondContact O-N 3.33Å; V167-I171 HydrophobicContact CG1-CD1 3.75Å; V167-I171 HydrophobicContact CG1-CG1 4.48Å; V167-I171 WeakPolarHBondContact O-CG1 3.45Å; V167-I171 PolarHBondContact O-N 3.43Å; V167-V224 HydrophobicContact CG2-CG1 3.73Å; V167-H228 WeakPolarHBondContact CG2-CE1 3.42Å; V167-N386 HydrophobicContact CG1-CB 3.75Å
168Q87.6Confident88.1Confident120 Ų12047.3 Ų47.356%0.56125%0.253SS*.Hα-helixtrans-59.8-44.6177.2-69-60.3-23.900111.9E164 N165 T170 I171 S172E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.4Å; N165-Q168 PolarHBondContact O-N 2.93Å; Q168-T170 VanDerWaalsContact C-N 3.35Å; Q168-T170 PolarHBondContact O-N 3.47Å; Q168-I171 PolarHBondContact O-N 2.9Å; Q168-S172 WeakPolarHBondContact O-CB 3.41Å; Q168-S172 PolarHBondContact O-N 2.94Å
169C89.2Confident87.5Confident48 Ų4851.1 Ų51.132%0.32427%0.269SS..Hα-helixtrans-64.7-39.7176.1-66.10000112N165 V167 S172 L173 I203 L205N165-C169 WeakPolarHBondContact O-CB 3.26Å; N165-C169 PolarHBondContact O-N 2.85Å; N165-C169 PolarHBondContact O-SG 3.23Å; V167-C169 VanDerWaalsContact C-N 3.35Å; V167-C169 PolarHBondContact O-N 2.79Å; C169-S172 PolarHBondContact O-N 3.45Å; C169-L173 WeakPolarHBondContact O-CB 3.37Å; C169-L173 PolarHBondContact O-N 3.35Å; C169-I203 HydrophobicContact CB-CB 4.5Å; C169-I203 HydrophobicContact CB-CD1 4.18Å; C169-I203 HydrophobicContact CB-CG1 4.31Å; C169-I203 HydrophobicContact CB-CG2 3.41Å; C169-I203 VanDerWaalsContact CB-CG2 3.41Å; C169-L205 HydrophobicContact CB-CD2 4.22Å; C169-L205 VanDerWaalsContact SG-CD2 3.59Å
170T89.1Confident86.9Confident2 Ų256.6 Ų56.61%0.01229%0.293CS..Hα-helixtrans-59.8-47.6175.7-63.70000111.3S166 V167 Q168 L173 L174 I203 P221 L225S166-T170 WeakPolarHBondContact O-CB 3.31Å; S166-T170 PolarHBondContact O-N 2.94Å; S166-T170 PolarHBondContact O-OG1 3.02Å; V167-T170 WeakPolarHBondContact O-CB 3.5Å; V167-T170 PolarHBondContact O-N 3.33Å; Q168-T170 VanDerWaalsContact C-N 3.35Å; Q168-T170 PolarHBondContact O-N 3.47Å; T170-L173 PolarHBondContact O-N 2.99Å; T170-L174 HydrophobicContact CG2-CD1 3.91Å; T170-L174 HydrophobicContact CG2-CG 4.44Å; T170-L174 VanDerWaalsContact O-CG 3.28Å; T170-L174 WeakPolarHBondContact O-CG 3.36Å; T170-L174 PolarHBondContact O-N 2.66Å; T170-I203 WeakPolarHBondContact OG1-CD1 3.42Å; T170-P221 HydrophobicContact CG2-CB 3.92Å; T170-L225 HydrophobicContact CG2-CD2 4.37Å
171I83.6Confident86.2Confident42 Ų4258.9 Ų58.922%0.21531%0.308CS..Hα-helixtrans-65.8-45.9179.8-68.7167000110.7V167 Q168 L173 L174 C175 N386V167-I171 HydrophobicContact CG1-CD1 3.75Å; V167-I171 HydrophobicContact CG1-CG1 4.48Å; V167-I171 WeakPolarHBondContact O-CG1 3.45Å; V167-I171 PolarHBondContact O-N 3.43Å; Q168-I171 PolarHBondContact O-N 2.9Å; I171-L173 VanDerWaalsContact C-N 3.28Å; I171-L173 PolarHBondContact O-N 3.31Å; I171-L174 PolarHBondContact O-N 3.47Å; I171-C175 WeakPolarHBondContact O-CB 3.37Å; I171-C175 PolarHBondContact O-N 3.24Å; I171-C175 PolarHBondContact O-SG 3.17Å; I171-C175 VanDerWaalsContact O-SG 3.33Å; I171-N386 HydrophobicContact CD1-CB 4.45Å; I171-N386 WeakPolarHBondContact CD1-ND2 3.23Å
172S86.4Confident85.5Confident58 Ų5861.8 Ų61.841%0.40632%0.315SS..Hα-helixtrans-56-45176.3-1770000111.4Q168 C169 C175 Q176Q168-S172 WeakPolarHBondContact O-CB 3.41Å; Q168-S172 PolarHBondContact O-N 2.94Å; C169-S172 PolarHBondContact O-N 3.45Å; S172-C175 PolarHBondContact O-N 3Å; S172-Q176 WeakPolarHBondContact O-CB 3.44Å; S172-Q176 VanDerWaalsContact O-CG 3.25Å; S172-Q176 WeakPolarHBondContact O-CG 3.33Å; S172-Q176 PolarHBondContact O-N 3.45Å
173L87Confident84.5Confident28 Ų2866.4 Ų66.415%0.14734%0.34CS..Hα-helixtrans-63.2-46.4177.7-17672.5000111.6C169 T170 I171 C175 Q176 Q177 Y201 I203 P221C169-L173 WeakPolarHBondContact O-CB 3.37Å; C169-L173 PolarHBondContact O-N 3.35Å; T170-L173 PolarHBondContact O-N 2.99Å; I171-L173 VanDerWaalsContact C-N 3.28Å; I171-L173 PolarHBondContact O-N 3.31Å; L173-C175 PolarHBondContact O-N 3.47Å; L173-Q176 PolarHBondContact O-N 3.43Å; L173-Q177 VanDerWaalsContact O-CG 3.25Å; L173-Q177 WeakPolarHBondContact O-CG 3.39Å; L173-Q177 PolarHBondContact O-N 3.42Å; L173-Y201 WeakPolarHBondContact CD2-O 3.41Å; L173-I203 HydrophobicContact CD2-CG1 4.32Å; L173-P221 HydrophobicContact CD2-CG 3.6Å
174L83.9Confident83.4Confident88 Ų8870.4 Ų70.446%0.46136%0.361SS..Hα-helixtrans-65.4-37.8179-69.4173.6000112.4T170 I171 Q177 N178T170-L174 HydrophobicContact CG2-CD1 3.91Å; T170-L174 HydrophobicContact CG2-CG 4.44Å; T170-L174 VanDerWaalsContact O-CG 3.28Å; T170-L174 WeakPolarHBondContact O-CG 3.36Å; T170-L174 PolarHBondContact O-N 2.66Å; I171-L174 PolarHBondContact O-N 3.47Å; L174-Q177 PolarHBondContact O-N 3.47Å; L174-N178 WeakPolarHBondContact O-CB 3.33Å; L174-N178 PolarHBondContact O-N 3.23Å
175C83.7Confident82.2Confident65 Ų6573 Ų7344%0.43937%0.373SS..Hα-helixtrans-63.4-47.8174.6-74.50000111.5I171 S172 L173 Q177 N178 E179I171-C175 WeakPolarHBondContact O-CB 3.37Å; I171-C175 PolarHBondContact O-N 3.24Å; I171-C175 PolarHBondContact O-SG 3.17Å; I171-C175 VanDerWaalsContact O-SG 3.33Å; S172-C175 PolarHBondContact O-N 3Å; L173-C175 PolarHBondContact O-N 3.47Å; C175-Q177 VanDerWaalsContact C-N 3.28Å; C175-Q177 PolarHBondContact O-N 3.45Å; C175-N178 PolarHBondContact O-N 2.88Å; C175-N178 VanDerWaalsContact O-N 3.14Å; C175-E179 WeakPolarHBondContact O-CG 3.24Å; C175-E179 PolarHBondContact O-N 2.75Å
176Q84.2Confident80.8Confident111 Ų11177.2 Ų77.252%0.51939%0.39SS..Hα-helixtrans-59.6-39.4176.6-73.4171.61.100112.1S172 L173 E179 K180S172-Q176 WeakPolarHBondContact O-CB 3.44Å; S172-Q176 VanDerWaalsContact O-CG 3.25Å; S172-Q176 WeakPolarHBondContact O-CG 3.33Å; S172-Q176 PolarHBondContact O-N 3.45Å; L173-Q176 PolarHBondContact O-N 3.43Å; Q176-E179 PolarHBondContact O-N 3.42Å; Q176-K180 WeakPolarHBondContact O-CB 3.1Å; Q176-K180 PolarHBondContact O-N 3.32Å
177Q79.8Confident79.3Confident40 Ų4083.4 Ų83.419%0.18742%0.422CS..Hα-helixtrans-66.6-40.8175.4-69.9-69.8-18.300112L173 L174 C175 E179 K180 N181 Y201L173-Q177 VanDerWaalsContact O-CG 3.25Å; L173-Q177 WeakPolarHBondContact O-CG 3.39Å; L173-Q177 PolarHBondContact O-N 3.42Å; L174-Q177 PolarHBondContact O-N 3.47Å; C175-Q177 VanDerWaalsContact C-N 3.28Å; C175-Q177 PolarHBondContact O-N 3.45Å; Q177-E179 VanDerWaalsContact C-N 3.35Å; Q177-E179 PolarHBondContact O-N 2.82Å; Q177-K180 PolarHBondContact O-N 3.36Å; Q177-N181 WeakPolarHBondContact O-CB 3.33Å; Q177-N181 PolarHBondContact O-N 2.74Å; Q177-N181 PolarHBondContact O-ND2 3.17Å; Q177-Y201 HydrophobicContact CG-CE1 4.16Å
178N79.9Confident77.6Confident88 Ų8889.4 Ų89.447%0.47145%0.45SS..Hα-helixtrans-64.5-39.9176.6-168.419.7000111.7L174 C175 N181 K182L174-N178 WeakPolarHBondContact O-CB 3.33Å; L174-N178 PolarHBondContact O-N 3.23Å; C175-N178 PolarHBondContact O-N 2.88Å; C175-N178 VanDerWaalsContact O-N 3.14Å; N178-N181 PolarHBondContact O-N 3.23Å; N178-K182 VanDerWaalsContact O-CG 3.3Å; N178-K182 WeakPolarHBondContact O-CG 3.25Å; N178-K182 PolarHBondContact O-N 3.11Å
179E80.3Confident75.9Confident125 Ų12589 Ų8958%0.58446%0.458SS*.Hα-helixtrans-64.2-44173.9-71.7177.2173.100111.9C175 Q176 Q177 K182 L183C175-E179 WeakPolarHBondContact O-CG 3.24Å; C175-E179 PolarHBondContact O-N 2.75Å; Q176-E179 PolarHBondContact O-N 3.42Å; Q177-E179 VanDerWaalsContact C-N 3.35Å; Q177-E179 PolarHBondContact O-N 2.82Å; E179-K182 PolarHBondContact O-N 2.9Å; E179-L183 WeakPolarHBondContact O-CG 3.3Å; E179-L183 PolarHBondContact O-N 3.49Å
180K79.9Confident73.7Confident115 Ų11596.2 Ų96.250%0.548%0.483SS..Hα-helixtrans-61.4-45.4175.6-172-178175.6-173.90111.9Q176 Q177 K182 L183 D184Q176-K180 WeakPolarHBondContact O-CB 3.1Å; Q176-K180 PolarHBondContact O-N 3.32Å; Q177-K180 PolarHBondContact O-N 3.36Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.34Å; K180-L183 PolarHBondContact O-N 3.28Å; K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 3Å
181N76.8Confident71.4Confident82 Ų8299.2 Ų99.244%0.43951%0.508SS..Hα-helixtrans-62.7-39.2177.5-69.9-15.4000111.9Q177 N178 D184 E185Q177-N181 WeakPolarHBondContact O-CB 3.33Å; Q177-N181 PolarHBondContact O-N 2.74Å; Q177-N181 PolarHBondContact O-ND2 3.17Å; N178-N181 PolarHBondContact O-N 3.23Å; N181-D184 PolarHBondContact O-N 2.93Å; N181-E185 WeakPolarHBondContact O-CB 3.44Å; N181-E185 WeakPolarHBondContact O-CG 3.26Å; N181-E185 PolarHBondContact O-N 3.42Å
182K77.8Confident69.2Low121 Ų121104.5 Ų104.553%0.52654%0.537SS..Hα-helixtrans-63.7-41.3174.3-75.1176.3-178.4-176.40112.4N178 E179 K180 E186N178-K182 VanDerWaalsContact O-CG 3.3Å; N178-K182 WeakPolarHBondContact O-CG 3.25Å; N178-K182 PolarHBondContact O-N 3.11Å; E179-K182 PolarHBondContact O-N 2.9Å; K180-K182 VanDerWaalsContact C-N 3.33Å; K180-K182 PolarHBondContact O-N 3.34Å; K182-E186 PolarHBondContact O-N 3.2Å; K182-E186 VanDerWaalsContact O-N 3.08Å
183L73Confident66.8Low99 Ų99111.4 Ų111.452%0.51856%0.563SS.*Hα-helixtrans-66.2-41.1175.8-71.6164.3000111.5E179 K180 E186 I187E179-L183 WeakPolarHBondContact O-CG 3.3Å; E179-L183 PolarHBondContact O-N 3.49Å; K180-L183 PolarHBondContact O-N 3.28Å; L183-E186 PolarHBondContact O-N 2.89Å; L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.26Å; L183-I187 PolarHBondContact O-N 2.96Å; L183-I187 VanDerWaalsContact O-N 3.13Å
184D67.9Low64.6Low83 Ų83114.9 Ų114.944%0.44459%0.59SS.*Hα-helixtrans-68-37.6177.9-70.7-21.4000111.4K180 N181 I187 Q188K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 3Å; N181-D184 PolarHBondContact O-N 2.93Å; D184-I187 PolarHBondContact O-N 3.32Å; D184-Q188 PolarHBondContact O-N 2.75Å
185E65.2Low62.5Low136 Ų136118.8 Ų118.864%0.63661%0.61SS**Hα-helixtrans-65-35.8173.4-79.6-177.2175.800113N181N181-E185 WeakPolarHBondContact O-CB 3.44Å; N181-E185 WeakPolarHBondContact O-CG 3.26Å; N181-E185 PolarHBondContact O-N 3.42Å
186E61.4Low60.4Low164 Ų164121.3 Ų121.377%0.76662%0.618SS**Hα-helixtrans-70.7-32.3174.6-79.5-174.6173.600112.7K182 L183K182-E186 PolarHBondContact O-N 3.2Å; K182-E186 VanDerWaalsContact O-N 3.08Å; L183-E186 PolarHBondContact O-N 2.89Å
187I59.8Low58.4Low130 Ų130121.4 Ų121.467%0.66762%0.623SS**Hα-helixtrans-85-36.5-176.1-65.3168.4000111.5L183 D184L183-I187 VanDerWaalsContact O-CG1 3.28Å; L183-I187 WeakPolarHBondContact O-CG1 3.26Å; L183-I187 PolarHBondContact O-N 2.96Å; L183-I187 VanDerWaalsContact O-N 3.13Å; D184-I187 PolarHBondContact O-N 3.32Å
188Q52.7Low57Low133 Ų133124.7 Ų124.762%0.62164%0.641SS**  trans-151.2101.3174.2-70.8-163.61.600112.5D184 K190D184-Q188 PolarHBondContact O-N 2.75Å; Q188-K190 PolarHBondContact O-N 2.87Å
189P51.5Low55.6Low112 Ų112127 Ų12773%0.72765%0.654SS**SBendtrans-74.62-173.628.4-34.1000114.6
190K43.2Very low54.6Low198 Ų198128.7 Ų128.786%0.86166%0.66SS**  trans-151.372.9-171.8-68.9-172.7178.2177.70112.1Q188Q188-K190 PolarHBondContact O-N 2.87Å
191A40.7Very low54.5Low66 Ų66125.4 Ų125.455%0.54565%0.645SS.*  trans-148.298160.700000110.4
192N39.1Very low54.9Low152 Ų152124 Ų12481%0.81364%0.637SS**  trans34.9118.1142.6-60.1-15.7000118.7S194N192-S194 VanDerWaalsContact C-N 3.33Å; N192-S194 PolarHBondContact O-N 3.02Å
193E35.3Very low55.3Low203 Ų203118.9 Ų118.995%0.94962%0.615SS**  trans1.876.8141.6-65.7179161.900114.6L195E193-L195 PolarHBondContact O-N 3.03Å
194S41.4Very low56.1Low102 Ų102118.9 Ų118.971%0.71362%0.619SS**  trans-80111.3165.761.40000106.7N192 L196N192-S194 VanDerWaalsContact C-N 3.33Å; N192-S194 PolarHBondContact O-N 3.02Å; S194-L196 PolarHBondContact O-N 3.33Å
195L39.4Very low57.2Low169 Ų169115.4 Ų115.489%0.88560%0.601SS**  trans-30.4106.3164.2-75.1138.2000110.4E193 N197E193-L195 PolarHBondContact O-N 3.03Å; L195-N197 PolarHBondContact O-N 2.79Å
196L39.2Very low58.4Low118 Ų118115.7 Ų115.762%0.61860%0.602SS**  trans-60.3108.3173.9-70.4157.7000106.9S194 N198 Y201S194-L196 PolarHBondContact O-N 3.33Å; L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.24Å; L196-N198 PolarHBondContact O-OD1 3.12Å; L196-Y201 HydrophobicContact CB-CE2 4.23Å; L196-Y201 HydrophobicContact CD2-CE2 4.28Å; L196-Y201 WeakPolarHBondContact CD2-OH 3.4Å
197N41.4Very low59.8Low113 Ų113108.4 Ų108.460%0.60457%0.568SS**  trans-61.198.8166.9-96.2-11.9000107.4L195 D199 F200 Y201L195-N197 PolarHBondContact O-N 2.79Å; N197-D199 PolarHBondContact O-N 3.03Å; N197-F200 HydrophobicContact CB-CD2 4.2Å; N197-F200 PolarHBondContact O-N 3.24Å; N197-Y201 VanDerWaalsContact O-CE2 3.28Å; N197-Y201 WeakPolarHBondContact O-CE2 3.41Å
198N50.3Low61.3Low109 Ų109106 Ų10658%0.58356%0.559SS**G310 helixtrans-59.1-18.7-173.3-80.7-17000113.9L196 F200L196-N198 VanDerWaalsContact C-N 3.32Å; L196-N198 PolarHBondContact O-N 3.24Å; L196-N198 PolarHBondContact O-OD1 3.12Å; N198-F200 VanDerWaalsContact C-N 3.33Å; N198-F200 PolarHBondContact O-N 2.81Å
199D51.9Low63Low138 Ų13899.8 Ų99.874%0.73853%0.53SS*.G310 helixtrans-73.3-21.4-175.7-67.2-27.1000114N197 Y201N197-D199 PolarHBondContact O-N 3.03Å; D199-Y201 VanDerWaalsContact C-N 3.28Å; D199-Y201 PolarHBondContact O-N 3.46Å
200F58.4Low64.8Low160 Ų16099.3 Ų99.370%0.70252%0.516SS*.G310 helixtrans-80-5.6-179.4-82.1-80.2000114.5N197 N198N197-F200 HydrophobicContact CB-CD2 4.2Å; N197-F200 PolarHBondContact O-N 3.24Å; N198-F200 VanDerWaalsContact C-N 3.33Å; N198-F200 PolarHBondContact O-N 2.81Å
201Y77.2Confident66.9Low46 Ų4698.9 Ų98.918%0.1852%0.517CS..G310 helixtrans-93.1-3.4-173.4-64.2-76.8000113.8L173 Q177 L196 N197 D199 P221L173-Y201 WeakPolarHBondContact CD2-O 3.41Å; Q177-Y201 HydrophobicContact CG-CE1 4.16Å; L196-Y201 HydrophobicContact CB-CE2 4.23Å; L196-Y201 HydrophobicContact CD2-CE2 4.28Å; L196-Y201 WeakPolarHBondContact CD2-OH 3.4Å; N197-Y201 VanDerWaalsContact O-CE2 3.28Å; N197-Y201 WeakPolarHBondContact O-CE2 3.41Å; D199-Y201 VanDerWaalsContact C-N 3.28Å; D199-Y201 PolarHBondContact O-N 3.46Å; Y201-P221 WeakPolarHBondContact O-CD 3.27Å; Y201-P221 WeakPolarHBondContact O-CG 3.48Å
202N85.6Confident69.2Low53 Ų5398.2 Ų98.228%0.28350%0.504SS..  trans-80.1138.5-173.9-67-35.2000112.5
203I87.1Confident71.7Confident12 Ų1297 Ų976%0.06249%0.494CS..EExtended strand (participates in β ladder)trans-89.5140173.1-58.1161.1000108C169 T170 L173 L205 L219 P221C169-I203 HydrophobicContact CB-CB 4.5Å; C169-I203 HydrophobicContact CB-CD1 4.18Å; C169-I203 HydrophobicContact CB-CG1 4.31Å; C169-I203 HydrophobicContact CB-CG2 3.41Å; C169-I203 VanDerWaalsContact CB-CG2 3.41Å; T170-I203 WeakPolarHBondContact OG1-CD1 3.42Å; L173-I203 HydrophobicContact CD2-CG1 4.32Å; I203-L205 HydrophobicContact CG2-CD2 3.68Å; I203-L205 HydrophobicContact CG2-CG 3.88Å; I203-L219 HydrophobicContact CB-CB 4.41Å; I203-L219 PolarHBondContact N-O 2.96Å; I203-L219 PolarHBondContact O-N 3Å; I203-P221 HydrophobicContact CD1-CG 4.27Å
204T89.2Confident74.4Confident99 Ų9987.5 Ų87.561%0.60745%0.45SS*.EExtended strand (participates in β ladder)trans-110.2128.5168-57.90000108.2I216T204-I216 WeakPolarHBondContact CA-O 3.2Å
205L90.5Very high76.8Confident10 Ų1085.9 Ų85.95%0.05243%0.433CS..EExtended strand (participates in β ladder)trans-120.6141178.8-58.7171.6000109.9L162 C169 I203 I216 L219L162-L205 HydrophobicContact CD1-CB 4.24Å; L162-L205 HydrophobicContact CD1-CD1 3.74Å; C169-L205 HydrophobicContact CB-CD2 4.22Å; C169-L205 VanDerWaalsContact SG-CD2 3.59Å; I203-L205 HydrophobicContact CG2-CD2 3.68Å; I203-L205 HydrophobicContact CG2-CG 3.88Å; L205-I216 HydrophobicContact CB-CB 4.28Å; L205-I216 HydrophobicContact CB-CD1 4.44Å; L205-I216 PolarHBondContact N-O 2.98Å; L205-I216 PolarHBondContact O-N 3.25Å; L205-L219 HydrophobicContact CD1-CD2 3.64Å
206Q90.5Very high79.2Confident142 Ų14278.2 Ų78.266%0.66439%0.393SS*.EExtended strand (participates in β ladder)trans-103.9126.3165.7-60.5-160.4-57.300108.7D215Q206-D215 PolarHBondContact NE2-OD1 2.83Å
207W92.3Very high81.2Confident12 Ų1276.6 Ų76.65%0.04539%0.391CS..EExtended strand (participates in β ladder)trans-123.6136-177.6-178.652000110.2L134 V146 L148 D158 L162 H209 Q213 Y214 I216L134-W207 HydrophobicContact CD1-CE3 4.21Å; L134-W207 HydrophobicContact CD1-CH2 3.87Å; L134-W207 HydrophobicContact CD1-CZ3 3.65Å; V146-W207 HydrophobicContact CG1-CH2 3.95Å; V146-W207 HydrophobicContact CG1-CZ3 3.95Å; V146-W207 HydrophobicContact CG2-CZ3 3.75Å; L148-W207 HydrophobicContact CD1-CH2 3.99Å; L148-W207 HydrophobicContact CD2-CH2 4.09Å; L148-W207 HydrophobicContact CD2-CZ2 4.31Å; L148-W207 HydrophobicContact CG-CH2 4.26Å; D158-W207 HydrophobicContact CB-CZ2 4.02Å; D158-W207 PolarHBondContact O-NE1 2.86Å; L162-W207 HydrophobicContact CB-CG 4.23Å; L162-W207 HydrophobicContact CD1-CB 4.11Å; L162-W207 HydrophobicContact CD1-CG 4.21Å; L162-W207 HydrophobicContact CD2-CD2 3.96Å; L162-W207 HydrophobicContact CD2-CE3 4.37Å; L162-W207 HydrophobicContact CD2-CG 4.02Å; L162-W207 HydrophobicContact CG-CG 4.37Å; W207-H209 HydrophobicContact CD2-CB 4.19Å; W207-H209 HydrophobicContact CE3-CB 4.17Å; W207-H209 HydrophobicContact CH2-CB 3.49Å; W207-H209 VanDerWaalsContact CH2-CB 3.49Å; W207-H209 AromaticContact CH2-CD2 4Å; W207-H209 AromaticContact CH2-CG 3.61Å; W207-H209 HydrophobicContact CZ2-CB 3.52Å; W207-H209 AromaticContact CZ2-CG 3.76Å; W207-H209 HydrophobicContact CZ3-CB 3.83Å; W207-Q213 CarbonylContact O-C 3.56Å; W207-Q213 WeakPolarHBondContact O-CA 3.27Å; W207-Y214 AromaticContact CE3-CD2 3.78Å; W207-Y214 HydrophobicContact CE3-CD2 3.78Å; W207-Y214 AromaticContact CE3-CG 4Å; W207-Y214 HydrophobicContact CE3-CG 4Å; W207-Y214 HydrophobicContact CZ3-CD2 4.08Å; W207-Y214 HydrophobicContact CZ3-CE2 4.4Å; W207-Y214 HydrophobicContact CZ3-CG 4.38Å; W207-Y214 PolarHBondContact N-O 2.97Å; W207-Y214 PolarHBondContact O-N 2.83Å; W207-I216 HydrophobicContact CB-CD1 4.25Å
208T90.2Very high83.2Confident78 Ų7875 Ų7548%0.47939%0.389SS..EExtended strand (participates in β ladder)trans-112124.5175.3-58.60000108.7N212T208-N212 WeakPolarHBondContact CA-O 3.31Å
209H89.5Confident85.1Confident3 Ų370.3 Ų70.31%0.01436%0.364CS..EExtended strand (participates in β ladder)trans-137.7127.8177.4178.659.2000110D155 D158 W207 Q211 N212 Y214D155-H209 IonicContact OD1-CE1 3.99Å; D155-H209 PolarHBondContact OD1-CE1 3.36Å; D158-H209 IonicContact OD2-CE1 3.74Å; D158-H209 IonicContact OD2-CG 3.32Å; D158-H209 IonicContact OD2-ND1 2.66Å; D158-H209 PolarHBondContact OD2-ND1 3.15Å; W207-H209 HydrophobicContact CD2-CB 4.19Å; W207-H209 HydrophobicContact CE3-CB 4.17Å; W207-H209 HydrophobicContact CH2-CB 3.49Å; W207-H209 VanDerWaalsContact CH2-CB 3.49Å; W207-H209 AromaticContact CH2-CD2 4Å; W207-H209 AromaticContact CH2-CG 3.61Å; W207-H209 HydrophobicContact CZ2-CB 3.52Å; W207-H209 AromaticContact CZ2-CG 3.76Å; W207-H209 HydrophobicContact CZ3-CB 3.83Å; H209-Q211 VanDerWaalsContact C-N 3.25Å; H209-Q211 PolarHBondContact O-N 3.37Å; H209-N212 PolarHBondContact N-O 2.94Å; H209-N212 PolarHBondContact O-N 3.11Å; H209-Y214 HydrophobicContact CB-CD2 4.33Å; H209-Y214 HydrophobicContact CB-CE2 3.97Å
210K88.1Confident87Confident103 Ų10367 Ų6745%0.44834%0.344SS..THydrogen-bonded Turntrans46.347.4-178.4-67.8172.3-177.5145.40112.9D147 D155 N212D147-K210 PolarHBondContact O-NZ 2.98Å; D155-K210 WeakPolarHBondContact OD1-CE 3.3Å; D155-K210 IonicContact OD1-NZ 2.99Å; D155-K210 PolarHBondContact OD1-NZ 3.09Å; D155-K210 IonicContact OD2-NZ 3Å; D155-K210 PolarHBondContact OD2-NZ 3.18Å; K210-N212 PolarHBondContact O-N 3.04Å
211Q87.4Confident88.5Confident189 Ų18959.9 Ų59.988%0.88331%0.314SS*.THydrogen-bonded Turntrans69.8-4.7-178.5-52.8175.6-6.100116.2H209H209-Q211 VanDerWaalsContact C-N 3.25Å; H209-Q211 PolarHBondContact O-N 3.37Å
212N89.9Confident89.1Confident51 Ų5160.6 Ų60.627%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-94.1137.8176-64.4-29.6000110.5T208 H209 K210 Y214T208-N212 WeakPolarHBondContact CA-O 3.31Å; H209-N212 PolarHBondContact N-O 2.94Å; H209-N212 PolarHBondContact O-N 3.11Å; K210-N212 PolarHBondContact O-N 3.04Å; N212-Y214 HydrophobicContact CB-CE2 3.69Å; N212-Y214 WeakPolarHBondContact O-CD2 3.4Å
213Q91.1Very high89.4Confident128 Ų12859.8 Ų59.860%0.59832%0.322SS*.EExtended strand (participates in β ladder)trans-91.8140.4172.6-69.5-172.6-11.800110.7N140 W207N140-Q213 WeakPolarHBondContact CB-O 3.35Å; N140-Q213 PolarHBondContact ND2-O 3.39Å; N140-Q213 VanDerWaalsContact ND2-O 3.11Å; W207-Q213 CarbonylContact O-C 3.56Å; W207-Q213 WeakPolarHBondContact O-CA 3.27Å
214Y91.8Very high89.5Confident3 Ų359.2 Ų59.21%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-129.7127.8179.7-64.3-91.8000109.4F138 N140 C144 V146 W207 H209 N212F138-Y214 HydrophobicContact CD1-CD1 4.13Å; F138-Y214 AromaticContact CE1-CD1 3.81Å; F138-Y214 HydrophobicContact CE1-CD1 3.81Å; F138-Y214 HydrophobicContact CE1-CG 4.29Å; N140-Y214 HydrophobicContact CB-CD1 3.69Å; N140-Y214 HydrophobicContact CB-CE1 3.95Å; N140-Y214 HydrophobicContact CB-CG 4.25Å; C144-Y214 WeakPolarHBondContact O-CE1 3.37Å; V146-Y214 HydrophobicContact CG2-CD1 3.7Å; V146-Y214 HydrophobicContact CG2-CE1 3.32Å; V146-Y214 HydrophobicContact CG2-CE2 4.33Å; V146-Y214 HydrophobicContact CG2-CG 4.36Å; W207-Y214 AromaticContact CE3-CD2 3.78Å; W207-Y214 HydrophobicContact CE3-CD2 3.78Å; W207-Y214 AromaticContact CE3-CG 4Å; W207-Y214 HydrophobicContact CE3-CG 4Å; W207-Y214 HydrophobicContact CZ3-CD2 4.08Å; W207-Y214 HydrophobicContact CZ3-CE2 4.4Å; W207-Y214 HydrophobicContact CZ3-CG 4.38Å; W207-Y214 PolarHBondContact N-O 2.97Å; W207-Y214 PolarHBondContact O-N 2.83Å; H209-Y214 HydrophobicContact CB-CD2 4.33Å; H209-Y214 HydrophobicContact CB-CE2 3.97Å; N212-Y214 HydrophobicContact CB-CE2 3.69Å; N212-Y214 WeakPolarHBondContact O-CD2 3.4Å
215D91.2Very high89.6Confident68 Ų6857.1 Ų57.136%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-97.2115.5174.3-65.4-44.5000109.2Q206 S217Q206-D215 PolarHBondContact NE2-OD1 2.83Å; D215-S217 PolarHBondContact O-N 3.38Å
216I89.9Confident89.7Confident7 Ų760.5 Ų60.54%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-97.189.8174.3-58158.9000106.5V133 L134 F138 L162 T204 L205 W207 L219V133-I216 HydrophobicContact CG1-CD1 4.09Å; V133-I216 HydrophobicContact CG1-CG2 3.94Å; L134-I216 HydrophobicContact CD2-CD1 3.91Å; L134-I216 HydrophobicContact CD2-CG1 4.08Å; F138-I216 HydrophobicContact CE1-CG1 4.33Å; F138-I216 HydrophobicContact CZ-CG1 3.77Å; L162-I216 HydrophobicContact CD1-CD1 3.5Å; L162-I216 VanDerWaalsContact CD1-CD1 3.5Å; L162-I216 HydrophobicContact CD2-CD1 3.55Å; L162-I216 HydrophobicContact CG-CD1 4.13Å; T204-I216 WeakPolarHBondContact CA-O 3.2Å; L205-I216 HydrophobicContact CB-CB 4.28Å; L205-I216 HydrophobicContact CB-CD1 4.44Å; L205-I216 PolarHBondContact N-O 2.98Å; L205-I216 PolarHBondContact O-N 3.25Å; W207-I216 HydrophobicContact CB-CD1 4.25Å; I216-L219 HydrophobicContact CG2-CB 4.3Å
217S82.2Confident89.8Confident84 Ų8453.7 Ų53.759%0.58729%0.29SS*.EExtended strand (participates in β ladder)trans-82.1145.2174.158.30000111D215D215-S217 PolarHBondContact O-N 3.38Å
218S83.9Confident89.7Confident80 Ų8053.1 Ų53.156%0.55929%0.288SS*.EExtended strand (participates in β ladder)trans71.633169.7-53.30000116.2H220S218-H220 PolarHBondContact O-N 2.95Å
219L89.5Confident89.8Confident11 Ų1151 Ų516%0.05827%0.273CS..EExtended strand (participates in β ladder)trans-77.4109.3175.6179.662000110.9V133 I203 L205 I216 T223 V224V133-L219 HydrophobicContact CG1-CD1 4.43Å; V133-L219 HydrophobicContact CG2-CD1 3.74Å; V133-L219 HydrophobicContact CG2-CD2 4.49Å; I203-L219 HydrophobicContact CB-CB 4.41Å; I203-L219 PolarHBondContact N-O 2.96Å; I203-L219 PolarHBondContact O-N 3Å; L205-L219 HydrophobicContact CD1-CD2 3.64Å; I216-L219 HydrophobicContact CG2-CB 4.3Å; L219-T223 HydrophobicContact CD1-CG2 3.97Å; L219-V224 HydrophobicContact CD1-CG2 4.34Å; L219-V224 HydrophobicContact CD2-CG2 3.7Å; L219-V224 HydrophobicContact CG-CG2 3.99Å
220H91.1Very high90.1Very high68 Ų6853.5 Ų53.532%0.31529%0.286SS..  trans-72.8137.2178.5-166.9-91000111.6S218 S222 T223S218-H220 PolarHBondContact O-N 2.95Å; H220-S222 PolarHBondContact CE1-OG 3.43Å; H220-S222 WeakPolarHBondContact ND1-CB 3.49Å; H220-S222 PolarHBondContact ND1-N 3.38Å; H220-S222 VanDerWaalsContact ND1-N 3.15Å; H220-S222 PolarHBondContact ND1-OG 2.7Å; H220-S222 PolarHBondContact O-N 3.27Å; H220-S222 VanDerWaalsContact O-N 3.17Å; H220-T223 VanDerWaalsContact O-CB 3.26Å; H220-T223 WeakPolarHBondContact O-CB 3.5Å; H220-T223 PolarHBondContact O-N 2.85Å; H220-T223 PolarHBondContact O-OG1 2.91Å
221P89.4Confident90.4Very high10 Ų1048.6 Ų48.67%0.06527%0.265CS..Hα-helixtrans-53.6-37179.3-32.537.3000113.9T170 L173 Y201 I203 T223 V224 L225T170-P221 HydrophobicContact CG2-CB 3.92Å; L173-P221 HydrophobicContact CD2-CG 3.6Å; Y201-P221 WeakPolarHBondContact O-CD 3.27Å; Y201-P221 WeakPolarHBondContact O-CG 3.48Å; I203-P221 HydrophobicContact CD1-CG 4.27Å; P221-T223 PolarHBondContact O-N 2.92Å; P221-V224 WeakPolarHBondContact O-CB 3.49Å; P221-V224 PolarHBondContact O-N 2.97Å; P221-V224 VanDerWaalsContact O-N 3.17Å; P221-L225 WeakPolarHBondContact O-CG 3.48Å; P221-L225 PolarHBondContact O-N 2.86Å
222S90.5Very high90.7Very high62 Ų6239.6 Ų39.643%0.43422%0.223SC..Hα-helixtrans-63.1-29177.570.50000112.9H220 L225 L226H220-S222 PolarHBondContact CE1-OG 3.43Å; H220-S222 WeakPolarHBondContact ND1-CB 3.49Å; H220-S222 PolarHBondContact ND1-N 3.38Å; H220-S222 VanDerWaalsContact ND1-N 3.15Å; H220-S222 PolarHBondContact ND1-OG 2.7Å; H220-S222 PolarHBondContact O-N 3.27Å; H220-S222 VanDerWaalsContact O-N 3.17Å; S222-L225 PolarHBondContact O-N 3.21Å; S222-L226 WeakPolarHBondContact O-CB 3.28Å; S222-L226 PolarHBondContact O-N 3.07Å
223T92Very high91Very high35 Ų3539 Ų3922%0.21523%0.225CC..Hα-helixtrans-66.1-42.6175.6-55.70000110.5L132 V133 L219 H220 P221 L226 S227L132-T223 HydrophobicContact CB-CG2 3.73Å; L132-T223 HydrophobicContact CD1-CG2 4.16Å; L132-T223 HydrophobicContact CG-CG2 4.48Å; V133-T223 HydrophobicContact CG2-CG2 4.41Å; L219-T223 HydrophobicContact CD1-CG2 3.97Å; H220-T223 VanDerWaalsContact O-CB 3.26Å; H220-T223 WeakPolarHBondContact O-CB 3.5Å; H220-T223 PolarHBondContact O-N 2.85Å; H220-T223 PolarHBondContact O-OG1 2.91Å; P221-T223 PolarHBondContact O-N 2.92Å; T223-L226 PolarHBondContact O-N 2.73Å; T223-S227 PolarHBondContact O-N 3.27Å
224V90.5Very high91.1Very high0 Ų034.6 Ų34.60%021%0.208CC..Hα-helixtrans-64.2-49.7174.8-177.20000109.8S166 V167 L219 P221 L226 S227 H228S166-V224 WeakPolarHBondContact OG-CG1 3.45Å; V167-V224 HydrophobicContact CG2-CG1 3.73Å; L219-V224 HydrophobicContact CD1-CG2 4.34Å; L219-V224 HydrophobicContact CD2-CG2 3.7Å; L219-V224 HydrophobicContact CG-CG2 3.99Å; P221-V224 WeakPolarHBondContact O-CB 3.49Å; P221-V224 PolarHBondContact O-N 2.97Å; P221-V224 VanDerWaalsContact O-N 3.17Å; V224-L226 VanDerWaalsContact C-N 3.33Å; V224-L226 PolarHBondContact O-N 2.91Å; V224-S227 PolarHBondContact O-N 2.61Å; V224-S227 PolarHBondContact O-OG 3.02Å; V224-H228 PolarHBondContact O-ND1 3.16Å
225L90.1Very high91.2Very high55 Ų5534.5 Ų34.529%0.28821%0.208SC..Hα-helixtrans-61-41.7178.5-62.4177.2000112.2T170 P221 S222 S227 H228 I229 I389T170-L225 HydrophobicContact CG2-CD2 4.37Å; P221-L225 WeakPolarHBondContact O-CG 3.48Å; P221-L225 PolarHBondContact O-N 2.86Å; S222-L225 PolarHBondContact O-N 3.21Å; L225-S227 PolarHBondContact O-N 3.4Å; L225-H228 PolarHBondContact O-N 2.64Å; L225-I229 PolarHBondContact O-N 3.29Å; L225-I389 HydrophobicContact CD2-CD1 3.5Å; L225-I389 HydrophobicContact CD2-CG1 3.79Å; L225-I389 HydrophobicContact CD2-CG2 4.29Å
226L92.1Very high91.1Very high81 Ų8133.3 Ų33.342%0.42421%0.205SC..Hα-helixtrans-64.8-39.6179.9-176.564.2000111.7S222 T223 V224 H228 I229 L230S222-L226 WeakPolarHBondContact O-CB 3.28Å; S222-L226 PolarHBondContact O-N 3.07Å; T223-L226 PolarHBondContact O-N 2.73Å; V224-L226 VanDerWaalsContact C-N 3.33Å; V224-L226 PolarHBondContact O-N 2.91Å; L226-H228 PolarHBondContact O-N 2.93Å; L226-I229 PolarHBondContact O-N 3.12Å; L226-L230 HydrophobicContact CD1-CB 4.12Å; L226-L230 HydrophobicContact CD1-CD1 4.36Å; L226-L230 HydrophobicContact CG-CB 4.3Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 PolarHBondContact O-N 3.03Å
227S92.3Very high91.1Very high0 Ų037.5 Ų37.50%024%0.235CC..Hα-helixtrans-61.3-30.2179.470.80000113T223 V224 L225 P231T223-S227 PolarHBondContact O-N 3.27Å; V224-S227 PolarHBondContact O-N 2.61Å; V224-S227 PolarHBondContact O-OG 3.02Å; L225-S227 PolarHBondContact O-N 3.4Å; S227-P231 VanDerWaalsContact O-CD 3.32Å; S227-P231 WeakPolarHBondContact O-CD 3.46Å
228H91.5Very high91.3Very high0 Ų034.8 Ų34.80%022%0.216CC..Hα-helixtrans-80.1-29.3179.2-70.888.6000113.7V167 V224 L225 L226 F232 V385 I389V167-H228 WeakPolarHBondContact CG2-CE1 3.42Å; V224-H228 PolarHBondContact O-ND1 3.16Å; L225-H228 PolarHBondContact O-N 2.64Å; L226-H228 PolarHBondContact O-N 2.93Å; H228-F232 WeakPolarHBondContact O-CD2 3.44Å; H228-V385 HydrophobicContact CB-CG1 3.89Å; H228-I389 HydrophobicContact CB-CG2 4.27Å
229I92.9Very high91.3Very high33 Ų3331.2 Ų31.217%0.16919%0.191CC..Hα-helixtrans-95.5-41.5-175.7-69167.6000111.7L225 L226 P231 F232 A233 I389 W393L225-I229 PolarHBondContact O-N 3.29Å; L226-I229 PolarHBondContact O-N 3.12Å; I229-P231 VanDerWaalsContact C-CD 3.49Å; I229-F232 PolarHBondContact O-N 3.44Å; I229-A233 HydrophobicContact CG2-CB 3.93Å; I229-A233 PolarHBondContact O-N 3.26Å; I229-I389 HydrophobicContact CD1-CG2 3.91Å; I229-I389 HydrophobicContact CG1-CG2 3.92Å; I229-W393 HydrophobicContact CD1-CB 3.94Å; I229-W393 HydrophobicContact CD1-CG 3.94Å; I229-W393 HydrophobicContact CG1-CB 4.17Å; I229-W393 HydrophobicContact CG1-CD2 4.27Å; I229-W393 HydrophobicContact CG1-CG 3.98Å; I229-W393 HydrophobicContact CG2-CD2 3.72Å; I229-W393 VanDerWaalsContact CG2-CE2 3.42Å; I229-W393 HydrophobicContact CG2-CE3 4.45Å; I229-W393 HydrophobicContact CG2-CG 3.88Å; I229-W393 HydrophobicContact CG2-CZ2 3.94Å
230L94.3Very high90.8Very high55 Ų5533.5 Ų33.529%0.28821%0.206SC..Hα-helixtrans-54.7-43.6-167.9-174.665000114V128 L226 F232 A233 C234V128-L230 HydrophobicContact CG1-CB 4.39Å; V128-L230 HydrophobicContact CG1-CD2 3.94Å; L226-L230 HydrophobicContact CD1-CB 4.12Å; L226-L230 HydrophobicContact CD1-CD1 4.36Å; L226-L230 HydrophobicContact CG-CB 4.3Å; L226-L230 WeakPolarHBondContact O-CB 3.24Å; L226-L230 PolarHBondContact O-N 3.03Å; L230-F232 PolarHBondContact O-N 3.41Å; L230-A233 PolarHBondContact O-N 2.84Å; L230-C234 PolarHBondContact O-N 2.97Å
231P94.1Very high90Very high0 Ų035.4 Ų35.40%023%0.227CC..Hα-helixtrans-57.3-33.3176.4-23.933.2000113.9V120 D124 V125 V128 S227 I229 I235 C238V120-P231 HydrophobicContact CG2-CB 3.68Å; D124-P231 HydrophobicContact CB-CB 3.95Å; D124-P231 HydrophobicContact CB-CG 4.33Å; V125-P231 HydrophobicContact CB-CG 4.47Å; V125-P231 HydrophobicContact CG2-CG 3.97Å; V128-P231 HydrophobicContact CB-CG 4.34Å; V128-P231 HydrophobicContact CG2-CG 3.89Å; S227-P231 VanDerWaalsContact O-CD 3.32Å; S227-P231 WeakPolarHBondContact O-CD 3.46Å; I229-P231 VanDerWaalsContact C-CD 3.49Å; P231-I235 WeakPolarHBondContact O-CA 3.43Å; P231-I235 WeakPolarHBondContact O-CG1 3.41Å; P231-C238 HydrophobicContact CB-CB 4.27Å
232F94.9Very high89.2Confident0 Ų044.4 Ų44.40%027%0.265CS..Hα-helixtrans-92.5-23-178.6-57.2-81.6000112.7I95 V120 V125 H228 I229 L230 S320 L321 M390 W393I95-F232 HydrophobicContact CD1-CE1 3.98Å; I95-F232 HydrophobicContact CD1-CZ 4.05Å; I95-F232 HydrophobicContact CG1-CE1 4.4Å; I95-F232 HydrophobicContact CG2-CE1 3.99Å; I95-F232 HydrophobicContact CG2-CZ 3.7Å; V120-F232 HydrophobicContact CG1-CD1 3.98Å; V120-F232 HydrophobicContact CG1-CE1 4.06Å; V120-F232 HydrophobicContact CG2-CD1 4.32Å; V120-F232 HydrophobicContact CG2-CE1 4.2Å; V125-F232 HydrophobicContact CG2-CD2 4.41Å; V125-F232 HydrophobicContact CG2-CE2 3.52Å; V125-F232 HydrophobicContact CG2-CZ 4.22Å; H228-F232 WeakPolarHBondContact O-CD2 3.44Å; I229-F232 PolarHBondContact O-N 3.44Å; L230-F232 PolarHBondContact O-N 3.41Å; F232-S320 CarbonylContact O-C 3.48Å; F232-S320 VanDerWaalsContact O-CA 3.23Å; F232-S320 WeakPolarHBondContact O-CA 3.15Å; F232-S320 WeakPolarHBondContact O-CB 3.39Å; F232-L321 HydrophobicContact CB-CB 4.03Å; F232-L321 HydrophobicContact CB-CD2 4.39Å; F232-L321 HydrophobicContact CD1-CB 4.33Å; F232-L321 HydrophobicContact CD1-CD2 3.9Å; F232-L321 HydrophobicContact CG-CD2 4.4Å; F232-L321 PolarHBondContact O-N 3.14Å; F232-M390 HydrophobicContact CD2-CE 3.26Å; F232-M390 HydrophobicContact CD2-SD 4.42Å; F232-M390 HydrophobicContact CE2-CE 3.38Å; F232-M390 HydrophobicContact CG-CE 3.87Å; F232-M390 HydrophobicContact CZ-CE 4.12Å; F232-W393 HydrophobicContact CB-CH2 3.67Å; F232-W393 HydrophobicContact CB-CZ3 3.77Å
233A95.5Very high88.6Confident39 Ų3943.4 Ų43.432%0.32225%0.253SS..Hα-helixtrans-81.7-29.317600000112.8I229 L230 S320 W393I229-A233 HydrophobicContact CG2-CB 3.93Å; I229-A233 PolarHBondContact O-N 3.26Å; L230-A233 PolarHBondContact O-N 2.84Å; A233-S320 WeakPolarHBondContact O-CB 3.48Å; A233-W393 HydrophobicContact CB-CH2 4.35Å; A233-W393 HydrophobicContact CB-CZ2 3.64Å
234C94.2Very high87.9Confident35 Ų3542.5 Ų42.524%0.23625%0.248CC..  trans-145.778179.3-168.50000110.7L230 S236 S237 C238 E319L230-C234 PolarHBondContact O-N 2.97Å; C234-S236 VanDerWaalsContact C-N 3.32Å; C234-S236 PolarHBondContact O-N 3.45Å; C234-S237 PolarHBondContact O-N 3Å; C234-S237 VanDerWaalsContact SG-CB 3.51Å; C234-S237 PolarHBondContact SG-OG 3.25Å; C234-C238 PolarHBondContact O-N 2.97Å; C234-C238 PolarHBondContact O-SG 2.97Å; C234-C238 VanDerWaalsContact O-SG 3.34Å; C234-E319 CarbonylContact C-O 3.57Å; C234-E319 WeakPolarHBondContact CA-O 3.33Å
235I93.2Very high87.6Confident2 Ų246.5 Ų46.51%0.0128%0.275CS..Hα-helixtrans-60.1-44.2-174.8-62.4172.8000110.5L118 V120 P231 S237 C238 V239 E319L118-I235 HydrophobicContact CD1-CD1 3.98Å; V120-I235 HydrophobicContact CB-CG2 4.42Å; V120-I235 HydrophobicContact CG1-CD1 4.1Å; V120-I235 HydrophobicContact CG1-CG1 4.16Å; P231-I235 WeakPolarHBondContact O-CA 3.43Å; P231-I235 WeakPolarHBondContact O-CG1 3.41Å; I235-S237 PolarHBondContact O-N 2.94Å; I235-C238 PolarHBondContact O-N 3.26Å; I235-C238 VanDerWaalsContact O-N 3.15Å; I235-V239 HydrophobicContact CG2-CB 4.44Å; I235-V239 HydrophobicContact CG2-CG2 3.93Å; I235-V239 WeakPolarHBondContact O-CB 3.37Å; I235-V239 PolarHBondContact O-N 2.8Å; I235-E319 PolarHBondContact N-O 2.81Å
236S89.8Confident87.6Confident42 Ų4244.6 Ų44.629%0.29427%0.266SS..Hα-helixtrans-59.6-29.5-178.260.70000113.7C234 E319C234-S236 VanDerWaalsContact C-N 3.32Å; C234-S236 PolarHBondContact O-N 3.45Å; S236-E319 WeakPolarHBondContact CB-OE2 3.45Å; S236-E319 PolarHBondContact OG-OE2 3.31Å
237S88.8Confident87.6Confident95 Ų9543.6 Ų43.666%0.66426%0.263SS*.Hα-helixtrans-88.7-21.6179.4-64.70000113.7C234 I235C234-S237 PolarHBondContact O-N 3Å; C234-S237 VanDerWaalsContact SG-CB 3.51Å; C234-S237 PolarHBondContact SG-OG 3.25Å; I235-S237 PolarHBondContact O-N 2.94Å
238C87.1Confident87.6Confident28 Ų2845.3 Ų45.319%0.18927%0.27CS..Hα-helixtrans-101.5-25-175.1-59.10000113V128 P231 C234 I235V128-C238 HydrophobicContact CG2-CB 4.37Å; P231-C238 HydrophobicContact CB-CB 4.27Å; C234-C238 PolarHBondContact O-N 2.97Å; C234-C238 PolarHBondContact O-SG 2.97Å; C234-C238 VanDerWaalsContact O-SG 3.34Å; I235-C238 PolarHBondContact O-N 3.26Å; I235-C238 VanDerWaalsContact O-N 3.15Å
239V82.6Confident87.6Confident5 Ų545.8 Ų45.83%0.0327%0.272CS..SBendtrans-102.8137-179-179.20000109.5P119 V120 I235 S241 E243 V244P119-V239 HydrophobicContact CB-CG1 4.41Å; P119-V239 HydrophobicContact CG-CG1 4.36Å; P119-V239 WeakPolarHBondContact O-CG2 3.1Å; V120-V239 HydrophobicContact CB-CG2 4.14Å; V120-V239 HydrophobicContact CG2-CG2 4.36Å; I235-V239 HydrophobicContact CG2-CB 4.44Å; I235-V239 HydrophobicContact CG2-CG2 3.93Å; I235-V239 WeakPolarHBondContact O-CB 3.37Å; I235-V239 PolarHBondContact O-N 2.8Å; V239-S241 PolarHBondContact O-N 2.98Å; V239-E243 HydrophobicContact CG1-CB 4.15Å; V239-V244 HydrophobicContact CB-CG2 4.22Å; V239-V244 HydrophobicContact CG1-CG2 4.26Å
240P80.2Confident87.2Confident58 Ų5847.9 Ų47.938%0.37729%0.286SS..  trans-54.3132.3177-25.134000112.1K242 E243P240-K242 PolarHBondContact O-N 3.39Å; P240-E243 PolarHBondContact O-N 3.37Å
241S72.9Confident86.6Confident108 Ų10846 Ų4676%0.75528%0.277SS*.THydrogen-bonded Turntrans-52-28.1-172.459.90000115.6V239 E243V239-S241 PolarHBondContact O-N 2.98Å; S241-E243 PolarHBondContact O-N 3.14Å
242K73.9Confident85.8Confident200 Ų20047.4 Ų47.487%0.8729%0.287SS*.THydrogen-bonded Turntrans-68.7-10176.8-67-176179.4179.30114P240P240-K242 PolarHBondContact O-N 3.39Å
243E77.6Confident85Confident40 Ų4049.3 Ų49.319%0.18730%0.297CS..SBendtrans-128-3.2-166.3-63.4171.7-163.800113.5R2 Y3 P119 V239 P240 S241 C245R2-E243 IonicContact CZ-OE1 3.73Å; R2-E243 IonicContact CZ-OE2 2.68Å; R2-E243 IonicContact NE-OE1 2.93Å; R2-E243 IonicContact NE-OE2 2.75Å; R2-E243 IonicContact NH1-OE1 3.85Å; R2-E243 PolarHBondContact NH1-OE1 2.93Å; R2-E243 IonicContact NH1-OE2 3.54Å; R2-E243 IonicContact NH2-OE1 3.32Å; R2-E243 PolarHBondContact NH2-OE1 3.32Å; R2-E243 IonicContact NH2-OE2 3.85Å; R2-E243 PolarHBondContact NH2-OE2 3.37Å; Y3-E243 HydrophobicContact CE2-CB 4.3Å; Y3-E243 HydrophobicContact CE2-CG 4.47Å; Y3-E243 PolarHBondContact OH-OE2 3.31Å; P119-E243 WeakPolarHBondContact CB-O 3.44Å; P119-E243 WeakPolarHBondContact CG-O 3.4Å; V239-E243 HydrophobicContact CG1-CB 4.15Å; P240-E243 PolarHBondContact O-N 3.37Å; S241-E243 PolarHBondContact O-N 3.14Å; E243-C245 PolarHBondContact O-N 2.95Å; E243-C245 VanDerWaalsContact O-N 3.08Å
244V76.3Confident84.1Confident17 Ų1752.3 Ų52.310%0.10330%0.304CS..  trans-66.1-11.4-175.1-177.70000113.1V239 C246V239-V244 HydrophobicContact CB-CG2 4.22Å; V239-V244 HydrophobicContact CG1-CG2 4.26Å; V244-C246 PolarHBondContact O-N 2.97Å
245C85.7Confident83.4Confident83 Ų8351.6 Ų51.656%0.56130%0.3SS*.  trans-67.3132.4-178.1-64.60000112.9E243 N316E243-C245 PolarHBondContact O-N 2.95Å; E243-C245 VanDerWaalsContact O-N 3.08Å; C245-N316 CarbonylContact C-O 3.53Å; C245-N316 WeakPolarHBondContact CA-O 3.29Å
246C89.7Confident82.6Confident16 Ų1655.7 Ų55.711%0.10833%0.329CS..  trans-71.4144.1173.5-63.90000110.9I117 L118 V244 Y248 N316 F318I117-C246 WeakPolarHBondContact O-CA 3.06Å; L118-C246 VanDerWaalsContact CD2-SG 3.54Å; V244-C246 PolarHBondContact O-N 2.97Å; C246-Y248 HydrophobicContact CB-CE2 3.9Å; C246-N316 PolarHBondContact N-O 3.4Å; C246-F318 WeakPolarHBondContact SG-CD2 3.42Å
247T91.5Very high82.3Confident59 Ų5953.8 Ų53.836%0.36232%0.315SS..EExtended strand (participates in β ladder)trans-106132.8173.1-51.10000110F5 V50 I117F5-T247 HydrophobicContact CE2-CG2 4.18Å; F5-T247 HydrophobicContact CZ-CG2 4.36Å; V50-T247 HydrophobicContact CG1-CG2 4.07Å; I117-T247 PolarHBondContact N-O 3.03Å; I117-T247 PolarHBondContact O-N 3.45Å
248Y92.4Very high81.7Confident37 Ų3754.5 Ų54.515%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-112.7157.4178.9-63.2-89.9000110.6I116 C246 V250 K314 P315 W327I116-Y248 HydrophobicContact CB-CE1 4.36Å; I116-Y248 HydrophobicContact CG2-CD1 3.67Å; I116-Y248 HydrophobicContact CG2-CE1 3.29Å; C246-Y248 HydrophobicContact CB-CE2 3.9Å; Y248-V250 PolarHBondContact O-N 2.89Å; Y248-K314 HydrophobicContact CD1-CB 4.48Å; Y248-K314 HydrophobicContact CD1-CD 3.75Å; Y248-K314 HydrophobicContact CD1-CG 4.37Å; Y248-K314 HydrophobicContact CD2-CB 4.42Å; Y248-K314 HydrophobicContact CD2-CD 4.39Å; Y248-K314 HydrophobicContact CE1-CB 4.04Å; Y248-K314 HydrophobicContact CE1-CD 4.1Å; Y248-K314 HydrophobicContact CE1-CG 4.21Å; Y248-K314 HydrophobicContact CE2-CB 4.01Å; Y248-K314 HydrophobicContact CG-CD 3.9Å; Y248-P315 VanDerWaalsContact CE2-O 3.29Å; Y248-P315 WeakPolarHBondContact CE2-O 3.42Å; Y248-P315 WeakPolarHBondContact OH-CD 3.21Å; Y248-P315 PolarHBondContact OH-O 3.4Å; Y248-W327 AromaticContact CE1-CH2 3.75Å; Y248-W327 HydrophobicContact CE1-CH2 3.75Å; Y248-W327 AromaticContact CE1-CZ3 3.99Å; Y248-W327 HydrophobicContact CE1-CZ3 3.99Å
249Q91.7Very high81.4Confident10 Ų1055.6 Ų55.65%0.04732%0.321CS..PPolyproline II helixtrans-64.6125.9170.7-179.556.547.300109.7D49 V50 Y51 T112D49-Q249 PolarHBondContact O-OE1 3Å; V50-Q249 HydrophobicContact CG2-CB 4.31Å; Y51-Q249 PolarHBondContact O-OE1 3.42Å; T112-Q249 HydrophobicContact CG2-CB 4.09Å; T112-Q249 HydrophobicContact CG2-CG 3.91Å
250V84.5Confident81.4Confident76 Ų7655.8 Ų55.846%0.46132%0.322SS..PPolyproline II helixtrans-69.4128170.81790000107.8Y248 Q254Y248-V250 PolarHBondContact O-N 2.89Å; V250-Q254 HydrophobicContact CG1-CB 4.01Å
251P81.3Confident81.6Confident16 Ų1658.5 Ų58.510%0.10434%0.34CS..PPolyproline II helixtrans-64.3156.5179.9-2232.4000113.5L253 Q254 S255 E282P251-L253 PolarHBondContact O-N 2.88Å; P251-L253 VanDerWaalsContact O-N 3.15Å; P251-Q254 PolarHBondContact O-N 3.47Å; P251-Q254 VanDerWaalsContact O-N 3.08Å; P251-S255 PolarHBondContact O-OG 3.37Å; P251-E282 WeakPolarHBondContact CB-OE2 3.44Å; P251-E282 VanDerWaalsContact CG-OE2 3.26Å; P251-E282 WeakPolarHBondContact CG-OE2 3.34Å
252S78.1Confident82.2Confident30 Ų3058 Ų5821%0.2133%0.325CS..G310 helixtrans-63.4-28.7-170.8-57.80000114.7R53 Q254 S255 W469R53-S252 PolarHBondContact NH1-O 3.3Å; R53-S252 PolarHBondContact NH2-O 2.8Å; R53-S252 PolarHBondContact NH2-OG 3.48Å; S252-Q254 VanDerWaalsContact C-N 3.34Å; S252-S255 PolarHBondContact O-OG 3.38Å; S252-W469 WeakPolarHBondContact CB-OXT 3.36Å; S252-W469 PolarHBondContact OG-OXT 2.93Å
253L77.1Confident82.7Confident40 Ų4048.8 Ų48.821%0.20929%0.285CS..G310 helixtrans-78.7-17.2-179.4-73.4169000113.6P251 I267 T270 A271P251-L253 PolarHBondContact O-N 2.88Å; P251-L253 VanDerWaalsContact O-N 3.15Å; L253-I267 HydrophobicContact CD2-CB 4.48Å; L253-I267 HydrophobicContact CD2-CG2 4.06Å; L253-I267 WeakPolarHBondContact CD2-O 3.47Å; L253-T270 HydrophobicContact CD2-CG2 3.83Å; L253-T270 HydrophobicContact CG-CG2 4.34Å; L253-A271 HydrophobicContact CD2-CB 4.34Å
254Q77.1Confident83.2Confident101 Ų10153.1 Ų53.147%0.47231%0.309SS..G310 helixtrans-100.90.7-177.7-62.8-177.9-0.100112.3V250 P251 S252 E282V250-Q254 HydrophobicContact CG1-CB 4.01Å; P251-Q254 PolarHBondContact O-N 3.47Å; P251-Q254 VanDerWaalsContact O-N 3.08Å; S252-Q254 VanDerWaalsContact C-N 3.34Å; Q254-E282 PolarHBondContact NE2-O 3.49Å
255S79.2Confident83.7Confident20 Ų2057.2 Ų57.214%0.1433%0.328CS..  trans-116.4107.4-178.135.20000109.1R53 P251 S252R53-S255 PolarHBondContact NH1-O 2.93Å; R53-S255 PolarHBondContact NH1-OG 3.14Å; R53-S255 PolarHBondContact NH2-OG 2.95Å; P251-S255 PolarHBondContact O-OG 3.37Å; S252-S255 PolarHBondContact O-OG 3.38Å
256S77.5Confident83.7Confident88 Ų8856.9 Ų56.962%0.61532%0.316SS*.  trans-76.7151.1177.255.30000112D263S256-D263 VanDerWaalsContact CA-OD2 3.29Å; S256-D263 WeakPolarHBondContact CA-OD2 3.4Å
257E82.2Confident83.6Confident3 Ų357.9 Ų57.91%0.01432%0.32CS..  trans-12091.5179.7-63.8-168.9-17100110.7R53 D259 D260 D263 S458 R462 W469R53-E257 IonicContact CZ-OE1 2.8Å; R53-E257 IonicContact NE-OE1 3.05Å; R53-E257 IonicContact NH1-OE1 2.7Å; R53-E257 PolarHBondContact NH1-OE1 3Å; E257-D259 PolarHBondContact O-N 3.36Å; E257-D260 HydrophobicContact CB-CB 4.1Å; E257-D260 PolarHBondContact O-N 3.22Å; E257-D260 VanDerWaalsContact O-N 3.09Å; E257-D263 HydrophobicContact CB-CB 4.16Å; E257-D263 PolarHBondContact N-OD2 2.88Å; E257-S458 WeakPolarHBondContact OE2-CB 3.5Å; E257-S458 PolarHBondContact OE2-OG 2.72Å; E257-R462 IonicContact OE1-CZ 3.82Å; E257-R462 IonicContact OE1-NH1 2.77Å; E257-R462 IonicContact OE1-NH2 3.13Å; E257-R462 IonicContact OE2-CZ 2.82Å; E257-R462 IonicContact OE2-NH2 3.82Å; E257-R462 PolarHBondContact OE2-NH2 2.88Å; E257-R462 VanDerWaalsContact OE2-NH2 3.09Å; E257-W469 PolarHBondContact OE1-NE1 3.45Å
258P76.4Confident83.3Confident109 Ų10958.3 Ų58.371%0.70833%0.325SS*.THydrogen-bonded Turntrans-67.6-11.6-170.825.4-35.4000114.9
259D80.6Confident83.1Confident51 Ų5161.2 Ų61.227%0.27334%0.343SS..THydrogen-bonded Turntrans-98.5-8.3176.761.7-44.7000114.2R57 E257 P261 S458R57-D259 IonicContact CZ-OD1 3.48Å; R57-D259 IonicContact CZ-OD2 3.37Å; R57-D259 IonicContact NE-OD1 3.51Å; R57-D259 PolarHBondContact NE-OD1 3.04Å; R57-D259 IonicContact NE-OD2 3.35Å; R57-D259 PolarHBondContact NE-OD2 3.28Å; R57-D259 VanDerWaalsContact NE-OD2 3.13Å; R57-D259 IonicContact NH1-OD1 2.8Å; R57-D259 PolarHBondContact NH1-OD1 3.08Å; R57-D259 IonicContact NH1-OD2 2.74Å; R57-D259 IonicContact NH2-OD1 3.73Å; R57-D259 PolarHBondContact NH2-OD1 3.02Å; R57-D259 IonicContact NH2-OD2 3.49Å; R57-D259 PolarHBondContact NH2-OD2 2.77Å; E257-D259 PolarHBondContact O-N 3.36Å; D259-P261 WeakPolarHBondContact O-CD 3.49Å; D259-S458 WeakPolarHBondContact OD1-CB 3.34Å; D259-S458 PolarHBondContact OD1-OG 3.09Å; D259-S458 VanDerWaalsContact OD1-OG 3.06Å; D259-S458 WeakPolarHBondContact OD2-CB 3.34Å; D259-S458 PolarHBondContact OD2-N 2.74Å; D259-S458 PolarHBondContact OD2-OG 2.76Å
260D83.3Confident82.8Confident9 Ų962.7 Ų62.75%0.04835%0.352CS..  trans-97.4106.9174.5-177.31.1000109.2E257 F262 D263 R462E257-D260 HydrophobicContact CB-CB 4.1Å; E257-D260 PolarHBondContact O-N 3.22Å; E257-D260 VanDerWaalsContact O-N 3.09Å; D260-F262 PolarHBondContact O-N 3.15Å; D260-F262 WeakPolarHBondContact OD1-CB 3.29Å; D260-F262 PolarHBondContact OD1-N 3.01Å; D260-D263 HydrophobicContact CB-CB 4.19Å; D260-D263 WeakPolarHBondContact O-CB 3.1Å; D260-D263 PolarHBondContact O-N 3.12Å; D260-R462 IonicContact OD2-CZ 2.72Å; D260-R462 IonicContact OD2-NE 3.65Å; D260-R462 PolarHBondContact OD2-NE 3.21Å; D260-R462 IonicContact OD2-NH2 3.09Å; D260-R462 PolarHBondContact OD2-NH2 2.79Å
261P84Confident82.9Confident116 Ų11660 Ų6075%0.75334%0.338SS*.THydrogen-bonded Turntrans-64.8-8.1-179.927.7-34.8000113.3D259D259-P261 WeakPolarHBondContact O-CD 3.49Å
262F85.7Confident83.2Confident97 Ų9768 Ų6843%0.42537%0.366SS..THydrogen-bonded Turntrans-107.27.3177.8-56.2-74.5000113.3D260 D264 M265 Y266D260-F262 PolarHBondContact O-N 3.15Å; D260-F262 WeakPolarHBondContact OD1-CB 3.29Å; D260-F262 PolarHBondContact OD1-N 3.01Å; F262-D264 PolarHBondContact O-N 3.43Å; F262-M265 HydrophobicContact CB-CE 4.07Å; F262-M265 HydrophobicContact CD1-CE 3.62Å; F262-M265 HydrophobicContact CG-CE 4.2Å; F262-M265 WeakPolarHBondContact O-CB 3.37Å; F262-M265 PolarHBondContact O-N 2.95Å; F262-Y266 PolarHBondContact O-N 2.97Å
263D85.8Confident83.5Confident6 Ų670.2 Ų70.23%0.03237%0.373CS..Hα-helixtrans-59.8-47.4-174.7-169.552.9000112.8S256 E257 D260 M265 Y266 I267 R462S256-D263 VanDerWaalsContact CA-OD2 3.29Å; S256-D263 WeakPolarHBondContact CA-OD2 3.4Å; E257-D263 HydrophobicContact CB-CB 4.16Å; E257-D263 PolarHBondContact N-OD2 2.88Å; D260-D263 HydrophobicContact CB-CB 4.19Å; D260-D263 WeakPolarHBondContact O-CB 3.1Å; D260-D263 PolarHBondContact O-N 3.12Å; D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 3.49Å; D263-Y266 WeakPolarHBondContact O-CA 3.06Å; D263-Y266 WeakPolarHBondContact O-CB 3.3Å; D263-Y266 PolarHBondContact O-N 3.1Å; D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 3.22Å; D263-I267 WeakPolarHBondContact OD2-CD1 3.13Å; D263-R462 IonicContact OD1-CZ 2.9Å; D263-R462 IonicContact OD1-NH1 3.38Å; D263-R462 PolarHBondContact OD1-NH1 2.85Å; D263-R462 IonicContact OD1-NH2 3.08Å; D263-R462 PolarHBondContact OD1-NH2 3.44Å
264D86.6Confident83.7Confident132 Ų13271.1 Ų71.171%0.70637%0.374SS*.Hα-helixtrans-60-39.8177.8-69.3-29.6000112.2F262 S268F262-D264 PolarHBondContact O-N 3.43Å; D264-S268 WeakPolarHBondContact O-CB 3.47Å; D264-S268 PolarHBondContact O-N 2.89Å; D264-S268 PolarHBondContact O-OG 3.39Å
265M88Confident84Confident102 Ų10274.2 Ų74.250%0.50238%0.381SS..Hα-helixtrans-66.6-41.6175.5-175.2177.765.600110.8F262 D263 S268 L269F262-M265 HydrophobicContact CB-CE 4.07Å; F262-M265 HydrophobicContact CD1-CE 3.62Å; F262-M265 HydrophobicContact CG-CE 4.2Å; F262-M265 WeakPolarHBondContact O-CB 3.37Å; F262-M265 PolarHBondContact O-N 2.95Å; D263-M265 VanDerWaalsContact C-N 3.29Å; D263-M265 PolarHBondContact O-N 3.49Å; M265-S268 WeakPolarHBondContact CA-OG 3.38Å; M265-S268 PolarHBondContact O-OG 2.96Å; M265-L269 HydrophobicContact CG-CD1 3.9Å; M265-L269 HydrophobicContact CG-CG 4.37Å; M265-L269 WeakPolarHBondContact O-CB 3.48Å; M265-L269 WeakPolarHBondContact O-CG 3.42Å; M265-L269 PolarHBondContact O-N 3.33Å
266Y85.4Confident84.3Confident77 Ų7781.5 Ų81.530%0.30241%0.41SS..Hα-helixtrans-62.4-47.7175.5171.9-91.7000111.7F262 D263 S268 L269 T270 R462F262-Y266 PolarHBondContact O-N 2.97Å; D263-Y266 WeakPolarHBondContact O-CA 3.06Å; D263-Y266 WeakPolarHBondContact O-CB 3.3Å; D263-Y266 PolarHBondContact O-N 3.1Å; Y266-S268 PolarHBondContact O-N 3.01Å; Y266-L269 PolarHBondContact O-N 2.85Å; Y266-T270 WeakPolarHBondContact O-CB 3.32Å; Y266-T270 PolarHBondContact O-N 3.11Å; Y266-T270 PolarHBondContact O-OG1 2.78Å; Y266-R462 HydrophobicContact CE2-CG 4.38Å
267I86.4Confident84.3Confident37 Ų3785.5 Ų85.519%0.1941%0.412CS..Hα-helixtrans-59.9-48.1179.8-69.7169.9000109.8L253 D263 T270 A271L253-I267 HydrophobicContact CD2-CB 4.48Å; L253-I267 HydrophobicContact CD2-CG2 4.06Å; L253-I267 WeakPolarHBondContact CD2-O 3.47Å; D263-I267 WeakPolarHBondContact O-CG1 3.35Å; D263-I267 PolarHBondContact O-N 3.22Å; D263-I267 WeakPolarHBondContact OD2-CD1 3.13Å; I267-T270 PolarHBondContact O-N 2.75Å; I267-A271 VanDerWaalsContact O-CB 3.22Å; I267-A271 WeakPolarHBondContact O-CB 3.23Å; I267-A271 PolarHBondContact O-N 2.93Å
268S87Confident83.8Confident68 Ų6888.5 Ų88.548%0.47644%0.443SS..Hα-helixtrans-64.2-45.1-179.558.90000112.9D264 M265 Y266 A271 R272D264-S268 WeakPolarHBondContact O-CB 3.47Å; D264-S268 PolarHBondContact O-N 2.89Å; D264-S268 PolarHBondContact O-OG 3.39Å; M265-S268 WeakPolarHBondContact CA-OG 3.38Å; M265-S268 PolarHBondContact O-OG 2.96Å; Y266-S268 PolarHBondContact O-N 3.01Å; S268-A271 PolarHBondContact O-N 3.44Å; S268-R272 WeakPolarHBondContact O-CB 3.34Å; S268-R272 PolarHBondContact O-N 3.24Å
269L87.5Confident83.3Confident98 Ų9886.4 Ų86.451%0.51343%0.426SS..Hα-helixtrans-64.5-42.9176.8-71.1175.1000111.9M265 Y266 R272 E273M265-L269 HydrophobicContact CG-CD1 3.9Å; M265-L269 HydrophobicContact CG-CG 4.37Å; M265-L269 WeakPolarHBondContact O-CB 3.48Å; M265-L269 WeakPolarHBondContact O-CG 3.42Å; M265-L269 PolarHBondContact O-N 3.33Å; Y266-L269 PolarHBondContact O-N 2.85Å; L269-R272 PolarHBondContact O-N 2.92Å; L269-E273 PolarHBondContact O-N 3.26Å
270T85.5Confident82.4Confident40 Ų4087 Ų8725%0.24543%0.432CS..Hα-helixtrans-66.9-42.4179.1-57.80000111.2L253 Y266 I267 R272 E273 R274L253-T270 HydrophobicContact CD2-CG2 3.83Å; L253-T270 HydrophobicContact CG-CG2 4.34Å; Y266-T270 WeakPolarHBondContact O-CB 3.32Å; Y266-T270 PolarHBondContact O-N 3.11Å; Y266-T270 PolarHBondContact O-OG1 2.78Å; I267-T270 PolarHBondContact O-N 2.75Å; T270-R272 VanDerWaalsContact C-N 3.33Å; T270-R272 PolarHBondContact O-N 2.99Å; T270-E273 PolarHBondContact O-N 3.16Å; T270-R274 WeakPolarHBondContact O-CG 3.46Å; T270-R274 PolarHBondContact O-N 3.44Å
271A85.8Confident81Confident19 Ų1990.2 Ų90.216%0.15745%0.45CS..Hα-helixtrans-62.2-41174.500000111.6L253 I267 S268 R274 R275L253-A271 HydrophobicContact CD2-CB 4.34Å; I267-A271 VanDerWaalsContact O-CB 3.22Å; I267-A271 WeakPolarHBondContact O-CB 3.23Å; I267-A271 PolarHBondContact O-N 2.93Å; S268-A271 PolarHBondContact O-N 3.44Å; A271-R274 PolarHBondContact O-N 2.55Å; A271-R275 WeakPolarHBondContact O-CG 3.46Å; A271-R275 PolarHBondContact O-N 2.84Å; A271-R275 VanDerWaalsContact O-N 3.12Å
272R88Confident79.6Confident186 Ų18687.1 Ų87.170%0.70243%0.425SS*.Hα-helixtrans-62.6-45.6175.4-176.7-179.9-179.4176.61.9111.8S268 L269 T270 R275 K276S268-R272 WeakPolarHBondContact O-CB 3.34Å; S268-R272 PolarHBondContact O-N 3.24Å; L269-R272 PolarHBondContact O-N 2.92Å; T270-R272 VanDerWaalsContact C-N 3.33Å; T270-R272 PolarHBondContact O-N 2.99Å; R272-R275 PolarHBondContact O-N 2.99Å; R272-K276 PolarHBondContact O-N 3.34Å
273E83.9Confident77.8Confident76 Ų7689.8 Ų89.836%0.35544%0.439SS..Hα-helixtrans-65.1-39179.8-17660.1-163.400111.8L269 T270 K276 R277L269-E273 PolarHBondContact O-N 3.26Å; T270-E273 PolarHBondContact O-N 3.16Å; E273-K276 WeakPolarHBondContact O-CB 3.27Å; E273-K276 PolarHBondContact O-N 3.45Å; E273-R277 WeakPolarHBondContact O-CG 3.47Å; E273-R277 PolarHBondContact O-N 3.47Å; E273-R277 IonicContact OE1-CZ 2.64Å; E273-R277 VanDerWaalsContact OE1-CZ 3.29Å; E273-R277 IonicContact OE1-NE 3.96Å; E273-R277 PolarHBondContact OE1-NE 2.94Å; E273-R277 IonicContact OE1-NH2 3.62Å; E273-R277 PolarHBondContact OE1-NH2 3.39Å
274R82.8Confident75.5Confident58 Ų5898.6 Ų98.622%0.21948%0.48CS..Hα-helixtrans-62.2-44.1174-75.1-17872.4107.6-10.2112.8T270 A271 K276 R277 G278 L279 P280 E282T270-R274 WeakPolarHBondContact O-CG 3.46Å; T270-R274 PolarHBondContact O-N 3.44Å; A271-R274 PolarHBondContact O-N 2.55Å; R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3.38Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 PolarHBondContact O-N 3.15Å; R274-R277 VanDerWaalsContact O-N 3.16Å; R274-G278 PolarHBondContact O-N 2.59Å; R274-G278 VanDerWaalsContact O-N 3.16Å; R274-L279 HydrophobicContact CB-CB 4.3Å; R274-L279 PolarHBondContact O-N 3.49Å; R274-P280 PolarHBondContact NH2-O 2.98Å; R274-E282 IonicContact NH2-OE1 2.63Å; R274-E282 PolarHBondContact NH2-OE1 3.41Å
275R81.6Confident73Confident166 Ų16697.6 Ų97.663%0.62648%0.483SS*.Hα-helixtrans-59.6-42.8175.5-70.2178.3-148.5166.35.9111.1A271 R272 R277 G278A271-R275 WeakPolarHBondContact O-CG 3.46Å; A271-R275 PolarHBondContact O-N 2.84Å; A271-R275 VanDerWaalsContact O-N 3.12Å; R272-R275 PolarHBondContact O-N 2.99Å; R275-R277 VanDerWaalsContact C-N 3.27Å; R275-R277 PolarHBondContact O-N 3.38Å; R275-G278 PolarHBondContact O-N 3.48Å; R275-G278 VanDerWaalsContact O-N 3.1Å
276K85.3Confident70.3Confident173 Ų17398.5 Ų98.575%0.75249%0.494SS*.Hα-helixtrans-61.3-35.4177-173.2-177.4175.6-171.50112.5R272 E273 R274 G278R272-K276 PolarHBondContact O-N 3.34Å; E273-K276 WeakPolarHBondContact O-CB 3.27Å; E273-K276 PolarHBondContact O-N 3.45Å; R274-K276 VanDerWaalsContact C-N 3.29Å; R274-K276 PolarHBondContact O-N 3.38Å; K276-G278 VanDerWaalsContact C-N 3.31Å
277R79.2Confident67.9Low173 Ų173101.7 Ų101.765%0.65352%0.515SS*.THydrogen-bonded Turntrans-83.8-0177.2-65.6-179.8-170.9-171.71.4114.1E273 R274 R275 L279E273-R277 WeakPolarHBondContact O-CG 3.47Å; E273-R277 PolarHBondContact O-N 3.47Å; E273-R277 IonicContact OE1-CZ 2.64Å; E273-R277 VanDerWaalsContact OE1-CZ 3.29Å; E273-R277 IonicContact OE1-NE 3.96Å; E273-R277 PolarHBondContact OE1-NE 2.94Å; E273-R277 IonicContact OE1-NH2 3.62Å; E273-R277 PolarHBondContact OE1-NH2 3.39Å; R274-R277 CarbonylContact O-C 3.58Å; R274-R277 PolarHBondContact O-N 3.15Å; R274-R277 VanDerWaalsContact O-N 3.16Å; R275-R277 VanDerWaalsContact C-N 3.27Å; R275-R277 PolarHBondContact O-N 3.38Å; R277-L279 HydrophobicContact CB-CD1 3.38Å; R277-L279 HydrophobicContact CG-CD1 4.42Å; R277-L279 PolarHBondContact O-N 3.25Å
278G70.1Confident65.4Low65 Ų65107.3 Ų107.367%0.6755%0.545SS*.THydrogen-bonded Turntrans65.919.5-176.500000114R274 R275 K276R274-G278 PolarHBondContact O-N 2.59Å; R274-G278 VanDerWaalsContact O-N 3.16Å; R275-G278 PolarHBondContact O-N 3.48Å; R275-G278 VanDerWaalsContact O-N 3.1Å; K276-G278 VanDerWaalsContact C-N 3.31Å
279L67Low62.8Low66 Ų66108.8 Ų108.835%0.34655%0.553SS.*PPolyproline II helixtrans-70.8140.5173.4-85.690.2000109.6R274 R277 N281R274-L279 HydrophobicContact CB-CB 4.3Å; R274-L279 PolarHBondContact O-N 3.49Å; R277-L279 HydrophobicContact CB-CD1 3.38Å; R277-L279 HydrophobicContact CG-CD1 4.42Å; R277-L279 PolarHBondContact O-N 3.25Å; L279-N281 PolarHBondContact O-N 2.73Å
280P60.6Low60.1Low63 Ų63110.5 Ų110.541%0.40956%0.563SS.*PPolyproline II helixtrans-56.3135.6177.720.3-29.9000110.7R274 E282 L311R274-P280 PolarHBondContact NH2-O 2.98Å; P280-E282 PolarHBondContact O-N 2.93Å; P280-L311 HydrophobicContact CB-CD1 4.1Å; P280-L311 HydrophobicContact CG-CD1 3.97Å; P280-L311 HydrophobicContact CG-CG 4.35Å
281N55.5Low57.4Low77 Ų77115.4 Ų115.441%0.41259%0.587SS.*PPolyproline II helixtrans-67.7128.3167.2-73.9-27.5000107.8L279 H283L279-N281 PolarHBondContact O-N 2.73Å; N281-H283 VanDerWaalsContact C-N 3.26Å; N281-H283 WeakPolarHBondContact CB-CE1 3.33Å; N281-H283 VanDerWaalsContact CB-ND1 3.33Å; N281-H283 WeakPolarHBondContact CB-ND1 3.48Å; N281-H283 PolarHBondContact ND2-CE1 3.12Å; N281-H283 PolarHBondContact O-N 3.3Å
282E54.2Low55Low50 Ų50124.2 Ų124.223%0.23463%0.625CS.*  trans-74.784.1171.3-68.9166.1179.500108P251 Q254 R274 P280P251-E282 WeakPolarHBondContact CB-OE2 3.44Å; P251-E282 VanDerWaalsContact CG-OE2 3.26Å; P251-E282 WeakPolarHBondContact CG-OE2 3.34Å; Q254-E282 PolarHBondContact NE2-O 3.49Å; R274-E282 IonicContact NH2-OE1 2.63Å; R274-E282 PolarHBondContact NH2-OE1 3.41Å; P280-E282 PolarHBondContact O-N 2.93Å
283H46.8Very low52.2Low153 Ų153123.8 Ų123.871%0.70863%0.631SS**  trans-82.2129.4-179.8-82.611.4000112.2N281 S285N281-H283 VanDerWaalsContact C-N 3.26Å; N281-H283 WeakPolarHBondContact CB-CE1 3.33Å; N281-H283 VanDerWaalsContact CB-ND1 3.33Å; N281-H283 WeakPolarHBondContact CB-ND1 3.48Å; N281-H283 PolarHBondContact ND2-CE1 3.12Å; N281-H283 PolarHBondContact O-N 3.3Å; H283-S285 PolarHBondContact O-N 3.27Å
284Q38.5Very low49.7Very low192 Ų192127 Ų12790%0.89765%0.65SS**  trans-22.4112168.1-71.1165.6-800115.3
285S33.3Very low47.4Very low110 Ų110133.4 Ų133.477%0.76968%0.682SS**  trans-100.8113.6153.143.60000109.7H283H283-S285 PolarHBondContact O-N 3.27Å
286T32.7Very low44.8Very low122 Ų122131.7 Ų131.775%0.74869%0.69SS**SBendtrans89.199.1152.739.60000123.4
287I34.2Very low42.5Very low143 Ų143133 Ų13373%0.73370%0.699SS**  98.390.2126.7-54.6163.5000121.3
288L33.3Very low40.3Very low156 Ų156132.3 Ų132.382%0.81771%0.707SS**  57159.5126.2-61.5174.6000123.8
289P34Very low38.4Very low99 Ų99136.2 Ų136.264%0.64371%0.712SS**  cis-142.7178.8-40.140.3-22.5000115.5
290N29.5Very low37Very low134 Ų134138.5 Ų138.572%0.71773%0.729SS**  trans106113.2149.8-71.6-8.8000120.2
291N28.5Very low35.5Very low142 Ų142141.5 Ų141.576%0.75975%0.746SS**  trans58.8108.4136.2-63.6-10000118.2
292E35.8Very low34.6Very low204 Ų204146.5 Ų146.595%0.95377%0.767SS**  -160.9150.5119.4-106163.8-168.400111.7
293Q29.3Very low33.3Very low177 Ų177153.2 Ų153.283%0.82780%0.798SS**  trans-89.1148.9-160.9-87.4175.6-29.800113.4
294L31.9Very low32.9Very low143 Ų143151.9 Ų151.975%0.74980%0.801SS**  trans61123.9149.8-82.5103000119.7
295E33.9Very low32.6Very low193 Ų193146.7 Ų146.790%0.90279%0.79SS**  -164.5133.396.2-97.2175.5-171.400110.8
296T28.3Very low32.5Very low130 Ų130147.1 Ų147.180%0.79879%0.791SS**  trans-91.8126.7177.136.30000110.4
297E35.6Very low32.7Very low200 Ų200148 Ų14894%0.93580%0.796SS**  trans-123.9135.6149.5-85-167.3158.300110.7
298I32.6Very low32.6Very low159 Ų159145.7 Ų145.782%0.81579%0.792SS**  trans-84.9128.9-171.1-63.8157.2000108.1
299D31.2Very low32.7Very low147 Ų147144.9 Ų144.979%0.78679%0.789SS**  -163.2140.6129.7-129.4-6.8000117
300V37.5Very low33Very low115 Ų115145.9 Ų145.970%0.69780%0.795SS**  trans43.2111.9163.1-151.90000120.9
301T29.2Very low34Very low125 Ų125142.9 Ų142.977%0.76778%0.779SS**  trans-49.8123.2162.136.90000114.9
302E36.3Very low35.4Very low183 Ų183139.7 Ų139.786%0.85577%0.766SS**  trans-135.6100.9145.2-144.4175-158.400107.9V304E302-V304 PolarHBondContact O-N 2.99Å
303Q27.4Very low37Very low190 Ų190138.9 Ų138.989%0.88876%0.762SS**  trans-76.8104.7177.4-79.7175.8-14.100109.2
304V37.1Very low39.7Very low126 Ų126133.5 Ų133.576%0.76474%0.736SS**  trans-115.4120.5161.1-176.60000107.7E302E302-V304 PolarHBondContact O-N 2.99Å
305A32.5Very low42.4Very low82 Ų82128.5 Ų128.568%0.67871%0.712SS**  trans-59.8147.4-17400000112.7V307A305-V307 PolarHBondContact O-N 2.95Å
306P32.5Very low45.1Very low119 Ų119125.5 Ų125.577%0.77370%0.702SS**  trans-75.5120.7-177.230.5-30.8000110.1S308P306-S308 VanDerWaalsContact C-N 3.29Å; P306-S308 PolarHBondContact O-N 3.11Å
307V36.8Very low48.2Very low141 Ų141121.6 Ų121.686%0.85568%0.68SS**  trans-75.488.6164.7-178.50000107.1A305 N309A305-V307 PolarHBondContact O-N 2.95Å; V307-N309 PolarHBondContact O-N 3.15Å
308S31.3Very low51Low95 Ų95112.3 Ų112.366%0.66464%0.637SS**  trans-8685.5177.658.60000110.7P306P306-S308 VanDerWaalsContact C-N 3.29Å; P306-S308 PolarHBondContact O-N 3.11Å
309N36.5Very low53.9Low139 Ų139109.3 Ų109.374%0.74362%0.619SS**  trans-99.6106.5151-85.3-6.9000106.8V307 L311V307-N309 PolarHBondContact O-N 3.15Å; N309-L311 PolarHBondContact O-N 2.88Å
310P38.8Very low57Low120 Ų120103.4 Ų103.478%0.77959%0.589SS**PPolyproline II helixtrans-62126.2175.718.2-19.4000108.3
311L51.6Low59.8Low70 Ų7097.9 Ų97.937%0.36656%0.556SS.*PPolyproline II helixtrans-50.4138.3167.2-79.8152.4000108.2P280 N309 Q313 L335P280-L311 HydrophobicContact CB-CD1 4.1Å; P280-L311 HydrophobicContact CG-CD1 3.97Å; P280-L311 HydrophobicContact CG-CG 4.35Å; N309-L311 PolarHBondContact O-N 2.88Å; L311-Q313 PolarHBondContact O-N 2.95Å; L311-L335 HydrophobicContact CD2-CD2 4.25Å
312P57.4Low63Low75 Ų7592 Ų9249%0.48752%0.52SS..PPolyproline II helixtrans-53.2128.4176.4-21.931.9000109.3K314P312-K314 PolarHBondContact O-N 2.92Å
313Q69.2Low65.8Low187 Ų18787.3 Ų87.387%0.87450%0.498SS*.PPolyproline II helixtrans-56.8128176.2-75.5-178.6-13.700109.1L311 P315L311-Q313 PolarHBondContact O-N 2.95Å; Q313-P315 WeakPolarHBondContact O-CD 3.47Å
314K85.1Confident69.1Low65 Ų6578.3 Ų78.328%0.28346%0.456SS..PPolyproline II helixtrans-63.6125.6177.7-69.3-178.8177.1177.90108.8E113 Y248 P312 N316 W327E113-K314 IonicContact OE1-NZ 2.85Å; E113-K314 WeakPolarHBondContact OE2-CE 3.48Å; E113-K314 IonicContact OE2-NZ 3.63Å; E113-K314 PolarHBondContact OE2-NZ 3.34Å; Y248-K314 HydrophobicContact CD1-CB 4.48Å; Y248-K314 HydrophobicContact CD1-CD 3.75Å; Y248-K314 HydrophobicContact CD1-CG 4.37Å; Y248-K314 HydrophobicContact CD2-CB 4.42Å; Y248-K314 HydrophobicContact CD2-CD 4.39Å; Y248-K314 HydrophobicContact CE1-CB 4.04Å; Y248-K314 HydrophobicContact CE1-CD 4.1Å; Y248-K314 HydrophobicContact CE1-CG 4.21Å; Y248-K314 HydrophobicContact CE2-CB 4.01Å; Y248-K314 HydrophobicContact CG-CD 3.9Å; P312-K314 PolarHBondContact O-N 2.92Å; K314-N316 PolarHBondContact O-N 2.92Å; K314-W327 HydrophobicContact CG-CH2 4.36Å; K314-W327 HydrophobicContact CG-CZ2 4.32Å
315P90.3Very high72Confident37 Ų3772.3 Ų72.324%0.2442%0.419CS..PPolyproline II helixtrans-58.5137.5177.7-25.635000111.6Y248 Q313 S317 F318Y248-P315 VanDerWaalsContact CE2-O 3.29Å; Y248-P315 WeakPolarHBondContact CE2-O 3.42Å; Y248-P315 WeakPolarHBondContact OH-CD 3.21Å; Y248-P315 PolarHBondContact OH-O 3.4Å; Q313-P315 WeakPolarHBondContact O-CD 3.47Å; P315-S317 VanDerWaalsContact C-N 3.28Å; P315-S317 PolarHBondContact O-N 3.31Å; P315-F318 HydrophobicContact CB-CE1 4.09Å; P315-F318 HydrophobicContact CB-CE2 4.44Å; P315-F318 HydrophobicContact CB-CZ 3.99Å; P315-F318 HydrophobicContact CG-CE1 3.84Å; P315-F318 HydrophobicContact CG-CZ 3.79Å
316N90.7Very high75Confident131 Ų13169.9 Ų69.970%0.70139%0.393SS*.SBendtrans-69.1-31.6176.3-70.7-21.7000111.9C245 C246 K314C245-N316 CarbonylContact C-O 3.53Å; C245-N316 WeakPolarHBondContact CA-O 3.29Å; C246-N316 PolarHBondContact N-O 3.4Å; K314-N316 PolarHBondContact O-N 2.92Å
317S92.6Very high78Confident48 Ų4865.9 Ų65.934%0.33636%0.362SS..  trans-148.4161.1179.655.30000110.2P315P315-S317 VanDerWaalsContact C-N 3.28Å; P315-S317 PolarHBondContact O-N 3.31Å
318F94Very high80.8Confident4 Ų459.2 Ų59.22%0.01832%0.322CS..  trans-117.9142167.2-66.2-81.1000108.5I116 L118 C246 P315 S320 E323 A324 W327I116-F318 HydrophobicContact CD1-CD2 4.36Å; I116-F318 HydrophobicContact CD1-CE2 3.88Å; I116-F318 HydrophobicContact CD1-CZ 4.43Å; L118-F318 HydrophobicContact CD2-CB 4.3Å; L118-F318 HydrophobicContact CD2-CD2 3.65Å; L118-F318 HydrophobicContact CD2-CE2 4.48Å; L118-F318 HydrophobicContact CD2-CG 4.38Å; C246-F318 WeakPolarHBondContact SG-CD2 3.42Å; P315-F318 HydrophobicContact CB-CE1 4.09Å; P315-F318 HydrophobicContact CB-CE2 4.44Å; P315-F318 HydrophobicContact CB-CZ 3.99Å; P315-F318 HydrophobicContact CG-CE1 3.84Å; P315-F318 HydrophobicContact CG-CZ 3.79Å; F318-S320 VanDerWaalsContact C-N 3.3Å; F318-E323 HydrophobicContact CD1-CB 4.45Å; F318-E323 HydrophobicContact CD1-CG 3.98Å; F318-A324 HydrophobicContact CB-CB 3.95Å; F318-A324 HydrophobicContact CD1-CB 3.99Å; F318-A324 HydrophobicContact CD2-CB 3.71Å; F318-A324 HydrophobicContact CE1-CB 4.43Å; F318-A324 HydrophobicContact CE2-CB 4.2Å; F318-A324 HydrophobicContact CG-CB 3.6Å; F318-W327 HydrophobicContact CE1-CB 3.6Å; F318-W327 HydrophobicContact CE1-CD2 4.18Å; F318-W327 AromaticContact CE1-CG 3.7Å; F318-W327 HydrophobicContact CE1-CG 3.7Å; F318-W327 HydrophobicContact CZ-CB 3.96Å; F318-W327 AromaticContact CZ-CD2 3.71Å; F318-W327 HydrophobicContact CZ-CD2 3.71Å; F318-W327 AromaticContact CZ-CE3 3.88Å; F318-W327 HydrophobicContact CZ-CE3 3.88Å; F318-W327 AromaticContact CZ-CG 3.75Å; F318-W327 HydrophobicContact CZ-CG 3.75Å
319E93.3Very high83.9Confident97 Ų9754.7 Ų54.745%0.45329%0.29SS..SBendtrans-73.7-29.3176.6-72.5-60.4145.800111C234 I235 S236 E323C234-E319 CarbonylContact C-O 3.57Å; C234-E319 WeakPolarHBondContact CA-O 3.33Å; I235-E319 PolarHBondContact N-O 2.81Å; S236-E319 WeakPolarHBondContact CB-OE2 3.45Å; S236-E319 PolarHBondContact OG-OE2 3.31Å; E319-E323 PolarHBondContact N-OE2 2.91Å
320S96Very high86.6Confident22 Ų2250.3 Ų50.315%0.15427%0.267CS..SBendtrans-145.6157.2-177.273.80000113.4F232 A233 F318 E323 A324F232-S320 CarbonylContact O-C 3.48Å; F232-S320 VanDerWaalsContact O-CA 3.23Å; F232-S320 WeakPolarHBondContact O-CA 3.15Å; F232-S320 WeakPolarHBondContact O-CB 3.39Å; A233-S320 WeakPolarHBondContact O-CB 3.48Å; F318-S320 VanDerWaalsContact C-N 3.3Å; S320-E323 PolarHBondContact O-N 2.63Å; S320-E323 WeakPolarHBondContact OG-CB 3.4Å; S320-E323 PolarHBondContact OG-N 2.92Å; S320-A324 PolarHBondContact O-N 2.64Å
321L96.6Very high89.1Confident0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-60.2-45.2172.9174.564000112.7I93 I95 T100 V102 L118 F232 E323 A324 V325 L394I93-L321 HydrophobicContact CG2-CD1 4.19Å; I93-L321 HydrophobicContact CG2-CD2 4.34Å; I95-L321 HydrophobicContact CD1-CD2 4.42Å; T100-L321 HydrophobicContact CG2-CD1 3.89Å; V102-L321 HydrophobicContact CG2-CD1 3.94Å; L118-L321 HydrophobicContact CD1-CB 4.41Å; L118-L321 HydrophobicContact CD1-CD1 3.65Å; F232-L321 HydrophobicContact CB-CB 4.03Å; F232-L321 HydrophobicContact CB-CD2 4.39Å; F232-L321 HydrophobicContact CD1-CB 4.33Å; F232-L321 HydrophobicContact CD1-CD2 3.9Å; F232-L321 HydrophobicContact CG-CD2 4.4Å; F232-L321 PolarHBondContact O-N 3.14Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 2.93Å; L321-A324 WeakPolarHBondContact O-CB 3.48Å; L321-A324 PolarHBondContact O-N 3.5Å; L321-A324 VanDerWaalsContact O-N 3.16Å; L321-V325 HydrophobicContact CD1-CG2 3.89Å; L321-V325 HydrophobicContact CG-CG2 4.24Å; L321-V325 VanDerWaalsContact O-CG2 3.29Å; L321-V325 WeakPolarHBondContact O-CG2 3.4Å; L321-V325 PolarHBondContact O-N 3.1Å; L321-L394 HydrophobicContact CD2-CD2 4.35Å; L321-L394 HydrophobicContact CG-CD1 4.49Å
322P97.2Very high91.1Very high1 Ų142.1 Ų42.11%0.00622%0.216CC..Hα-helixtrans-55.6-39.5175.3-24.529.9000113.8V325 W326 W393 L394 Q397 L398 I401P322-V325 PolarHBondContact O-N 2.78Å; P322-W326 WeakPolarHBondContact O-CB 3.49Å; P322-W326 PolarHBondContact O-N 2.86Å; P322-W393 HydrophobicContact CG-CH2 3.75Å; P322-W393 HydrophobicContact CG-CZ2 3.94Å; P322-W393 HydrophobicContact CG-CZ3 4.36Å; P322-L394 HydrophobicContact CB-CD1 4.07Å; P322-L394 HydrophobicContact CG-CD1 3.67Å; P322-Q397 HydrophobicContact CB-CB 3.83Å; P322-Q397 HydrophobicContact CG-CB 3.56Å; P322-Q397 HydrophobicContact CG-CG 4.02Å; P322-L398 HydrophobicContact CB-CD2 4.19Å; P322-L398 HydrophobicContact CB-CG 4.48Å; P322-L398 WeakPolarHBondContact O-CD2 3.38Å; P322-I401 HydrophobicContact CB-CD1 3.53Å
323E95.8Very high92.7Very high85 Ų8538.6 Ų38.640%0.39719%0.193SC..Hα-helixtrans-63.6-45.3176.5-173.2-169.7-177.900111.4F318 E319 S320 L321 W326 W327F318-E323 HydrophobicContact CD1-CB 4.45Å; F318-E323 HydrophobicContact CD1-CG 3.98Å; E319-E323 PolarHBondContact N-OE2 2.91Å; S320-E323 PolarHBondContact O-N 2.63Å; S320-E323 WeakPolarHBondContact OG-CB 3.4Å; S320-E323 PolarHBondContact OG-N 2.92Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 2.93Å; E323-W326 PolarHBondContact O-N 3.08Å; E323-W327 WeakPolarHBondContact O-CB 3.46Å; E323-W327 PolarHBondContact O-N 2.86Å
324A96.7Very high93.6Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-62.3-43.617800000112.1I116 L118 F318 S320 L321 W327 S328I116-A324 HydrophobicContact CD1-CB 3.62Å; L118-A324 HydrophobicContact CD1-CB 3.8Å; L118-A324 HydrophobicContact CD2-CB 3.95Å; L118-A324 HydrophobicContact CG-CB 4.38Å; F318-A324 HydrophobicContact CB-CB 3.95Å; F318-A324 HydrophobicContact CD1-CB 3.99Å; F318-A324 HydrophobicContact CD2-CB 3.71Å; F318-A324 HydrophobicContact CE1-CB 4.43Å; F318-A324 HydrophobicContact CE2-CB 4.2Å; F318-A324 HydrophobicContact CG-CB 3.6Å; S320-A324 PolarHBondContact O-N 2.64Å; L321-A324 WeakPolarHBondContact O-CB 3.48Å; L321-A324 PolarHBondContact O-N 3.5Å; L321-A324 VanDerWaalsContact O-N 3.16Å; A324-W327 PolarHBondContact O-N 2.53Å; A324-S328 PolarHBondContact O-N 2.74Å; A324-S328 PolarHBondContact O-OG 3.46Å
325V97.4Very high93.5Very high0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-63.2-47.7176.1172.30000111.2I93 V102 L321 P322 W327 S328 I329 I375 L398I93-V325 HydrophobicContact CD1-CG1 4.32Å; I93-V325 HydrophobicContact CD1-CG2 3.42Å; I93-V325 VanDerWaalsContact CD1-CG2 3.42Å; I93-V325 HydrophobicContact CG1-CG2 3.95Å; V102-V325 HydrophobicContact CG1-CG2 4.13Å; V102-V325 HydrophobicContact CG2-CG2 4.08Å; L321-V325 HydrophobicContact CD1-CG2 3.89Å; L321-V325 HydrophobicContact CG-CG2 4.24Å; L321-V325 VanDerWaalsContact O-CG2 3.29Å; L321-V325 WeakPolarHBondContact O-CG2 3.4Å; L321-V325 PolarHBondContact O-N 3.1Å; P322-V325 PolarHBondContact O-N 2.78Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 2.92Å; V325-S328 PolarHBondContact O-N 3.03Å; V325-I329 HydrophobicContact CG1-CD1 3.92Å; V325-I329 WeakPolarHBondContact O-CG1 3.26Å; V325-I329 PolarHBondContact O-N 2.83Å; V325-I375 HydrophobicContact CG1-CD1 4.29Å; V325-L398 HydrophobicContact CB-CD2 4.13Å; V325-L398 HydrophobicContact CG1-CD1 4.02Å; V325-L398 HydrophobicContact CG1-CD2 3.92Å
326W95.7Very high93.1Very high32 Ų3230.9 Ų30.912%0.12116%0.16CC..Hα-helixtrans-58.9-44.2176.1176-97.6000111.8P322 E323 I329 N330 L372 I401 A402 K405P322-W326 WeakPolarHBondContact O-CB 3.49Å; P322-W326 PolarHBondContact O-N 2.86Å; E323-W326 PolarHBondContact O-N 3.08Å; W326-I329 PolarHBondContact O-N 3.21Å; W326-N330 VanDerWaalsContact O-CB 3.31Å; W326-N330 WeakPolarHBondContact O-CB 3.18Å; W326-N330 PolarHBondContact O-N 3.28Å; W326-L372 HydrophobicContact CE3-CD2 4.37Å; W326-L372 HydrophobicContact CZ3-CD1 4.03Å; W326-L372 HydrophobicContact CZ3-CD2 4.35Å; W326-I401 HydrophobicContact CB-CG2 3.95Å; W326-I401 HydrophobicContact CD2-CG2 3.6Å; W326-I401 HydrophobicContact CE3-CG2 3.95Å; W326-I401 HydrophobicContact CG-CG2 3.56Å; W326-A402 HydrophobicContact CE3-CB 4.47Å; W326-A402 HydrophobicContact CH2-CB 4.27Å; W326-A402 HydrophobicContact CZ3-CB 3.69Å; W326-K405 HydrophobicContact CH2-CB 4.11Å; W326-K405 HydrophobicContact CZ2-CB 3.48Å; W326-K405 VanDerWaalsContact CZ2-CB 3.48Å; W326-K405 HydrophobicContact CZ2-CG 3.81Å
327W95.3Very high92.3Very high35 Ų3524.9 Ų24.913%0.13313%0.129CC..Hα-helixtrans-59.2-51.4176.7-178.893.5000111.2E113 I116 Y248 K314 F318 E323 A324 V325 I329 N330 Q331E113-W327 WeakPolarHBondContact O-CH2 3.48Å; I116-W327 HydrophobicContact CG2-CE3 4.17Å; I116-W327 HydrophobicContact CG2-CH2 4.49Å; I116-W327 HydrophobicContact CG2-CZ3 3.63Å; Y248-W327 AromaticContact CE1-CH2 3.75Å; Y248-W327 HydrophobicContact CE1-CH2 3.75Å; Y248-W327 AromaticContact CE1-CZ3 3.99Å; Y248-W327 HydrophobicContact CE1-CZ3 3.99Å; K314-W327 HydrophobicContact CG-CH2 4.36Å; K314-W327 HydrophobicContact CG-CZ2 4.32Å; F318-W327 HydrophobicContact CE1-CB 3.6Å; F318-W327 HydrophobicContact CE1-CD2 4.18Å; F318-W327 AromaticContact CE1-CG 3.7Å; F318-W327 HydrophobicContact CE1-CG 3.7Å; F318-W327 HydrophobicContact CZ-CB 3.96Å; F318-W327 AromaticContact CZ-CD2 3.71Å; F318-W327 HydrophobicContact CZ-CD2 3.71Å; F318-W327 AromaticContact CZ-CE3 3.88Å; F318-W327 HydrophobicContact CZ-CE3 3.88Å; F318-W327 AromaticContact CZ-CG 3.75Å; F318-W327 HydrophobicContact CZ-CG 3.75Å; E323-W327 WeakPolarHBondContact O-CB 3.46Å; E323-W327 PolarHBondContact O-N 2.86Å; A324-W327 PolarHBondContact O-N 2.53Å; V325-W327 VanDerWaalsContact C-N 3.31Å; V325-W327 PolarHBondContact O-N 2.92Å; W327-I329 PolarHBondContact O-N 3.37Å; W327-N330 PolarHBondContact O-N 2.84Å; W327-Q331 HydrophobicContact CD2-CG 3.78Å; W327-Q331 HydrophobicContact CE3-CG 4.06Å; W327-Q331 HydrophobicContact CG-CG 4.4Å; W327-Q331 HydrophobicContact CH2-CG 3.9Å; W327-Q331 HydrophobicContact CZ2-CG 3.65Å; W327-Q331 HydrophobicContact CZ3-CG 4.1Å; W327-Q331 VanDerWaalsContact O-CG 3.28Å; W327-Q331 WeakPolarHBondContact O-CG 3.36Å; W327-Q331 PolarHBondContact O-N 3.27Å
328S95.8Very high91.2Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-59.1-44.6-179.9-72.30000112.4T114 A324 V325 Q331 C332T114-S328 WeakPolarHBondContact O-CB 3.22Å; T114-S328 PolarHBondContact O-OG 3.18Å; A324-S328 PolarHBondContact O-N 2.74Å; A324-S328 PolarHBondContact O-OG 3.46Å; V325-S328 PolarHBondContact O-N 3.03Å; S328-Q331 PolarHBondContact O-N 3.19Å; S328-C332 WeakPolarHBondContact O-CB 3.27Å; S328-C332 PolarHBondContact O-N 3.03Å
329I95.4Very high89.8Confident0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-62.3-45.7177.6-70.8176000111C91 V325 W326 W327 C332 A333 R368 L371 L372 I375C91-I329 HydrophobicContact CB-CD1 3.91Å; C91-I329 HydrophobicContact CB-CG1 3.88Å; V325-I329 HydrophobicContact CG1-CD1 3.92Å; V325-I329 WeakPolarHBondContact O-CG1 3.26Å; V325-I329 PolarHBondContact O-N 2.83Å; W326-I329 PolarHBondContact O-N 3.21Å; W327-I329 PolarHBondContact O-N 3.37Å; I329-C332 WeakPolarHBondContact O-CB 3.39Å; I329-C332 PolarHBondContact O-N 3.43Å; I329-A333 WeakPolarHBondContact O-CB 3.39Å; I329-A333 PolarHBondContact O-N 3.27Å; I329-R368 HydrophobicContact CG2-CG 3.8Å; I329-L371 HydrophobicContact CD1-CB 4.28Å; I329-L371 HydrophobicContact CG1-CB 4.06Å; I329-L371 HydrophobicContact CG2-CB 3.88Å; I329-L371 HydrophobicContact CG2-CD1 4.15Å; I329-L372 HydrophobicContact CD1-CD2 3.8Å; I329-L372 HydrophobicContact CD1-CG 4.27Å; I329-L372 HydrophobicContact CG2-CG 4.34Å; I329-I375 HydrophobicContact CD1-CD1 4.26Å
330N93Very high88Confident47 Ų4734 Ų3425%0.25118%0.183SC..Hα-helixtrans-67.6-37.6-179.2-170.254.1000112.1W326 W327 A333 N334 R368W326-N330 VanDerWaalsContact O-CB 3.31Å; W326-N330 WeakPolarHBondContact O-CB 3.18Å; W326-N330 PolarHBondContact O-N 3.28Å; W327-N330 PolarHBondContact O-N 2.84Å; N330-A333 PolarHBondContact O-N 2.76Å; N330-N334 PolarHBondContact ND2-ND2 2.97Å; N330-N334 WeakPolarHBondContact O-CB 3.43Å; N330-N334 PolarHBondContact O-N 3.19Å; N330-N334 PolarHBondContact O-ND2 3Å; N330-N334 VanDerWaalsContact O-ND2 3.08Å; N330-N334 PolarHBondContact OD1-ND2 2.69Å; N330-R368 PolarHBondContact OD1-NE 2.78Å; N330-R368 PolarHBondContact OD1-NH2 3.02Å
331Q92Very high85.5Confident19 Ų1935.2 Ų35.29%0.08920%0.198CC..Hα-helixtrans-62.7-44.8173.7-68.4-61.92.900111.6W327 S328 A333 N334 L335W327-Q331 HydrophobicContact CD2-CG 3.78Å; W327-Q331 HydrophobicContact CE3-CG 4.06Å; W327-Q331 HydrophobicContact CG-CG 4.4Å; W327-Q331 HydrophobicContact CH2-CG 3.9Å; W327-Q331 HydrophobicContact CZ2-CG 3.65Å; W327-Q331 HydrophobicContact CZ3-CG 4.1Å; W327-Q331 VanDerWaalsContact O-CG 3.28Å; W327-Q331 WeakPolarHBondContact O-CG 3.36Å; W327-Q331 PolarHBondContact O-N 3.27Å; S328-Q331 PolarHBondContact O-N 3.19Å; Q331-A333 PolarHBondContact O-N 3.23Å; Q331-N334 PolarHBondContact O-N 3.24Å; Q331-L335 WeakPolarHBondContact O-CB 3.38Å; Q331-L335 WeakPolarHBondContact O-CD1 3.33Å; Q331-L335 VanDerWaalsContact O-CG 3.24Å; Q331-L335 WeakPolarHBondContact O-CG 3.29Å; Q331-L335 PolarHBondContact O-N 2.71Å
332C92.9Very high82.8Confident0 Ų041.4 Ų41.40%024%0.239CC..Hα-helixtrans-56.1-52.6176.4-160.60000111.4C104 H111 T114 S328 I329 N334 L335 V336 L371C104-C332 HydrophobicContact CB-CB 3.78Å; C104-C332 VanDerWaalsContact CB-SG 3.52Å; H111-C332 PolarHBondContact CD2-SG 2.92Å; T114-C332 HydrophobicContact CG2-CB 3.61Å; S328-C332 WeakPolarHBondContact O-CB 3.27Å; S328-C332 PolarHBondContact O-N 3.03Å; I329-C332 WeakPolarHBondContact O-CB 3.39Å; I329-C332 PolarHBondContact O-N 3.43Å; C332-N334 VanDerWaalsContact C-N 3.35Å; C332-N334 PolarHBondContact O-N 3.38Å; C332-L335 PolarHBondContact O-N 3.18Å; C332-V336 WeakPolarHBondContact O-CG2 3.42Å; C332-V336 PolarHBondContact O-N 3.32Å; C332-V336 VanDerWaalsContact O-N 3.14Å; C332-L371 HydrophobicContact CB-CD1 3.75Å
333A91Very high79.9Confident0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-57.1-44.8179.900000112.7I329 N330 Q331 G337 S364 R368I329-A333 WeakPolarHBondContact O-CB 3.39Å; I329-A333 PolarHBondContact O-N 3.27Å; N330-A333 PolarHBondContact O-N 2.76Å; Q331-A333 PolarHBondContact O-N 3.23Å; A333-G337 PolarHBondContact O-N 3.5Å; A333-S364 WeakPolarHBondContact CB-O 3.49Å; A333-S364 WeakPolarHBondContact O-CA 3.39Å; A333-S364 VanDerWaalsContact O-CB 3.28Å; A333-S364 WeakPolarHBondContact O-CB 3.45Å; A333-S364 PolarHBondContact O-OG 2.85Å; A333-R368 HydrophobicContact CB-CB 3.9Å
334N88Confident76.9Confident61 Ų6152.2 Ų52.233%0.32630%0.298SS..Hα-helixtrans-73.9-33.5-176.9-66.1-21.8000113.2N330 Q331 C332 S338 S364 R368N330-N334 PolarHBondContact ND2-ND2 2.97Å; N330-N334 WeakPolarHBondContact O-CB 3.43Å; N330-N334 PolarHBondContact O-N 3.19Å; N330-N334 PolarHBondContact O-ND2 3Å; N330-N334 VanDerWaalsContact O-ND2 3.08Å; N330-N334 PolarHBondContact OD1-ND2 2.69Å; Q331-N334 PolarHBondContact O-N 3.24Å; C332-N334 VanDerWaalsContact C-N 3.35Å; C332-N334 PolarHBondContact O-N 3.38Å; N334-S338 WeakPolarHBondContact O-CB 3.39Å; N334-S338 PolarHBondContact O-N 3.4Å; N334-S338 VanDerWaalsContact O-N 3.12Å; N334-S338 PolarHBondContact O-OG 3.3Å; N334-S364 PolarHBondContact OD1-OG 2.95Å; N334-R368 PolarHBondContact OD1-NH2 3.43Å
335L84.8Confident73.9Confident39 Ų3957.8 Ų57.820%0.20433%0.332CS..Hα-helixtrans-67.9-47.3176.3-73.3166.4000111.3E113 L311 Q331 C332 G337 S338 Q339E113-L335 HydrophobicContact CB-CD1 3.33Å; E113-L335 HydrophobicContact CG-CD1 3.65Å; L311-L335 HydrophobicContact CD2-CD2 4.25Å; Q331-L335 WeakPolarHBondContact O-CB 3.38Å; Q331-L335 WeakPolarHBondContact O-CD1 3.33Å; Q331-L335 VanDerWaalsContact O-CG 3.24Å; Q331-L335 WeakPolarHBondContact O-CG 3.29Å; Q331-L335 PolarHBondContact O-N 2.71Å; C332-L335 PolarHBondContact O-N 3.18Å; L335-G337 VanDerWaalsContact C-N 3.34Å; L335-S338 PolarHBondContact O-N 3.2Å; L335-S338 VanDerWaalsContact O-N 3.15Å; L335-Q339 PolarHBondContact O-N 3.11Å
336V80.5Confident70.9Confident27 Ų2764.2 Ų64.216%0.16437%0.371CS..Hα-helixtrans-65.2-40.9177.6176.30000110.7C332 S338 Q339 V363 L367C332-V336 WeakPolarHBondContact O-CG2 3.42Å; C332-V336 PolarHBondContact O-N 3.32Å; C332-V336 VanDerWaalsContact O-N 3.14Å; V336-S338 PolarHBondContact O-N 2.9Å; V336-Q339 PolarHBondContact O-N 2.91Å; V336-V363 HydrophobicContact CG1-CG1 4.26Å; V336-L367 HydrophobicContact CB-CD2 3.71Å; V336-L367 HydrophobicContact CG1-CD2 4.1Å; V336-L367 HydrophobicContact CG2-CD2 3.54Å
337G74.4Confident68.1Low5 Ų570.5 Ų70.55%0.05240%0.401CS..Hα-helixtrans-60.5-27.8174.300000114.1A333 L335 S360A333-G337 PolarHBondContact O-N 3.5Å; L335-G337 VanDerWaalsContact C-N 3.34Å; G337-S360 WeakPolarHBondContact O-CB 3.24Å
338S69.8Low65.3Low98 Ų9873 Ų7369%0.68543%0.43SS*.Hα-helixtrans-83.6-22.4179.2-60.40000113.8N334 L335 V336 V340N334-S338 WeakPolarHBondContact O-CB 3.39Å; N334-S338 PolarHBondContact O-N 3.4Å; N334-S338 VanDerWaalsContact O-N 3.12Å; N334-S338 PolarHBondContact O-OG 3.3Å; L335-S338 PolarHBondContact O-N 3.2Å; L335-S338 VanDerWaalsContact O-N 3.15Å; V336-S338 PolarHBondContact O-N 2.9Å; S338-V340 VanDerWaalsContact C-N 3.34Å
339Q64.4Low62.7Low156 Ų15678.8 Ų78.873%0.72947%0.47SS*.Hα-helixtrans-78.8-17.4179.6-69.6-173.714.700113.3L335 V336 G341L335-Q339 PolarHBondContact O-N 3.11Å; V336-Q339 PolarHBondContact O-N 2.91Å; Q339-G341 VanDerWaalsContact C-N 3.3Å; Q339-G341 PolarHBondContact O-N 3.25Å
340V54.8Low60Low88 Ų8882 Ų8253%0.53350%0.504SS..  trans-79.879.6173.1-170.80000109.1S338S338-V340 VanDerWaalsContact C-N 3.34Å
341G43.8Very low57.3Low46 Ų4688.4 Ų88.447%0.47454%0.537SS..  trans-66.8157.1168.800000111.4Q339 E343Q339-G341 VanDerWaalsContact C-N 3.3Å; Q339-G341 PolarHBondContact O-N 3.25Å; G341-E343 PolarHBondContact O-N 2.68Å
342P39.3Very low54.9Low130 Ų13091.5 Ų91.584%0.84457%0.566SS**  trans-69.499.1174.728.7-30.7000108.7V344P342-V344 PolarHBondContact O-N 3.49Å; P342-V344 VanDerWaalsContact O-N 3.11Å
343E37.1Very low52.2Low184 Ų18498.3 Ų98.386%0.8661%0.61SS**  trans-61.7115.8165.4-84.6-167154.800108.8G341 T345G341-E343 PolarHBondContact O-N 2.68Å; E343-T345 PolarHBondContact O-N 2.95Å
344V33.7Very low49.7Very low130 Ų130101.7 Ų101.779%0.78865%0.645SS**  trans-62.199.4172.9176.40000108.2P342 V346P342-V344 PolarHBondContact O-N 3.49Å; P342-V344 VanDerWaalsContact O-N 3.11Å; V344-V346 PolarHBondContact O-N 2.84Å; V344-V346 VanDerWaalsContact O-N 3.15Å
345T32.5Very low47.4Very low117 Ų117107.6 Ų107.672%0.71867%0.668SS**  trans-72.6103.7171.8-41.50000109.1E343 Q347E343-T345 PolarHBondContact O-N 2.95Å; T345-Q347 HydrophobicContact CG2-CG 4.3Å; T345-Q347 PolarHBondContact O-N 2.95Å; T345-Q347 VanDerWaalsContact O-N 3.1Å
346V35.7Very low44.9Very low134 Ų134112.2 Ų112.281%0.81270%0.7SS**  trans-72.298165.1178.60000107.6V344 A348V344-V346 PolarHBondContact O-N 2.84Å; V344-V346 VanDerWaalsContact O-N 3.15Å; V346-A348 PolarHBondContact O-N 3.3Å
347Q35.4Very low43Very low164 Ų164115 Ų11577%0.76672%0.721SS**  trans-76.2117.5174.6-78.9-176.9-23.900111T345T345-Q347 HydrophobicContact CG2-CG 4.3Å; T345-Q347 PolarHBondContact O-N 2.95Å; T345-Q347 VanDerWaalsContact O-N 3.1Å
348A37.4Very low41.7Very low88 Ų88124 Ų12473%0.72776%0.762SS**  trans-96.6124.215500000108.8V346V346-A348 PolarHBondContact O-N 3.3Å
349S40.7Very low41Very low121 Ų121122.1 Ų122.185%0.84675%0.749SS**SBendtrans65.1108.116656.30000119.6
350G38.2Very low40.9Very low69 Ų69117.5 Ų117.571%0.71173%0.733SS**  97.7104.5127.800000118.4
351L37.4Very low41.7Very low180 Ų180118.3 Ų118.394%0.94274%0.735SS**SBendtrans83.2111.5158.9-67.2103.8000119.3
352A40.8Very low43.4Very low85 Ų85118.5 Ų118.570%0.70273%0.729SS**  trans83.2120.3159.900000118.6G354A352-G354 PolarHBondContact O-N 3.12Å; A352-G354 VanDerWaalsContact O-N 3.13Å
353P36.7Very low45.5Very low142 Ų142115 Ų11592%0.92271%0.705SS**  trans-79.296173.632.2-29000109.4
354G39.3Very low47.9Very low72 Ų72106.6 Ų106.674%0.74267%0.666SS**  trans-107.591.8-179.700000113.3A352A352-G354 PolarHBondContact O-N 3.12Å; A352-G354 VanDerWaalsContact O-N 3.13Å
355K38.4Very low50.4Low185 Ų185102.7 Ų102.780%0.80464%0.641SS**  trans38.8108.2159.9-66.7-177.4-180179.20119.5S357K355-S357 PolarHBondContact O-N 2.98Å
356P33.2Very low53Low135 Ų135101.2 Ų101.288%0.87763%0.626SS**  trans-87.688.9165.234.3-25.6000109.5
357S41Very low55.7Low86 Ų8695.2 Ų95.260%0.60159%0.589SS**  trans-172.539.9174.152.80000116.1K355 S359K355-S357 PolarHBondContact O-N 2.98Å; S357-S359 PolarHBondContact O-N 3.5Å
358Q45.4Very low58.4Low194 Ų19489 Ų8991%0.90756%0.559SS**  trans-72.485.3152.1-83.2-172.1-4.500106.7
359S56.4Low61Low59 Ų5990.1 Ų90.141%0.41354%0.544SS..  trans-66.1142.9-170.951.90000110.4S357 N361 S362S357-S359 PolarHBondContact O-N 3.5Å; S359-N361 PolarHBondContact O-N 2.88Å; S359-S362 WeakPolarHBondContact O-CB 3.42Å; S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 2.91Å
360S61.6Low63.5Low58 Ų5889.2 Ų89.241%0.40652%0.522SS..Hα-helixtrans-39.6-31.9171.446.70000114.5G337 S362 V363 S364G337-S360 WeakPolarHBondContact O-CB 3.24Å; S360-S362 VanDerWaalsContact C-N 3.33Å; S360-S362 PolarHBondContact O-N 2.93Å; S360-V363 PolarHBondContact O-N 2.9Å; S360-S364 PolarHBondContact O-N 3.05Å; S360-S364 VanDerWaalsContact O-N 3.17Å
361N72.2Confident66.2Low106 Ų10685.9 Ų85.957%0.56749%0.488SS*.Hα-helixtrans-59.3-38.3175.4-67.9-3.3000113.1S359 V363 S364 D365S359-N361 PolarHBondContact O-N 2.88Å; N361-V363 PolarHBondContact O-N 3.18Å; N361-S364 PolarHBondContact O-N 3.12Å; N361-D365 WeakPolarHBondContact O-CB 3.2Å; N361-D365 PolarHBondContact O-N 3.3Å
362S79.4Confident68.9Low50 Ų5077.4 Ų77.435%0.3544%0.444SS..Hα-helixtrans-65.5-38.7-17963.10000113S359 S360 E366S359-S362 WeakPolarHBondContact O-CB 3.42Å; S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 2.91Å; S360-S362 VanDerWaalsContact C-N 3.33Å; S360-S362 PolarHBondContact O-N 2.93Å; S362-E366 WeakPolarHBondContact O-CB 3.34Å; S362-E366 PolarHBondContact O-N 2.89Å
363V84.2Confident71.5Confident56 Ų5673.8 Ų73.834%0.33942%0.415SS..Hα-helixtrans-70.2-45.4177.2179.80000110.4V336 S360 N361 D365 E366 L367V336-V363 HydrophobicContact CG1-CG1 4.26Å; S360-V363 PolarHBondContact O-N 2.9Å; N361-V363 PolarHBondContact O-N 3.18Å; V363-D365 VanDerWaalsContact C-N 3.33Å; V363-D365 PolarHBondContact O-N 2.8Å; V363-E366 PolarHBondContact O-N 2.8Å; V363-L367 PolarHBondContact O-N 3.01Å
364S86Confident74.2Confident7 Ų768.4 Ų68.45%0.04938%0.38CS..Hα-helixtrans-57.3-46.3174.2173.70000111.3A333 N334 S360 N361 E366 L367 R368A333-S364 WeakPolarHBondContact CB-O 3.49Å; A333-S364 WeakPolarHBondContact O-CA 3.39Å; A333-S364 VanDerWaalsContact O-CB 3.28Å; A333-S364 WeakPolarHBondContact O-CB 3.45Å; A333-S364 PolarHBondContact O-OG 2.85Å; N334-S364 PolarHBondContact OD1-OG 2.95Å; S360-S364 PolarHBondContact O-N 3.05Å; S360-S364 VanDerWaalsContact O-N 3.17Å; N361-S364 PolarHBondContact O-N 3.12Å; S364-E366 PolarHBondContact O-N 3.42Å; S364-L367 PolarHBondContact O-N 3.24Å; S364-R368 WeakPolarHBondContact O-CB 3.46Å; S364-R368 PolarHBondContact O-N 3.47Å; S364-R368 PolarHBondContact OG-NH2 2.8Å
365D85.9Confident77Confident49 Ų4965 Ų6526%0.26235%0.345SS..Hα-helixtrans-65.1-37.4179.4-69.3-18000112.9N361 V363 R368 R369N361-D365 WeakPolarHBondContact O-CB 3.2Å; N361-D365 PolarHBondContact O-N 3.3Å; V363-D365 VanDerWaalsContact C-N 3.33Å; V363-D365 PolarHBondContact O-N 2.8Å; D365-R368 IonicContact OD1-CZ 2.66Å; D365-R368 IonicContact OD1-NH1 3Å; D365-R368 PolarHBondContact OD1-NH1 2.86Å; D365-R368 IonicContact OD1-NH2 3.77Å; D365-R369 WeakPolarHBondContact O-CG 2.96Å; D365-R369 PolarHBondContact O-N 3.3Å
366E88.7Confident79.6Confident86 Ų8656.1 Ų56.140%0.40231%0.307SS..Hα-helixtrans-67.7-47.1176.6-176.956-151.300112.1S362 V363 S364 R368 R369 R370S362-E366 WeakPolarHBondContact O-CB 3.34Å; S362-E366 PolarHBondContact O-N 2.89Å; V363-E366 PolarHBondContact O-N 2.8Å; S364-E366 PolarHBondContact O-N 3.42Å; E366-R368 VanDerWaalsContact C-N 3.31Å; E366-R368 PolarHBondContact O-N 3.22Å; E366-R369 PolarHBondContact O-N 2.8Å; E366-R369 IonicContact OE2-CZ 2.65Å; E366-R369 IonicContact OE2-NE 3.18Å; E366-R369 PolarHBondContact OE2-NE 3.12Å; E366-R369 IonicContact OE2-NH2 2.67Å; E366-R369 PolarHBondContact OE2-NH2 3.17Å; E366-R370 WeakPolarHBondContact O-CG 3.13Å; E366-R370 PolarHBondContact O-N 2.73Å
367L91.1Very high82.5Confident7 Ų750 Ų504%0.03727%0.266CS..Hα-helixtrans-62.3-40.6176.4-17956.9000111.3T89 V336 V363 S364 R369 R370 L371T89-L367 HydrophobicContact CG2-CD1 3.83Å; V336-L367 HydrophobicContact CB-CD2 3.71Å; V336-L367 HydrophobicContact CG1-CD2 4.1Å; V336-L367 HydrophobicContact CG2-CD2 3.54Å; V363-L367 PolarHBondContact O-N 3.01Å; S364-L367 PolarHBondContact O-N 3.24Å; L367-R369 PolarHBondContact O-N 2.71Å; L367-R370 PolarHBondContact O-N 2.75Å; L367-L371 HydrophobicContact CD1-CD1 4.08Å; L367-L371 HydrophobicContact CD1-CG 4.05Å; L367-L371 HydrophobicContact CG-CD1 3.93Å; L367-L371 HydrophobicContact CG-CG 4.37Å; L367-L371 WeakPolarHBondContact O-CB 3.34Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 3.13Å
368R92.8Very high84.9Confident34 Ų3446.3 Ų46.313%0.12824%0.24CC..Hα-helixtrans-59-45.5175.2-164.9-177.8-59.195.86.4111.7I329 N330 A333 N334 S364 D365 E366 L371 L372I329-R368 HydrophobicContact CG2-CG 3.8Å; N330-R368 PolarHBondContact OD1-NE 2.78Å; N330-R368 PolarHBondContact OD1-NH2 3.02Å; A333-R368 HydrophobicContact CB-CB 3.9Å; N334-R368 PolarHBondContact OD1-NH2 3.43Å; S364-R368 WeakPolarHBondContact O-CB 3.46Å; S364-R368 PolarHBondContact O-N 3.47Å; S364-R368 PolarHBondContact OG-NH2 2.8Å; D365-R368 IonicContact OD1-CZ 2.66Å; D365-R368 IonicContact OD1-NH1 3Å; D365-R368 PolarHBondContact OD1-NH1 2.86Å; D365-R368 IonicContact OD1-NH2 3.77Å; E366-R368 VanDerWaalsContact C-N 3.31Å; E366-R368 PolarHBondContact O-N 3.22Å; R368-L371 PolarHBondContact O-N 3.21Å; R368-L372 HydrophobicContact CG-CD1 4.18Å; R368-L372 WeakPolarHBondContact O-CB 3.33Å; R368-L372 WeakPolarHBondContact O-CG 3.48Å; R368-L372 PolarHBondContact O-N 3.49Å
369R91.3Very high86.9Confident112 Ų11237.5 Ų37.542%0.42320%0.201SC..Hα-helixtrans-60.9-46.4176.2-78.6-172.2-65.6-92.32.8111.6D365 E366 L367 L372 G373D365-R369 WeakPolarHBondContact O-CG 2.96Å; D365-R369 PolarHBondContact O-N 3.3Å; E366-R369 PolarHBondContact O-N 2.8Å; E366-R369 IonicContact OE2-CZ 2.65Å; E366-R369 IonicContact OE2-NE 3.18Å; E366-R369 PolarHBondContact OE2-NE 3.12Å; E366-R369 IonicContact OE2-NH2 2.67Å; E366-R369 PolarHBondContact OE2-NH2 3.17Å; L367-R369 PolarHBondContact O-N 2.71Å; R369-L372 PolarHBondContact O-N 3.45Å; R369-G373 PolarHBondContact O-N 2.9Å
370R92.8Very high88Confident101 Ų10137.1 Ų37.138%0.38121%0.207SC..Hα-helixtrans-60.8-45178.1-72.8174.662.3-179.6-2112.2T89 E366 L367 G373 C374T89-R370 PolarHBondContact OG1-NH2 3.32Å; E366-R370 WeakPolarHBondContact O-CG 3.13Å; E366-R370 PolarHBondContact O-N 2.73Å; L367-R370 PolarHBondContact O-N 2.75Å; R370-G373 CarbonylContact O-C 3.57Å; R370-G373 PolarHBondContact O-N 2.82Å; R370-C374 WeakPolarHBondContact O-CB 3.2Å; R370-C374 PolarHBondContact O-N 3.36Å; R370-C374 VanDerWaalsContact O-N 3.11Å
371L95.4Very high88.8Confident0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-66.9-38.6178.7-71.3169.9000112.7T89 A90 C104 I329 C332 L367 R368 C374 I375T89-L371 HydrophobicContact CG2-CD2 3.78Å; T89-L371 HydrophobicContact CG2-CG 4.28Å; A90-L371 VanDerWaalsContact C-CD2 3.48Å; C104-L371 HydrophobicContact CB-CD1 4.24Å; C104-L371 HydrophobicContact CB-CD2 4.12Å; I329-L371 HydrophobicContact CD1-CB 4.28Å; I329-L371 HydrophobicContact CG1-CB 4.06Å; I329-L371 HydrophobicContact CG2-CB 3.88Å; I329-L371 HydrophobicContact CG2-CD1 4.15Å; C332-L371 HydrophobicContact CB-CD1 3.75Å; L367-L371 HydrophobicContact CD1-CD1 4.08Å; L367-L371 HydrophobicContact CD1-CG 4.05Å; L367-L371 HydrophobicContact CG-CD1 3.93Å; L367-L371 HydrophobicContact CG-CG 4.37Å; L367-L371 WeakPolarHBondContact O-CB 3.34Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 3.13Å; R368-L371 PolarHBondContact O-N 3.21Å; L371-C374 CarbonylContact O-C 3.6Å; L371-C374 PolarHBondContact O-N 3.06Å; L371-I375 WeakPolarHBondContact O-CG1 3.14Å
372L94.9Very high89Confident1 Ų129.5 Ų29.51%0.00516%0.162CC..Hα-helixtrans-67.2-36.9174.1-73.3168.1000112W326 I329 R368 R369 C374 P416 T417 V418 E419W326-L372 HydrophobicContact CE3-CD2 4.37Å; W326-L372 HydrophobicContact CZ3-CD1 4.03Å; W326-L372 HydrophobicContact CZ3-CD2 4.35Å; I329-L372 HydrophobicContact CD1-CD2 3.8Å; I329-L372 HydrophobicContact CD1-CG 4.27Å; I329-L372 HydrophobicContact CG2-CG 4.34Å; R368-L372 HydrophobicContact CG-CD1 4.18Å; R368-L372 WeakPolarHBondContact O-CB 3.33Å; R368-L372 WeakPolarHBondContact O-CG 3.48Å; R368-L372 PolarHBondContact O-N 3.49Å; R369-L372 PolarHBondContact O-N 3.45Å; L372-C374 PolarHBondContact O-N 3.37Å; L372-P416 HydrophobicContact CD1-CB 3.8Å; L372-P416 HydrophobicContact CD1-CG 3.96Å; L372-T417 CarbonylContact C-O 3.33Å; L372-V418 HydrophobicContact CD2-CG2 4.37Å; L372-V418 WeakPolarHBondContact O-CA 3.34Å; L372-E419 PolarHBondContact O-N 2.86Å; L372-E419 VanDerWaalsContact O-N 3.14Å
373G94.3Very high88.2Confident10 Ų1030.3 Ų30.310%0.10317%0.171CC..THydrogen-bonded Turntrans-77.8-0.3175.300000114.7R369 R370 T417 E419R369-G373 PolarHBondContact O-N 2.9Å; R370-G373 CarbonylContact O-C 3.57Å; R370-G373 PolarHBondContact O-N 2.82Å; G373-T417 WeakPolarHBondContact CA-O 3.48Å; G373-T417 PolarHBondContact N-O 2.8Å; G373-E419 WeakPolarHBondContact O-CB 3.46Å
374C94.8Very high86.9Confident28 Ų2827.9 Ų27.919%0.18916%0.158CC..  trans-145.174.2-179.5-700000109.9L87 T89 A90 C91 R370 L371 L372L87-C374 HydrophobicContact CD1-CB 4.28Å; T89-C374 WeakPolarHBondContact O-CB 3.44Å; A90-C374 CarbonylContact C-O 3.57Å; A90-C374 WeakPolarHBondContact CA-O 3.17Å; A90-C374 HydrophobicContact CB-CB 4.27Å; A90-C374 WeakPolarHBondContact CB-O 3.33Å; C91-C374 PolarHBondContact N-O 3.16Å; R370-C374 WeakPolarHBondContact O-CB 3.2Å; R370-C374 PolarHBondContact O-N 3.36Å; R370-C374 VanDerWaalsContact O-N 3.11Å; L371-C374 CarbonylContact O-C 3.6Å; L371-C374 PolarHBondContact O-N 3.06Å; L372-C374 PolarHBondContact O-N 3.37Å
375I96.4Very high85.6Confident0 Ų027.6 Ų27.60%016%0.156CC..EExtended strand (participates in β ladder)trans-102.5112175.6-57-178.8000108.9C91 I93 V325 I329 L371 L398 V418 E419 I420 I421C91-I375 HydrophobicContact CB-CG1 4.3Å; C91-I375 CarbonylContact O-C 2.98Å; C91-I375 VanDerWaalsContact O-CA 3.31Å; C91-I375 WeakPolarHBondContact O-CA 3.39Å; I93-I375 HydrophobicContact CD1-CG2 3.52Å; I93-I375 HydrophobicContact CG1-CG2 4.12Å; V325-I375 HydrophobicContact CG1-CD1 4.29Å; I329-I375 HydrophobicContact CD1-CD1 4.26Å; L371-I375 WeakPolarHBondContact O-CG1 3.14Å; I375-L398 HydrophobicContact CD1-CD1 3.4Å; I375-V418 HydrophobicContact CD1-CG1 4.16Å; I375-E419 PolarHBondContact N-O 3.36Å; I375-I420 HydrophobicContact CB-CG1 4.23Å; I375-I420 HydrophobicContact CG2-CG1 4.36Å; I375-I420 CarbonylContact O-C 3.55Å; I375-I420 WeakPolarHBondContact O-CA 3.31Å; I375-I421 PolarHBondContact O-N 3.21Å
376I94.7Very high84.5Confident0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans-89.5120.3179.6-62.8169.1000108.9T82 I85 A90 C91 V92 I93 I421 L429T82-I376 HydrophobicContact CG2-CD1 4.01Å; I85-I376 HydrophobicContact CB-CD1 4.43Å; I85-I376 HydrophobicContact CG2-CD1 3.47Å; I85-I376 VanDerWaalsContact CG2-CD1 3.47Å; I85-I376 HydrophobicContact CG2-CG1 4.25Å; A90-I376 HydrophobicContact CB-CD1 3.47Å; A90-I376 VanDerWaalsContact CB-CD1 3.47Å; A90-I376 HydrophobicContact CB-CG1 3.85Å; C91-I376 PolarHBondContact O-N 3.28Å; V92-I376 HydrophobicContact CG1-CB 4.43Å; V92-I376 HydrophobicContact CG1-CG2 4.39Å; V92-I376 HydrophobicContact CG2-CB 4.35Å; V92-I376 HydrophobicContact CG2-CD1 4.21Å; I93-I376 PolarHBondContact N-O 3.06Å; I376-I421 WeakPolarHBondContact CA-O 2.97Å; I376-L429 HydrophobicContact CG2-CD2 3.54Å
377L93Very high83.7Confident5 Ų524.5 Ų24.53%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-101.5112.5172.4-175.362.3000109.7I93 I95 V382 M390 I420 I421I93-L377 HydrophobicContact CB-CD1 4.04Å; I93-L377 HydrophobicContact CG2-CD1 3.87Å; I95-L377 HydrophobicContact CD1-CD1 3.8Å; I95-L377 HydrophobicContact CG1-CD1 4.03Å; L377-V382 HydrophobicContact CD1-CG2 3.91Å; L377-V382 HydrophobicContact CD2-CG1 3.72Å; L377-V382 HydrophobicContact CG-CG1 3.79Å; L377-V382 HydrophobicContact CG-CG2 3.87Å; L377-M390 HydrophobicContact CD2-CB 4.05Å; L377-M390 HydrophobicContact CD2-CG 3.68Å; L377-I420 HydrophobicContact CB-CG2 3.79Å; L377-I420 HydrophobicContact CD2-CG2 4.22Å; L377-I421 PolarHBondContact N-O 3.13Å
378T91.9Very high83.1Confident9 Ų929.9 Ų29.96%0.05517%0.167CC..EExtended strand (participates in β ladder)trans-133.6175.4-177.1-169.70000111.9A81 V92 I93 N94 I95 V382 D428 L429A81-T378 HydrophobicContact CB-CG2 4.3Å; V92-T378 HydrophobicContact CG1-CG2 3.98Å; I93-T378 PolarHBondContact O-N 3.16Å; N94-T378 CarbonylContact C-O 3.54Å; N94-T378 VanDerWaalsContact CA-O 3.26Å; N94-T378 WeakPolarHBondContact CA-O 3.38Å; N94-T378 HydrophobicContact CB-CG2 3.85Å; I95-T378 PolarHBondContact N-O 3.1Å; T378-V382 WeakPolarHBondContact O-CG2 3.47Å; T378-D428 PolarHBondContact OG1-OD1 3.44Å; T378-L429 WeakPolarHBondContact OG1-CB 3.5Å; T378-L429 PolarHBondContact OG1-N 3.35Å
379G86.8Confident82.7Confident9 Ų929.5 Ų29.59%0.09317%0.167CC..SBendtrans105.4149.6175.700000113.6N94 I95 G381 V382N94-G379 WeakPolarHBondContact OD1-CA 3.04Å; I95-G379 CarbonylContact O-C 3.54Å; I95-G379 VanDerWaalsContact O-C 3.28Å; I95-G379 WeakPolarHBondContact O-CA 3.43Å; G379-G381 PolarHBondContact O-N 3.01Å; G379-G381 VanDerWaalsContact O-N 3.12Å; G379-V382 PolarHBondContact O-N 3.04Å
380G79.2Confident82.5Confident52 Ų5224.2 Ų24.254%0.53615%0.147SC..Hα-helixtrans-65-14.7-177.800000114.5
381G79Confident82.4Confident0 Ų022.1 Ų22.10%014%0.142CC..Hα-helixtrans-73.7-28.9172.700000113.2I95 G379 V385I95-G381 VanDerWaalsContact O-CA 3.22Å; I95-G381 WeakPolarHBondContact O-CA 3.48Å; I95-G381 PolarHBondContact O-N 3.35Å; G379-G381 PolarHBondContact O-N 3.01Å; G379-G381 VanDerWaalsContact O-N 3.12Å; G381-V385 VanDerWaalsContact O-CG2 3.29Å; G381-V385 WeakPolarHBondContact O-CG2 3.46Å
382V76.5Confident82Confident4 Ų431 Ų312%0.02418%0.175CC..Hα-helixtrans-69.7-40.2177-164.20000110.6I95 L377 T378 G379 G384 V385 N387I95-V382 HydrophobicContact CB-CG2 3.74Å; I95-V382 HydrophobicContact CD1-CG2 4.16Å; I95-V382 HydrophobicContact CG1-CG2 4.04Å; L377-V382 HydrophobicContact CD1-CG2 3.91Å; L377-V382 HydrophobicContact CD2-CG1 3.72Å; L377-V382 HydrophobicContact CG-CG1 3.79Å; L377-V382 HydrophobicContact CG-CG2 3.87Å; T378-V382 WeakPolarHBondContact O-CG2 3.47Å; G379-V382 PolarHBondContact O-N 3.04Å; V382-G384 PolarHBondContact O-N 2.86Å; V382-V385 PolarHBondContact O-N 2.65Å; V382-N387 HydrophobicContact CG1-CB 4.06Å; V382-N387 VanDerWaalsContact CG1-OD1 3.23Å; V382-N387 WeakPolarHBondContact CG1-OD1 3.39Å; V382-N387 PolarHBondContact O-OD1 2.62Å; V382-N387 VanDerWaalsContact O-OD1 3.04Å
383A63.3Low81.9Confident66 Ų6632.6 Ų32.655%0.54518%0.181SC..Hα-helixtrans-58-33.5179.200000112.8V385A383-V385 VanDerWaalsContact C-N 3.28Å; A383-V385 PolarHBondContact O-N 2.95Å
384G57Low81.9Confident5 Ų532.1 Ų32.15%0.05218%0.176CC..THydrogen-bonded Turntrans-78.2-6.3176.700000114.9M163 V382M163-G384 WeakPolarHBondContact CE-O 3.35Å; V382-G384 PolarHBondContact O-N 2.86Å
385V56.8Low81.9Confident1 Ų131.9 Ų31.91%0.00617%0.174CC..THydrogen-bonded Turntrans-107.6-5.2-173.6172.60000112.8V125 H228 G381 V382 A383 M390V125-V385 HydrophobicContact CG1-CG2 4.44Å; V125-V385 HydrophobicContact CG2-CG2 4.29Å; H228-V385 HydrophobicContact CB-CG1 3.89Å; G381-V385 VanDerWaalsContact O-CG2 3.29Å; G381-V385 WeakPolarHBondContact O-CG2 3.46Å; V382-V385 PolarHBondContact O-N 2.65Å; A383-V385 VanDerWaalsContact C-N 3.28Å; A383-V385 PolarHBondContact O-N 2.95Å; V385-M390 HydrophobicContact CG1-CB 4.22Å; V385-M390 HydrophobicContact CG1-CE 4.14Å
386N64.7Low81.8Confident40 Ų4036.9 Ų36.921%0.21420%0.197CC..  trans51.9101.1-160.6-164.2-37000111V167 I171 Q388 I389V167-N386 HydrophobicContact CG1-CB 3.75Å; I171-N386 HydrophobicContact CD1-CB 4.45Å; I171-N386 WeakPolarHBondContact CD1-ND2 3.23Å; N386-Q388 PolarHBondContact O-N 3.37Å; N386-I389 PolarHBondContact O-N 2.93Å
387N70.5Confident81.9Confident30 Ų3040.7 Ų40.716%0.1622%0.215CC..Hα-helixtrans-44.5-32.3-170.9-54.2-0000113.6V382 I389 M390 E391V382-N387 HydrophobicContact CG1-CB 4.06Å; V382-N387 VanDerWaalsContact CG1-OD1 3.23Å; V382-N387 WeakPolarHBondContact CG1-OD1 3.39Å; V382-N387 PolarHBondContact O-OD1 2.62Å; V382-N387 VanDerWaalsContact O-OD1 3.04Å; N387-I389 PolarHBondContact O-N 3.01Å; N387-M390 PolarHBondContact O-N 2.67Å; N387-E391 WeakPolarHBondContact O-CB 3.43Å; N387-E391 PolarHBondContact O-N 2.65Å
388Q78Confident82Confident121 Ų12140.4 Ų40.457%0.56521%0.214SC*.Hα-helixtrans-59.9-38.5179.8-62.3-176.9-0.300114.3N386 R392N386-Q388 PolarHBondContact O-N 3.37Å; Q388-R392 VanDerWaalsContact O-CB 3.26Å; Q388-R392 WeakPolarHBondContact O-CB 3.26Å; Q388-R392 PolarHBondContact O-N 3.09Å
389I85.6Confident82.1Confident25 Ų2541.2 Ų41.213%0.12822%0.218CC..Hα-helixtrans-65.9-50.6-180-61.9171000109L225 H228 I229 N386 N387 W393L225-I389 HydrophobicContact CD2-CD1 3.5Å; L225-I389 HydrophobicContact CD2-CG1 3.79Å; L225-I389 HydrophobicContact CD2-CG2 4.29Å; H228-I389 HydrophobicContact CB-CG2 4.27Å; I229-I389 HydrophobicContact CD1-CG2 3.91Å; I229-I389 HydrophobicContact CG1-CG2 3.92Å; N386-I389 PolarHBondContact O-N 2.93Å; N387-I389 PolarHBondContact O-N 3.01Å; I389-W393 VanDerWaalsContact O-CB 3.27Å; I389-W393 WeakPolarHBondContact O-CB 3.32Å; I389-W393 PolarHBondContact O-N 3.33Å
390M87.8Confident82.4Confident1 Ų143.2 Ų43.21%0.00523%0.233CC..Hα-helixtrans-65.4-46.2-178.9-172.359.566.800111.5I95 F232 L377 V385 N387 W393 L394I95-M390 HydrophobicContact CD1-CE 4.14Å; I95-M390 HydrophobicContact CD1-CG 4.15Å; I95-M390 HydrophobicContact CD1-SD 4.35Å; F232-M390 HydrophobicContact CD2-CE 3.26Å; F232-M390 HydrophobicContact CD2-SD 4.42Å; F232-M390 HydrophobicContact CE2-CE 3.38Å; F232-M390 HydrophobicContact CG-CE 3.87Å; F232-M390 HydrophobicContact CZ-CE 4.12Å; L377-M390 HydrophobicContact CD2-CB 4.05Å; L377-M390 HydrophobicContact CD2-CG 3.68Å; V385-M390 HydrophobicContact CG1-CB 4.22Å; V385-M390 HydrophobicContact CG1-CE 4.14Å; N387-M390 PolarHBondContact O-N 2.67Å; M390-W393 HydrophobicContact SD-CE3 3.6Å; M390-W393 VanDerWaalsContact SD-CE3 3.6Å; M390-W393 HydrophobicContact SD-CZ3 3.64Å; M390-L394 WeakPolarHBondContact O-CB 3.37Å; M390-L394 PolarHBondContact O-N 3.5Å
391E88.8Confident83.1Confident57 Ų5742 Ų4227%0.26621%0.214SC..Hα-helixtrans-57.7-50.6178.2-177.5-160.2150.700111.2N387 T395 I420 H422N387-E391 WeakPolarHBondContact O-CB 3.43Å; N387-E391 PolarHBondContact O-N 2.65Å; E391-T395 VanDerWaalsContact O-CB 3.24Å; E391-T395 WeakPolarHBondContact O-CB 3.02Å; E391-T395 PolarHBondContact O-N 2.84Å; E391-T395 PolarHBondContact O-OG1 3.45Å; E391-I420 HydrophobicContact CB-CG2 4.25Å; E391-I420 HydrophobicContact CG-CB 3.8Å; E391-I420 HydrophobicContact CG-CG2 3.81Å; E391-I420 WeakPolarHBondContact O-CD1 3.36Å; E391-H422 IonicContact OE2-CD2 3.11Å; E391-H422 PolarHBondContact OE2-CD2 2.98Å; E391-H422 IonicContact OE2-NE2 3.28Å; E391-H422 PolarHBondContact OE2-NE2 3.15Å
392R88.9Confident83.5Confident188 Ų18842 Ų4271%0.70921%0.214SC*.Hα-helixtrans-68.5-44.5-177.5-169.6154.4-173.9168.2-0.6111.9Q388 E396Q388-R392 VanDerWaalsContact O-CB 3.26Å; Q388-R392 WeakPolarHBondContact O-CB 3.26Å; Q388-R392 PolarHBondContact O-N 3.09Å; R392-E396 WeakPolarHBondContact O-CG 2.79Å; R392-E396 PolarHBondContact O-N 2.92Å
393W92.7Very high84Confident33 Ų3348.1 Ų48.113%0.12524%0.237CC..Hα-helixtrans-61.5-50.4177.2168.774.3000111.6I229 F232 A233 P322 I389 M390 T395 E396 Q397I229-W393 HydrophobicContact CD1-CB 3.94Å; I229-W393 HydrophobicContact CD1-CG 3.94Å; I229-W393 HydrophobicContact CG1-CB 4.17Å; I229-W393 HydrophobicContact CG1-CD2 4.27Å; I229-W393 HydrophobicContact CG1-CG 3.98Å; I229-W393 HydrophobicContact CG2-CD2 3.72Å; I229-W393 VanDerWaalsContact CG2-CE2 3.42Å; I229-W393 HydrophobicContact CG2-CE3 4.45Å; I229-W393 HydrophobicContact CG2-CG 3.88Å; I229-W393 HydrophobicContact CG2-CZ2 3.94Å; F232-W393 HydrophobicContact CB-CH2 3.67Å; F232-W393 HydrophobicContact CB-CZ3 3.77Å; A233-W393 HydrophobicContact CB-CH2 4.35Å; A233-W393 HydrophobicContact CB-CZ2 3.64Å; P322-W393 HydrophobicContact CG-CH2 3.75Å; P322-W393 HydrophobicContact CG-CZ2 3.94Å; P322-W393 HydrophobicContact CG-CZ3 4.36Å; I389-W393 VanDerWaalsContact O-CB 3.27Å; I389-W393 WeakPolarHBondContact O-CB 3.32Å; I389-W393 PolarHBondContact O-N 3.33Å; M390-W393 HydrophobicContact SD-CE3 3.6Å; M390-W393 VanDerWaalsContact SD-CE3 3.6Å; M390-W393 HydrophobicContact SD-CZ3 3.64Å; W393-T395 PolarHBondContact O-N 3.23Å; W393-E396 PolarHBondContact O-N 3.43Å; W393-Q397 HydrophobicContact CD2-CG 4.24Å; W393-Q397 HydrophobicContact CG-CG 4.39Å; W393-Q397 HydrophobicContact CZ2-CG 4.06Å; W393-Q397 VanDerWaalsContact O-CG 3.31Å; W393-Q397 WeakPolarHBondContact O-CG 3.33Å; W393-Q397 PolarHBondContact O-N 3.05Å
394L94.2Very high85.2Confident0 Ų050.8 Ų50.80%024%0.238CC..Hα-helixtrans-65.9-38-176.6-177.358.9000111.7I93 L321 P322 M390 Q397 L398 I420I93-L394 HydrophobicContact CD1-CD2 3.59Å; L321-L394 HydrophobicContact CD2-CD2 4.35Å; L321-L394 HydrophobicContact CG-CD1 4.49Å; P322-L394 HydrophobicContact CB-CD1 4.07Å; P322-L394 HydrophobicContact CG-CD1 3.67Å; M390-L394 WeakPolarHBondContact O-CB 3.37Å; M390-L394 PolarHBondContact O-N 3.5Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-L398 HydrophobicContact CD1-CD1 3.89Å; L394-L398 HydrophobicContact CD1-CG 3.97Å; L394-L398 HydrophobicContact CG-CD1 3.86Å; L394-L398 HydrophobicContact CG-CG 4.37Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.32Å; L394-L398 PolarHBondContact O-N 3.13Å; L394-I420 HydrophobicContact CB-CD1 3.51Å; L394-I420 HydrophobicContact CD2-CD1 3.76Å; L394-I420 HydrophobicContact CG-CD1 3.55Å
395T94.5Very high86.5Confident24 Ų2454.9 Ų54.915%0.14725%0.254CS..Hα-helixtrans-57.5-51.6173.8-63.60000111E391 W393 Q397 L398 I399 V418 I420E391-T395 VanDerWaalsContact O-CB 3.24Å; E391-T395 WeakPolarHBondContact O-CB 3.02Å; E391-T395 PolarHBondContact O-N 2.84Å; E391-T395 PolarHBondContact O-OG1 3.45Å; W393-T395 PolarHBondContact O-N 3.23Å; T395-Q397 PolarHBondContact O-N 2.91Å; T395-L398 PolarHBondContact O-N 3.46Å; T395-I399 HydrophobicContact CG2-CD1 3.78Å; T395-I399 VanDerWaalsContact O-CG1 3.27Å; T395-I399 WeakPolarHBondContact O-CG1 3.37Å; T395-I399 PolarHBondContact O-N 3.49Å; T395-V418 HydrophobicContact CG2-CB 4.43Å; T395-V418 HydrophobicContact CG2-CG1 4.27Å; T395-I420 VanDerWaalsContact OG1-CD1 3.29Å; T395-I420 WeakPolarHBondContact OG1-CD1 3.42Å; T395-I420 WeakPolarHBondContact OG1-CG1 3.35Å
396E93.8Very high87.3Confident104 Ų10457 Ų5749%0.48626%0.264SS..Hα-helixtrans-63.6-41.5-179.7-68.1-62.9159.500112.4R392 W393 I399 A400R392-E396 WeakPolarHBondContact O-CG 2.79Å; R392-E396 PolarHBondContact O-N 2.92Å; W393-E396 PolarHBondContact O-N 3.43Å; E396-I399 PolarHBondContact O-N 2.87Å; E396-A400 WeakPolarHBondContact O-CB 3.26Å; E396-A400 PolarHBondContact O-N 2.97Å
397Q95.8Very high87.5Confident80 Ų8059.2 Ų59.237%0.37429%0.288SS..Hα-helixtrans-64.4-43.4177.7-67.4-56.4-49.100112.1P322 W393 L394 T395 A400 I401P322-Q397 HydrophobicContact CB-CB 3.83Å; P322-Q397 HydrophobicContact CG-CB 3.56Å; P322-Q397 HydrophobicContact CG-CG 4.02Å; W393-Q397 HydrophobicContact CD2-CG 4.24Å; W393-Q397 HydrophobicContact CG-CG 4.39Å; W393-Q397 HydrophobicContact CZ2-CG 4.06Å; W393-Q397 VanDerWaalsContact O-CG 3.31Å; W393-Q397 WeakPolarHBondContact O-CG 3.33Å; W393-Q397 PolarHBondContact O-N 3.05Å; L394-Q397 PolarHBondContact O-N 2.91Å; T395-Q397 PolarHBondContact O-N 2.91Å; Q397-A400 WeakPolarHBondContact O-CB 3.4Å; Q397-A400 PolarHBondContact O-N 3.16Å; Q397-I401 WeakPolarHBondContact O-CG1 3.43Å; Q397-I401 PolarHBondContact O-N 2.87Å
398L95.6Very high87.3Confident0 Ų061.8 Ų61.80%031%0.314CS..Hα-helixtrans-69.3-36.7179.1-72.8172.4000112.2P322 V325 I375 L394 T395 A400 I401 A402 V418P322-L398 HydrophobicContact CB-CD2 4.19Å; P322-L398 HydrophobicContact CB-CG 4.48Å; P322-L398 WeakPolarHBondContact O-CD2 3.38Å; V325-L398 HydrophobicContact CB-CD2 4.13Å; V325-L398 HydrophobicContact CG1-CD1 4.02Å; V325-L398 HydrophobicContact CG1-CD2 3.92Å; I375-L398 HydrophobicContact CD1-CD1 3.4Å; L394-L398 HydrophobicContact CD1-CD1 3.89Å; L394-L398 HydrophobicContact CD1-CG 3.97Å; L394-L398 HydrophobicContact CG-CD1 3.86Å; L394-L398 HydrophobicContact CG-CG 4.37Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.32Å; L394-L398 PolarHBondContact O-N 3.13Å; T395-L398 PolarHBondContact O-N 3.46Å; L398-A400 VanDerWaalsContact C-N 3.32Å; L398-I401 PolarHBondContact O-N 2.95Å; L398-A402 WeakPolarHBondContact O-CB 3.42Å; L398-A402 PolarHBondContact O-N 3.33Å; L398-V418 HydrophobicContact CB-CG1 3.98Å; L398-V418 HydrophobicContact CB-CG2 4.19Å; L398-V418 HydrophobicContact CD1-CG1 4.15Å
399I93.7Very high86.5Confident26 Ų2661.5 Ų61.513%0.13332%0.32CS..Hα-helixtrans-61.4-44171.7-70.3169.3000110.1T395 E396 A402 R403 I415 V418T395-I399 HydrophobicContact CG2-CD1 3.78Å; T395-I399 VanDerWaalsContact O-CG1 3.27Å; T395-I399 WeakPolarHBondContact O-CG1 3.37Å; T395-I399 PolarHBondContact O-N 3.49Å; E396-I399 PolarHBondContact O-N 2.87Å; I399-A402 PolarHBondContact O-N 3.48Å; I399-R403 HydrophobicContact CG2-CG 4.42Å; I399-R403 VanDerWaalsContact CG2-CZ 3.45Å; I399-R403 WeakPolarHBondContact O-CB 3.41Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.38Å; I399-R403 PolarHBondContact O-N 3.2Å; I399-I415 HydrophobicContact CG2-CG2 4.3Å; I399-V418 HydrophobicContact CD1-CB 4.37Å; I399-V418 HydrophobicContact CG1-CB 3.79Å; I399-V418 HydrophobicContact CG1-CG2 3.66Å
400A93.8Very high85.2Confident50 Ų5063.9 Ų63.941%0.41334%0.336SS..Hα-helixtrans-61.6-49.2177.600000111.9E396 Q397 L398 A402 R403 E404E396-A400 WeakPolarHBondContact O-CB 3.26Å; E396-A400 PolarHBondContact O-N 2.97Å; Q397-A400 WeakPolarHBondContact O-CB 3.4Å; Q397-A400 PolarHBondContact O-N 3.16Å; L398-A400 VanDerWaalsContact C-N 3.32Å; A400-A402 VanDerWaalsContact C-N 3.35Å; A400-A402 PolarHBondContact O-N 3.01Å; A400-R403 PolarHBondContact O-N 2.93Å; A400-E404 PolarHBondContact O-N 3.24Å
401I93.1Very high83.6Confident27 Ų2771.2 Ų71.214%0.13838%0.381CS..Hα-helixtrans-59.8-46176.2-67.9168.8000110.5P322 W326 Q397 L398 R403 E404 K405P322-I401 HydrophobicContact CB-CD1 3.53Å; W326-I401 HydrophobicContact CB-CG2 3.95Å; W326-I401 HydrophobicContact CD2-CG2 3.6Å; W326-I401 HydrophobicContact CE3-CG2 3.95Å; W326-I401 HydrophobicContact CG-CG2 3.56Å; Q397-I401 WeakPolarHBondContact O-CG1 3.43Å; Q397-I401 PolarHBondContact O-N 2.87Å; L398-I401 PolarHBondContact O-N 2.95Å; I401-R403 VanDerWaalsContact C-N 3.35Å; I401-R403 PolarHBondContact O-N 3.28Å; I401-E404 PolarHBondContact O-N 2.94Å; I401-K405 HydrophobicContact CG2-CG 4.19Å; I401-K405 WeakPolarHBondContact O-CG 3.34Å; I401-K405 PolarHBondContact O-N 3.48Å
402A88.8Confident82.2Confident0 Ų071.8 Ų71.80%039%0.391CS..Hα-helixtrans-63.2-40.9-178.800000112.1W326 L398 I399 A400 Q406 P416W326-A402 HydrophobicContact CE3-CB 4.47Å; W326-A402 HydrophobicContact CH2-CB 4.27Å; W326-A402 HydrophobicContact CZ3-CB 3.69Å; L398-A402 WeakPolarHBondContact O-CB 3.42Å; L398-A402 PolarHBondContact O-N 3.33Å; I399-A402 PolarHBondContact O-N 3.48Å; A400-A402 VanDerWaalsContact C-N 3.35Å; A400-A402 PolarHBondContact O-N 3.01Å; A402-Q406 WeakPolarHBondContact O-CB 3.41Å; A402-Q406 VanDerWaalsContact O-CG 3.23Å; A402-Q406 WeakPolarHBondContact O-CG 3.19Å; A402-Q406 PolarHBondContact O-N 3.13Å; A402-P416 HydrophobicContact CB-CG 3.53Å
403R87.5Confident80.7Confident133 Ų13368.4 Ų68.450%0.50240%0.396SS..Hα-helixtrans-62.9-46.6174.3-74.9174.5-178166.45.3111.7I399 A400 I401 A407 I415I399-R403 HydrophobicContact CG2-CG 4.42Å; I399-R403 VanDerWaalsContact CG2-CZ 3.45Å; I399-R403 WeakPolarHBondContact O-CB 3.41Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.38Å; I399-R403 PolarHBondContact O-N 3.2Å; A400-R403 PolarHBondContact O-N 2.93Å; I401-R403 VanDerWaalsContact C-N 3.35Å; I401-R403 PolarHBondContact O-N 3.28Å; R403-A407 WeakPolarHBondContact O-CB 3.5Å; R403-A407 PolarHBondContact O-N 3.2Å; R403-I415 HydrophobicContact CG-CG1 4.46Å; R403-I415 HydrophobicContact CG-CG2 4.31Å
404E88.4Confident79.4Confident122 Ų12273 Ų7357%0.5742%0.419SS*.Hα-helixtrans-59.9-47.4178.7-172.1-157.4127.300111.3A400 I401A400-E404 PolarHBondContact O-N 3.24Å; I401-E404 PolarHBondContact O-N 2.94Å
405K84.3Confident78.2Confident90 Ų9076.7 Ų76.739%0.39144%0.438SS..Hα-helixtrans-77.5-32.1-176.4-60-55.3-176.6-149.40113.4W326 I401 A408W326-K405 HydrophobicContact CH2-CB 4.11Å; W326-K405 HydrophobicContact CZ2-CB 3.48Å; W326-K405 VanDerWaalsContact CZ2-CB 3.48Å; W326-K405 HydrophobicContact CZ2-CG 3.81Å; I401-K405 HydrophobicContact CG2-CG 4.19Å; I401-K405 WeakPolarHBondContact O-CG 3.34Å; I401-K405 PolarHBondContact O-N 3.48Å; K405-A408 WeakPolarHBondContact O-CB 3.39Å; K405-A408 PolarHBondContact O-N 2.84Å
406Q73.2Confident77.1Confident45 Ų4575.8 Ų75.821%0.2143%0.432CS..Hα-helixtrans-68.9-37175.3-78.8-176.9-8.500112.7A402 A408 T409 T410A402-Q406 WeakPolarHBondContact O-CB 3.41Å; A402-Q406 VanDerWaalsContact O-CG 3.23Å; A402-Q406 WeakPolarHBondContact O-CG 3.19Å; A402-Q406 PolarHBondContact O-N 3.13Å; Q406-A408 PolarHBondContact O-N 3.4Å; Q406-T409 PolarHBondContact O-N 2.88Å; Q406-T410 PolarHBondContact O-N 3.4Å
407A67.6Low76.8Confident87 Ų8775.4 Ų75.472%0.71944%0.437SS*.THydrogen-bonded Turntrans-57-23174.200000112.6R403R403-A407 WeakPolarHBondContact O-CB 3.5Å; R403-A407 PolarHBondContact O-N 3.2Å
408A66.9Low76.7Confident85 Ų8572.4 Ų72.470%0.70242%0.424SS*.THydrogen-bonded Turntrans-84.7-12.8178.200000114.8K405 Q406K405-A408 WeakPolarHBondContact O-CB 3.39Å; K405-A408 PolarHBondContact O-N 2.84Å; Q406-A408 PolarHBondContact O-N 3.4Å
409T62.6Low76.6Confident115 Ų11577.7 Ų77.771%0.70645%0.449SS*.THydrogen-bonded Turntrans-128.4-30.4-167.3-48.90000115.4Q406Q406-T409 PolarHBondContact O-N 2.88Å
410T57.3Low76.5Confident75 Ų7576.9 Ų76.946%0.4645%0.445SS..  trans-151.4153.9-176.846.20000114.3Q406 S412Q406-T410 PolarHBondContact O-N 3.4Å; T410-S412 PolarHBondContact O-N 3.05Å
411V53.8Low76.4Confident155 Ų15576 Ų7694%0.93943%0.433SS*.  trans-74.86.9176.4-173.40000112.4S413V411-S413 PolarHBondContact O-N 3.43Å
412S59.1Low75.9Confident68 Ų6877.6 Ų77.648%0.47644%0.439SS..  trans-71115.5178.8177.60000110.1T410 H414T410-S412 PolarHBondContact O-N 3.05Å; S412-H414 VanDerWaalsContact C-N 3.26Å; S412-H414 PolarHBondContact O-N 3.39Å
413S57.2Low75.2Confident118 Ų11881.3 Ų81.383%0.82546%0.457SS*.  trans-78-6.817756.40000113.9V411 I415V411-S413 PolarHBondContact O-N 3.43Å; S413-I415 PolarHBondContact O-N 2.89Å; S413-I415 VanDerWaalsContact O-N 3.17Å
414H67.3Low74Confident130 Ų13080.1 Ų80.160%0.60247%0.469SS*.  trans-78.5105.5-177.2-161.5-63.8000110.6S412S412-H414 VanDerWaalsContact C-N 3.26Å; S412-H414 PolarHBondContact O-N 3.39Å
415I67.3Low73Confident77 Ų7780.5 Ų80.540%0.39547%0.47SS..PPolyproline II helixtrans-58.6129.7171.1-60.2163.4000107.6I399 R403 S413 T417I399-I415 HydrophobicContact CG2-CG2 4.3Å; R403-I415 HydrophobicContact CG-CG1 4.46Å; R403-I415 HydrophobicContact CG-CG2 4.31Å; S413-I415 PolarHBondContact O-N 2.89Å; S413-I415 VanDerWaalsContact O-N 3.17Å; I415-T417 PolarHBondContact O-N 3.36Å
416P73Confident71.6Confident5 Ų582 Ų823%0.03249%0.489CS..PPolyproline II helixtrans-66.3134.9178.126.6-27.9000108.1L372 A402 V418L372-P416 HydrophobicContact CD1-CB 3.8Å; L372-P416 HydrophobicContact CD1-CG 3.96Å; A402-P416 HydrophobicContact CB-CG 3.53Å; P416-V418 PolarHBondContact O-N 2.68Å
417T87.1Confident71.1Confident96 Ų9681.8 Ų81.859%0.58950%0.499SS*.PPolyproline II helixtrans-65.6119.2169.348.70000107.4L372 G373 I415L372-T417 CarbonylContact C-O 3.33Å; G373-T417 WeakPolarHBondContact CA-O 3.48Å; G373-T417 PolarHBondContact N-O 2.8Å; I415-T417 PolarHBondContact O-N 3.36Å
418V92.4Very high71.6Confident17 Ų1779.7 Ų79.710%0.10348%0.476CS..PPolyproline II helixtrans-99.9120.9168.7177.40000106.8L372 I375 T395 L398 I399 P416L372-V418 HydrophobicContact CD2-CG2 4.37Å; L372-V418 WeakPolarHBondContact O-CA 3.34Å; I375-V418 HydrophobicContact CD1-CG1 4.16Å; T395-V418 HydrophobicContact CG2-CB 4.43Å; T395-V418 HydrophobicContact CG2-CG1 4.27Å; L398-V418 HydrophobicContact CB-CG1 3.98Å; L398-V418 HydrophobicContact CB-CG2 4.19Å; L398-V418 HydrophobicContact CD1-CG1 4.15Å; I399-V418 HydrophobicContact CD1-CB 4.37Å; I399-V418 HydrophobicContact CG1-CB 3.79Å; I399-V418 HydrophobicContact CG1-CG2 3.66Å; P416-V418 PolarHBondContact O-N 2.68Å
419E93.6Very high72.7Confident111 Ų11175.8 Ų75.852%0.51944%0.443SS..  trans-127.3119.7177.3-172.4178.9171.600108.9L372 G373 I375 I421L372-E419 PolarHBondContact O-N 2.86Å; L372-E419 VanDerWaalsContact O-N 3.14Å; G373-E419 WeakPolarHBondContact O-CB 3.46Å; I375-E419 PolarHBondContact N-O 3.36Å; E419-I421 HydrophobicContact CG-CG1 4.03Å
420I92.4Very high74.1Confident9 Ų970.4 Ų70.45%0.04641%0.41CS..EExtended strand (participates in β ladder)trans-99.7117.5173.9-63.4-179.8000108I375 L377 E391 L394 T395I375-I420 HydrophobicContact CB-CG1 4.23Å; I375-I420 HydrophobicContact CG2-CG1 4.36Å; I375-I420 CarbonylContact O-C 3.55Å; I375-I420 WeakPolarHBondContact O-CA 3.31Å; L377-I420 HydrophobicContact CB-CG2 3.79Å; L377-I420 HydrophobicContact CD2-CG2 4.22Å; E391-I420 HydrophobicContact CB-CG2 4.25Å; E391-I420 HydrophobicContact CG-CB 3.8Å; E391-I420 HydrophobicContact CG-CG2 3.81Å; E391-I420 WeakPolarHBondContact O-CD1 3.36Å; L394-I420 HydrophobicContact CB-CD1 3.51Å; L394-I420 HydrophobicContact CD2-CD1 3.76Å; L394-I420 HydrophobicContact CG-CD1 3.55Å; T395-I420 VanDerWaalsContact OG1-CD1 3.29Å; T395-I420 WeakPolarHBondContact OG1-CD1 3.42Å; T395-I420 WeakPolarHBondContact OG1-CG1 3.35Å
421I90.7Very high75.7Confident32 Ų3275.1 Ų75.116%0.16442%0.42CS..EExtended strand (participates in β ladder)trans-103.8124.3-176.9-54.4172.3000107.6I85 L87 I375 I376 L377 E419I85-I421 HydrophobicContact CD1-CG2 3.71Å; I85-I421 HydrophobicContact CG1-CG2 3.86Å; L87-I421 HydrophobicContact CD1-CD1 3.5Å; L87-I421 VanDerWaalsContact CD1-CD1 3.5Å; I375-I421 PolarHBondContact O-N 3.21Å; I376-I421 WeakPolarHBondContact CA-O 2.97Å; L377-I421 PolarHBondContact N-O 3.13Å; E419-I421 HydrophobicContact CG-CG1 4.03Å
422H82.5Confident77.5Confident59 Ų5970.1 Ų70.127%0.27339%0.392SS..  trans-125.5154.1173.773.678.8000110.1E391E391-H422 IonicContact OE2-CD2 3.11Å; E391-H422 PolarHBondContact OE2-CD2 2.98Å; E391-H422 IonicContact OE2-NE2 3.28Å; E391-H422 PolarHBondContact OE2-NE2 3.15Å
423H74.9Confident79.1Confident79 Ų7966.9 Ų66.937%0.36637%0.369SS..  trans-102.5132.8174.4-164.6-87.4000109.3E425 L429H423-E425 WeakPolarHBondContact ND1-CB 3.5Å; H423-E425 PolarHBondContact ND1-N 2.65Å; H423-L429 HydrophobicContact CB-CD1 4.1Å
424S63.4Low80.9Confident108 Ų10861.6 Ų61.676%0.75533%0.332SS*.SBendtrans-74.4-25-173.1-42.80000113.5
425E65.4Low82.1Confident129 Ų12964.7 Ų64.760%0.60334%0.339SS*.SBendtrans-72.4141.7179.7-68.3-71148.700111.6H423 G427H423-E425 WeakPolarHBondContact ND1-CB 3.5Å; H423-E425 PolarHBondContact ND1-N 2.65Å; E425-G427 PolarHBondContact O-N 3.17Å
426P55.8Low83.3Confident121 Ų12165.1 Ų65.179%0.78634%0.342SS*.SBendtrans-68.6-2.6-173.428.6-35.9000114.6
427G63.6Low84Confident41 Ų4165.5 Ų65.542%0.42334%0.343SS..SBendtrans-78.6132.4176.700000111.7E425 L429E425-G427 PolarHBondContact O-N 3.17Å; G427-L429 PolarHBondContact O-N 3.3Å; G427-L429 VanDerWaalsContact O-N 3.09Å
428D77.6Confident84.1Confident43 Ų4365.9 Ų65.923%0.2334%0.341CS..  trans-56.8118.7170.4173.10.9000109T378 S430 W431 S432T378-D428 PolarHBondContact OG1-OD1 3.44Å; D428-S430 PolarHBondContact O-N 3.32Å; D428-S430 VanDerWaalsContact OD1-CB 3.3Å; D428-S430 WeakPolarHBondContact OD1-CB 3.12Å; D428-S430 PolarHBondContact OD1-N 3.02Å; D428-S430 VanDerWaalsContact OD1-N 3.07Å; D428-S430 PolarHBondContact OD1-OG 3.47Å; D428-W431 WeakPolarHBondContact O-CB 3.32Å; D428-W431 PolarHBondContact O-N 3.31Å; D428-S432 PolarHBondContact O-N 2.9Å
429L89.1Confident84Confident4 Ų470.7 Ų70.72%0.02137%0.371CS..Hα-helixtrans-52.4-29.7-175-173.364.4000112.3A81 I85 I376 T378 H423 G427 W431 S432 G433A81-L429 HydrophobicContact CB-CB 4.41Å; A81-L429 HydrophobicContact CB-CD2 4.15Å; A81-L429 HydrophobicContact CB-CG 4.26Å; A81-L429 WeakPolarHBondContact O-CD2 3.32Å; I85-L429 HydrophobicContact CB-CD2 4.18Å; I376-L429 HydrophobicContact CG2-CD2 3.54Å; T378-L429 WeakPolarHBondContact OG1-CB 3.5Å; T378-L429 PolarHBondContact OG1-N 3.35Å; H423-L429 HydrophobicContact CB-CD1 4.1Å; G427-L429 PolarHBondContact O-N 3.3Å; G427-L429 VanDerWaalsContact O-N 3.09Å; L429-W431 VanDerWaalsContact C-N 3.28Å; L429-W431 PolarHBondContact O-N 3.08Å; L429-S432 PolarHBondContact O-N 3.15Å; L429-G433 PolarHBondContact O-N 3.05Å
430S92.2Very high83.7Confident1 Ų167.1 Ų67.11%0.00736%0.358CS..Hα-helixtrans-58.2-39.6174.5-38.90000111.8A77 C80 D428 A434A77-S430 PolarHBondContact O-OG 2.76Å; C80-S430 WeakPolarHBondContact CB-O 3.19Å; D428-S430 PolarHBondContact O-N 3.32Å; D428-S430 VanDerWaalsContact OD1-CB 3.3Å; D428-S430 WeakPolarHBondContact OD1-CB 3.12Å; D428-S430 PolarHBondContact OD1-N 3.02Å; D428-S430 VanDerWaalsContact OD1-N 3.07Å; D428-S430 PolarHBondContact OD1-OG 3.47Å; S430-A434 VanDerWaalsContact O-CB 3.25Å; S430-A434 WeakPolarHBondContact O-CB 3.44Å; S430-A434 PolarHBondContact O-N 2.76Å
431W91.9Very high83.5Confident174 Ų17473 Ų7366%0.65939%0.39SS*.Hα-helixtrans-74.1-39178.7-64.370.6000111.5D428 L429 A434 R435D428-W431 WeakPolarHBondContact O-CB 3.32Å; D428-W431 PolarHBondContact O-N 3.31Å; L429-W431 VanDerWaalsContact C-N 3.28Å; L429-W431 PolarHBondContact O-N 3.08Å; W431-A434 PolarHBondContact O-N 2.86Å; W431-R435 PolarHBondContact O-N 3.5Å
432S90.6Very high83.2Confident51 Ų5177.9 Ų77.936%0.35742%0.415SS..Hα-helixtrans-60.9-46.3174.8-63.80000111.5D428 L429 R435 L436D428-S432 PolarHBondContact O-N 2.9Å; L429-S432 PolarHBondContact O-N 3.15Å; S432-R435 WeakPolarHBondContact O-CB 3.25Å; S432-R435 PolarHBondContact O-N 2.89Å; S432-L436 WeakPolarHBondContact O-CG 3.4Å; S432-L436 PolarHBondContact O-N 2.93Å
433G93.6Very high83.6Confident0 Ų075.3 Ų75.30%040%0.403CS..Hα-helixtrans-73.2-31177.100000114.1C80 G84 L429 R435 L436 L437C80-G433 VanDerWaalsContact O-CA 3.24Å; C80-G433 WeakPolarHBondContact O-CA 3.35Å; G84-G433 VanDerWaalsContact CA-CA 3.49Å; L429-G433 PolarHBondContact O-N 3.05Å; G433-R435 VanDerWaalsContact C-N 3.25Å; G433-R435 PolarHBondContact O-N 2.98Å; G433-L436 PolarHBondContact O-N 3.48Å; G433-L436 VanDerWaalsContact O-N 3.11Å; G433-L437 PolarHBondContact O-N 3.39Å
434A94Very high84.3Confident6 Ų675.3 Ų75.35%0.0541%0.406CS..Hα-helixtrans-61.1-35.716900000112.1I44 V46 C80 S430 W431 L437I44-A434 WeakPolarHBondContact CD1-O 3.32Å; I44-A434 HydrophobicContact CG2-CB 4.06Å; V46-A434 HydrophobicContact CG2-CB 3.54Å; C80-A434 HydrophobicContact CB-CB 4.27Å; S430-A434 VanDerWaalsContact O-CB 3.25Å; S430-A434 WeakPolarHBondContact O-CB 3.44Å; S430-A434 PolarHBondContact O-N 2.76Å; W431-A434 PolarHBondContact O-N 2.86Å; A434-L437 WeakPolarHBondContact O-CB 3.45Å
435R92.7Very high85.7Confident196 Ų19676.9 Ų76.974%0.7441%0.406SS*.Hα-helixtrans-67.3-42.1170.9179.3-177.1175.4-174.9-1.1111.8W431 S432 G433 L437 L438W431-R435 PolarHBondContact O-N 3.5Å; S432-R435 WeakPolarHBondContact O-CB 3.25Å; S432-R435 PolarHBondContact O-N 2.89Å; G433-R435 VanDerWaalsContact C-N 3.25Å; G433-R435 PolarHBondContact O-N 2.98Å; R435-L437 VanDerWaalsContact C-N 3.25Å; R435-L437 PolarHBondContact O-N 3.49Å; R435-L438 WeakPolarHBondContact O-CB 3.3Å; R435-L438 PolarHBondContact O-N 3.35Å
436L91.8Very high87.1Confident86 Ų8672.9 Ų72.945%0.4539%0.388SS..Hα-helixtrans-63.1-31.1178.1-70.7173.9000112.5Y83 S432 G433 L438 T439Y83-L436 WeakPolarHBondContact O-CD1 3.21Å; S432-L436 WeakPolarHBondContact O-CG 3.4Å; S432-L436 PolarHBondContact O-N 2.93Å; G433-L436 PolarHBondContact O-N 3.48Å; G433-L436 VanDerWaalsContact O-N 3.11Å; L436-L438 PolarHBondContact O-N 3.12Å; L436-L438 VanDerWaalsContact O-N 3.11Å; L436-T439 WeakPolarHBondContact O-CB 3.36Å; L436-T439 PolarHBondContact O-N 3.34Å; L436-T439 PolarHBondContact O-OG1 3.29Å
437L89.6Confident89.1Confident13 Ų1367.5 Ų67.57%0.06835%0.352CS..G310 helixtrans-55.7-26.9173.7-84.5173.5000114.3F73 Y83 G433 A434 R435 T439 S440F73-L437 HydrophobicContact CE1-CD1 4.13Å; Y83-L437 HydrophobicContact CD2-CD1 3.68Å; Y83-L437 HydrophobicContact CD2-CD2 3.52Å; Y83-L437 HydrophobicContact CD2-CG 3.48Å; Y83-L437 VanDerWaalsContact CD2-CG 3.48Å; Y83-L437 HydrophobicContact CE2-CD1 3.75Å; Y83-L437 HydrophobicContact CE2-CD2 3.32Å; Y83-L437 HydrophobicContact CE2-CG 3.74Å; Y83-L437 HydrophobicContact CG-CD2 4.33Å; Y83-L437 HydrophobicContact CG-CG 4.37Å; G433-L437 PolarHBondContact O-N 3.39Å; A434-L437 WeakPolarHBondContact O-CB 3.45Å; R435-L437 VanDerWaalsContact C-N 3.25Å; R435-L437 PolarHBondContact O-N 3.49Å; L437-T439 PolarHBondContact O-N 3.46Å; L437-T439 VanDerWaalsContact O-N 3.16Å; L437-S440 WeakPolarHBondContact O-CB 3.47Å; L437-S440 PolarHBondContact O-N 3.05Å
438L89Confident90.7Very high103 Ų10365.7 Ų65.754%0.53933%0.333SS..G310 helixtrans-63.9-17.1175.5-65.9172.3000113.3I44 R435 L436 W447I44-L438 HydrophobicContact CD1-CD2 3.67Å; I44-L438 HydrophobicContact CD1-CG 3.86Å; R435-L438 WeakPolarHBondContact O-CB 3.3Å; R435-L438 PolarHBondContact O-N 3.35Å; L436-L438 PolarHBondContact O-N 3.12Å; L436-L438 VanDerWaalsContact O-N 3.11Å; L438-W447 HydrophobicContact CD2-CH2 4.03Å; L438-W447 HydrophobicContact CD2-CZ2 3.88Å
439T89Confident91.7Very high119 Ų11964.9 Ų64.973%0.7333%0.33SS*.G310 helixtrans-87.6-10.5175.6690000113L436 L437L436-T439 WeakPolarHBondContact O-CB 3.36Å; L436-T439 PolarHBondContact O-N 3.34Å; L436-T439 PolarHBondContact O-OG1 3.29Å; L437-T439 PolarHBondContact O-N 3.46Å; L437-T439 VanDerWaalsContact O-N 3.16Å
440S87.6Confident92.1Very high35 Ų3566.6 Ų66.625%0.24534%0.341CS..  trans-90.2135180-178.40000110.9L437 L442 I443L437-S440 WeakPolarHBondContact O-CB 3.47Å; L437-S440 PolarHBondContact O-N 3.05Å; S440-L442 PolarHBondContact O-N 3.29Å; S440-L442 WeakPolarHBondContact OG-CB 3.35Å; S440-L442 VanDerWaalsContact OG-CG 3.3Å; S440-L442 WeakPolarHBondContact OG-CG 3.33Å; S440-L442 PolarHBondContact OG-N 3.5Å; S440-I443 WeakPolarHBondContact O-CG2 3.44Å
441D88.9Confident92.3Very high134 Ų13470 Ų7072%0.71737%0.369SS*.G310 helixtrans-67.9-17.6173.2-69.8-40.7000112.8I443 N444D441-I443 PolarHBondContact O-N 3.45Å; D441-I443 VanDerWaalsContact O-N 3.15Å; D441-N444 WeakPolarHBondContact O-CB 3.46Å; D441-N444 PolarHBondContact O-N 3.22Å; D441-N444 PolarHBondContact O-ND2 3.21Å; D441-N444 PolarHBondContact OD1-ND2 2.74Å
442L83.3Confident92.6Very high133 Ų13364.3 Ų64.370%0.69635%0.35SS*.G310 helixtrans-60.3-26.1-177.7-62.6173.8000113.3S440 L446S440-L442 PolarHBondContact O-N 3.29Å; S440-L442 WeakPolarHBondContact OG-CB 3.35Å; S440-L442 VanDerWaalsContact OG-CG 3.3Å; S440-L442 WeakPolarHBondContact OG-CG 3.33Å; S440-L442 PolarHBondContact OG-N 3.5Å; L442-L446 WeakPolarHBondContact O-CD1 3.49Å
443I91.1Very high92.8Very high5 Ų562.7 Ų62.73%0.02634%0.336CS..G310 helixtrans-82.8-17.3-176.9-163.3171.1000113.1I44 F73 S440 D441 D445 L446 W447I44-I443 HydrophobicContact CD1-CD1 4.18Å; F73-I443 HydrophobicContact CB-CD1 4.01Å; F73-I443 HydrophobicContact CB-CG1 4.31Å; F73-I443 HydrophobicContact CD1-CD1 3.31Å; F73-I443 HydrophobicContact CD1-CG1 3.92Å; F73-I443 HydrophobicContact CD2-CD1 3.89Å; F73-I443 HydrophobicContact CD2-CG1 3.52Å; F73-I443 HydrophobicContact CE1-CD1 3.56Å; F73-I443 HydrophobicContact CE1-CG1 4Å; F73-I443 HydrophobicContact CE2-CD1 4.12Å; F73-I443 HydrophobicContact CE2-CG1 3.63Å; F73-I443 HydrophobicContact CG-CD1 3.46Å; F73-I443 VanDerWaalsContact CG-CD1 3.46Å; F73-I443 HydrophobicContact CG-CG1 3.65Å; F73-I443 HydrophobicContact CZ-CD1 3.94Å; F73-I443 HydrophobicContact CZ-CG1 3.84Å; S440-I443 WeakPolarHBondContact O-CG2 3.44Å; D441-I443 PolarHBondContact O-N 3.45Å; D441-I443 VanDerWaalsContact O-N 3.15Å; I443-D445 VanDerWaalsContact C-N 3.28Å; I443-D445 PolarHBondContact O-N 3.08Å; I443-L446 PolarHBondContact O-N 3.14Å; I443-W447 HydrophobicContact CD1-CH2 4.12Å; I443-W447 HydrophobicContact CD1-CZ2 3.59Å; I443-W447 HydrophobicContact CG1-CZ2 4.02Å; I443-W447 PolarHBondContact O-NE1 2.96Å
444N90.3Very high92.9Very high80 Ų8067.7 Ų67.743%0.42836%0.363SS..THydrogen-bonded Turntrans-59.6-35.5-166.5-76-35.3000113.7D441D441-N444 WeakPolarHBondContact O-CB 3.46Å; D441-N444 PolarHBondContact O-N 3.22Å; D441-N444 PolarHBondContact O-ND2 3.21Å; D441-N444 PolarHBondContact OD1-ND2 2.74Å
445D92Very high92.9Very high141 Ų14175 Ų7575%0.75439%0.393SS*.THydrogen-bonded Turntrans-93.4-5.9-179.8-64.4-34.5000113.7I443I443-D445 VanDerWaalsContact C-N 3.28Å; I443-D445 PolarHBondContact O-N 3.08Å
446L95.9Very high92.9Very high44 Ų4469 Ų6923%0.2337%0.373CS..THydrogen-bonded Turntrans-97.6-1.4-172.8-56.4-177.6000113.6F73 L442 I443 I448 K464 P466F73-L446 HydrophobicContact CD2-CB 3.74Å; F73-L446 HydrophobicContact CE2-CB 3.58Å; F73-L446 HydrophobicContact CE2-CD1 3.8Å; F73-L446 HydrophobicContact CE2-CG 4.37Å; L442-L446 WeakPolarHBondContact O-CD1 3.49Å; I443-L446 PolarHBondContact O-N 3.14Å; L446-I448 PolarHBondContact O-N 3.46Å; L446-K464 WeakPolarHBondContact CD2-O 3.33Å; L446-P466 HydrophobicContact CD1-CB 3.93Å; L446-P466 HydrophobicContact CD1-CG 4.49Å
447W97Very high92.9Very high8 Ų865.6 Ų65.63%0.0336%0.359CS..PPolyproline II helixtrans-71.1127.7176-66.995.7000111.7R42 I44 R71 F73 L438 I443 K464R42-W447 HydrophobicContact CB-CE3 4.01Å; R42-W447 HydrophobicContact CB-CH2 3.83Å; R42-W447 HydrophobicContact CB-CZ3 3.49Å; R42-W447 VanDerWaalsContact CB-CZ3 3.49Å; R42-W447 HydrophobicContact CG-CZ3 4.41Å; I44-W447 HydrophobicContact CD1-CH2 4.36Å; I44-W447 HydrophobicContact CG1-CH2 3.81Å; I44-W447 HydrophobicContact CG1-CZ3 4.31Å; R71-W447 HydrophobicContact CB-CB 4.12Å; R71-W447 HydrophobicContact CB-CD2 4.36Å; R71-W447 HydrophobicContact CB-CE3 3.84Å; R71-W447 HydrophobicContact CG-CB 4.48Å; F73-W447 HydrophobicContact CB-CD2 4.1Å; F73-W447 HydrophobicContact CB-CE3 3.61Å; F73-W447 HydrophobicContact CB-CH2 4.05Å; F73-W447 HydrophobicContact CB-CZ2 4.49Å; F73-W447 HydrophobicContact CB-CZ3 3.57Å; L438-W447 HydrophobicContact CD2-CH2 4.03Å; L438-W447 HydrophobicContact CD2-CZ2 3.88Å; I443-W447 HydrophobicContact CD1-CH2 4.12Å; I443-W447 HydrophobicContact CD1-CZ2 3.59Å; I443-W447 HydrophobicContact CG1-CZ2 4.02Å; I443-W447 PolarHBondContact O-NE1 2.96Å; W447-K464 PolarHBondContact O-NZ 3.02Å
448I97.9Very high93Very high3 Ų365 Ų652%0.01536%0.355CS..BIsolated β-bridgetrans-89.5126172.5-56.8170.7000109L64 R71 V72 L446 W453 A460 L461 K464L64-I448 HydrophobicContact CD1-CG2 3.86Å; R71-I448 CarbonylContact C-O 3.37Å; R71-I448 VanDerWaalsContact CA-O 3.26Å; R71-I448 WeakPolarHBondContact CA-O 3.36Å; V72-I448 PolarHBondContact N-O 3.35Å; V72-I448 PolarHBondContact O-N 3.18Å; L446-I448 PolarHBondContact O-N 3.46Å; I448-W453 HydrophobicContact CG2-CB 4.13Å; I448-W453 HydrophobicContact CG2-CE3 4.37Å; I448-A460 HydrophobicContact CD1-CB 4.36Å; I448-A460 HydrophobicContact CG1-CB 4.48Å; I448-A460 HydrophobicContact CG2-CB 4.04Å; I448-L461 HydrophobicContact CD1-CD2 3.67Å; I448-L461 HydrophobicContact CD1-CG 4.09Å; I448-K464 HydrophobicContact CG1-CB 4.13Å; I448-K464 HydrophobicContact CG1-CD 3.98Å
449T97.8Very high93.1Very high27 Ų2763.6 Ų63.617%0.16634%0.343CS..PPolyproline II helixtrans-93.3158.7175.465.70000111.7R71 A451 E452 W453R71-T449 HydrophobicContact CG-CG2 4.19Å; T449-A451 PolarHBondContact O-N 2.97Å; T449-E452 PolarHBondContact N-OE2 2.87Å; T449-E452 PolarHBondContact O-N 2.8Å; T449-E452 WeakPolarHBondContact OG1-CB 3.32Å; T449-E452 WeakPolarHBondContact OG1-CG 3.46Å; T449-E452 PolarHBondContact OG1-N 2.84Å; T449-E452 PolarHBondContact OG1-OE2 3.17Å; T449-W453 PolarHBondContact O-N 3.17Å
450P97.8Very high93.4Very high39 Ų3958.1 Ų58.125%0.25331%0.31SS..Hα-helixtrans-57.5-36.3173.6-25.633000113.3L64 G70 N454L64-P450 HydrophobicContact CB-CG 4.45Å; L64-P450 HydrophobicContact CD2-CG 4.01Å; G70-P450 WeakPolarHBondContact O-CD 3.32Å; P450-N454 WeakPolarHBondContact O-CB 3.39Å; P450-N454 PolarHBondContact O-N 3.43Å; P450-N454 PolarHBondContact O-ND2 3.35Å
451A97.4Very high93.7Very high73 Ų7356.5 Ų56.560%0.60330%0.298SS*.Hα-helixtrans-66.8-42.2178.600000112.1T449 K455T449-A451 PolarHBondContact O-N 2.97Å; A451-K455 VanDerWaalsContact O-CB 3.32Å; A451-K455 WeakPolarHBondContact O-CB 3.21Å; A451-K455 PolarHBondContact O-N 2.64Å; A451-K455 VanDerWaalsContact O-N 3.17Å
452E96.6Very high93.8Very high55 Ų5551.9 Ų51.926%0.25727%0.271SS..Hα-helixtrans-66.1-45.4175-70.6162.715500111.2T449 N454 K455 F456 K464T449-E452 PolarHBondContact N-OE2 2.87Å; T449-E452 PolarHBondContact O-N 2.8Å; T449-E452 WeakPolarHBondContact OG1-CB 3.32Å; T449-E452 WeakPolarHBondContact OG1-CG 3.46Å; T449-E452 PolarHBondContact OG1-N 2.84Å; T449-E452 PolarHBondContact OG1-OE2 3.17Å; E452-N454 PolarHBondContact O-N 3.04Å; E452-K455 PolarHBondContact O-N 3.06Å; E452-K455 VanDerWaalsContact O-N 3.17Å; E452-F456 HydrophobicContact CB-CD2 4.32Å; E452-F456 WeakPolarHBondContact O-CB 3.41Å; E452-F456 WeakPolarHBondContact O-CD2 3.48Å; E452-F456 PolarHBondContact O-N 3.13Å; E452-K464 IonicContact OE1-NZ 3.73Å; E452-K464 PolarHBondContact OE1-NZ 2.92Å; E452-K464 IonicContact OE2-NZ 2.76Å; E452-K464 PolarHBondContact OE2-NZ 3.31Å
453W96.3Very high94.2Very high17 Ų1750.7 Ų50.76%0.06426%0.262CS..Hα-helixtrans-60.7-44.7178.6-176.6-106.3000112.4R57 V60 H61 L64 N65 I448 T449 K455 G457 A460 L461R57-W453 HydrophobicContact CB-CH2 4.14Å; R57-W453 HydrophobicContact CB-CZ2 4.45Å; R57-W453 HydrophobicContact CG-CH2 4.18Å; R57-W453 VanDerWaalsContact O-CZ2 3.32Å; R57-W453 WeakPolarHBondContact O-CZ2 3.41Å; V60-W453 HydrophobicContact CB-CH2 3.93Å; V60-W453 HydrophobicContact CB-CZ2 4.06Å; V60-W453 HydrophobicContact CB-CZ3 4.18Å; V60-W453 HydrophobicContact CG1-CD2 3.73Å; V60-W453 HydrophobicContact CG1-CE3 3.57Å; V60-W453 HydrophobicContact CG1-CG 4.48Å; V60-W453 HydrophobicContact CG1-CH2 3.84Å; V60-W453 HydrophobicContact CG1-CZ2 3.98Å; V60-W453 HydrophobicContact CG1-CZ3 3.64Å; H61-W453 HydrophobicContact CB-CZ2 4.14Å; H61-W453 AromaticContact CG-NE1 3.93Å; H61-W453 AromaticContact ND1-NE1 3.51Å; L64-W453 HydrophobicContact CD1-CB 3.52Å; L64-W453 HydrophobicContact CD1-CD2 4.27Å; L64-W453 HydrophobicContact CD1-CG 3.73Å; N65-W453 VanDerWaalsContact OD1-CD1 3.24Å; I448-W453 HydrophobicContact CG2-CB 4.13Å; I448-W453 HydrophobicContact CG2-CE3 4.37Å; T449-W453 PolarHBondContact O-N 3.17Å; W453-K455 VanDerWaalsContact C-N 3.25Å; W453-K455 PolarHBondContact O-N 3.01Å; W453-G457 VanDerWaalsContact CZ3-O 3.25Å; W453-G457 WeakPolarHBondContact CZ3-O 3.29Å; W453-G457 WeakPolarHBondContact O-CA 3.33Å; W453-G457 PolarHBondContact O-N 3.14Å; W453-A460 HydrophobicContact CE3-CB 4.28Å; W453-L461 HydrophobicContact CH2-CD1 3.98Å; W453-L461 HydrophobicContact CZ3-CD1 3.82Å; W453-L461 HydrophobicContact CZ3-CG 4.02Å
454N95.1Very high94.4Very high104 Ų10452.3 Ų52.356%0.55627%0.269SS*.Hα-helixtrans-66.8-26.8177.6-72-31000113.3N65 P450 E452N65-N454 PolarHBondContact ND2-OD1 3.43Å; P450-N454 WeakPolarHBondContact O-CB 3.39Å; P450-N454 PolarHBondContact O-N 3.43Å; P450-N454 PolarHBondContact O-ND2 3.35Å; E452-N454 PolarHBondContact O-N 3.04Å
455K94.3Very high94.6Very high159 Ų15949.3 Ų49.369%0.69126%0.255SS*.Hα-helixtrans-87-39.5-179.5-176.1175.5175.9-178.10112.8A451 E452 W453A451-K455 VanDerWaalsContact O-CB 3.32Å; A451-K455 WeakPolarHBondContact O-CB 3.21Å; A451-K455 PolarHBondContact O-N 2.64Å; A451-K455 VanDerWaalsContact O-N 3.17Å; E452-K455 PolarHBondContact O-N 3.06Å; E452-K455 VanDerWaalsContact O-N 3.17Å; W453-K455 VanDerWaalsContact C-N 3.25Å; W453-K455 PolarHBondContact O-N 3.01Å
456F92.2Very high94.6Very high70 Ų7044.7 Ų44.731%0.30723%0.233SC..Hα-helixtrans-116.3-15.1-167.8-58.6-62.1000114.4E452 R459E452-F456 HydrophobicContact CB-CD2 4.32Å; E452-F456 WeakPolarHBondContact O-CB 3.41Å; E452-F456 WeakPolarHBondContact O-CD2 3.48Å; E452-F456 PolarHBondContact O-N 3.13Å; F456-R459 HydrophobicContact CB-CB 4.34Å; F456-R459 WeakPolarHBondContact O-CB 3.4Å; F456-R459 PolarHBondContact O-N 2.7Å
457G92Very high94.5Very high15 Ų1543.1 Ų43.116%0.15522%0.224CC..THydrogen-bonded Turntrans58.4-138.3-179.300000112.8W453 R459 A460W453-G457 VanDerWaalsContact CZ3-O 3.25Å; W453-G457 WeakPolarHBondContact CZ3-O 3.29Å; W453-G457 WeakPolarHBondContact O-CA 3.33Å; W453-G457 PolarHBondContact O-N 3.14Å; G457-R459 PolarHBondContact O-N 3.37Å; G457-R459 VanDerWaalsContact O-N 3.14Å; G457-A460 WeakPolarHBondContact O-CB 3.22Å; G457-A460 PolarHBondContact O-N 3.46Å
458S90.6Very high94Very high0 Ų046 Ų460%024%0.244CC..THydrogen-bonded Turntrans-55.9-27.8-179.9680000114.3E257 D259 A460 L461 R462E257-S458 WeakPolarHBondContact OE2-CB 3.5Å; E257-S458 PolarHBondContact OE2-OG 2.72Å; D259-S458 WeakPolarHBondContact OD1-CB 3.34Å; D259-S458 PolarHBondContact OD1-OG 3.09Å; D259-S458 VanDerWaalsContact OD1-OG 3.06Å; D259-S458 WeakPolarHBondContact OD2-CB 3.34Å; D259-S458 PolarHBondContact OD2-N 2.74Å; D259-S458 PolarHBondContact OD2-OG 2.76Å; S458-A460 PolarHBondContact O-N 3.35Å; S458-A460 VanDerWaalsContact O-N 3.13Å; S458-L461 WeakPolarHBondContact O-CA 3.38Å; S458-L461 VanDerWaalsContact O-CB 3.32Å; S458-L461 WeakPolarHBondContact O-CB 3.39Å; S458-L461 PolarHBondContact O-N 3.32Å; S458-R462 PolarHBondContact O-N 2.8Å
459R91.9Very high93.5Very high74 Ų7446.1 Ų46.128%0.27924%0.244SC..Hα-helixtrans-56.3-31175.9-178.4179.1165.1173-0.2112.4F456 G457 L461 R462 E463F456-R459 HydrophobicContact CB-CB 4.34Å; F456-R459 WeakPolarHBondContact O-CB 3.4Å; F456-R459 PolarHBondContact O-N 2.7Å; G457-R459 PolarHBondContact O-N 3.37Å; G457-R459 VanDerWaalsContact O-N 3.14Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 2.82Å; R459-R462 WeakPolarHBondContact O-CB 3.22Å; R459-R462 PolarHBondContact O-N 3.38Å; R459-R462 VanDerWaalsContact O-N 3.15Å; R459-E463 HydrophobicContact CG-CG 4.37Å; R459-E463 IonicContact CZ-OE1 3.21Å; R459-E463 IonicContact NE-OE1 3.29Å; R459-E463 PolarHBondContact NE-OE1 2.8Å; R459-E463 IonicContact NH2-OE1 2.8Å; R459-E463 PolarHBondContact NH2-OE1 2.99Å; R459-E463 PolarHBondContact O-N 3.46Å
460A94.6Very high93.3Very high4 Ų447.1 Ų47.13%0.03325%0.248CC..Hα-helixtrans-61.5-34.5174.300000112.4I448 W453 G457 S458 K464I448-A460 HydrophobicContact CD1-CB 4.36Å; I448-A460 HydrophobicContact CG1-CB 4.48Å; I448-A460 HydrophobicContact CG2-CB 4.04Å; W453-A460 HydrophobicContact CE3-CB 4.28Å; G457-A460 WeakPolarHBondContact O-CB 3.22Å; G457-A460 PolarHBondContact O-N 3.46Å; S458-A460 PolarHBondContact O-N 3.35Å; S458-A460 VanDerWaalsContact O-N 3.13Å; A460-K464 WeakPolarHBondContact O-CB 3.5Å; A460-K464 PolarHBondContact O-N 3.48Å
461L94.5Very high93.1Very high1 Ų147.5 Ų47.51%0.00525%0.248CC..Hα-helixtrans-70.8-42.1173.2-70.2161.5000110.8I56 R57 V60 V74 I448 W453 S458 R459 E463 K464 A465 W469I56-L461 HydrophobicContact CG2-CD1 4.37Å; R57-L461 HydrophobicContact CG-CD1 4.19Å; V60-L461 HydrophobicContact CG2-CD1 4.33Å; V60-L461 HydrophobicContact CG2-CD2 4.14Å; V74-L461 HydrophobicContact CB-CD2 4.18Å; V74-L461 HydrophobicContact CG2-CD2 3.7Å; I448-L461 HydrophobicContact CD1-CD2 3.67Å; I448-L461 HydrophobicContact CD1-CG 4.09Å; W453-L461 HydrophobicContact CH2-CD1 3.98Å; W453-L461 HydrophobicContact CZ3-CD1 3.82Å; W453-L461 HydrophobicContact CZ3-CG 4.02Å; S458-L461 WeakPolarHBondContact O-CA 3.38Å; S458-L461 VanDerWaalsContact O-CB 3.32Å; S458-L461 WeakPolarHBondContact O-CB 3.39Å; S458-L461 PolarHBondContact O-N 3.32Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 2.82Å; L461-E463 PolarHBondContact O-N 3.07Å; L461-K464 PolarHBondContact O-N 2.97Å; L461-A465 WeakPolarHBondContact O-CB 3.5Å; L461-A465 PolarHBondContact O-N 2.96Å; L461-W469 HydrophobicContact CB-CD2 3.84Å; L461-W469 HydrophobicContact CB-CE3 4.19Å; L461-W469 HydrophobicContact CB-CG 4.19Å; L461-W469 HydrophobicContact CB-CZ2 4.25Å; L461-W469 HydrophobicContact CD1-CH2 3.67Å; L461-W469 HydrophobicContact CD1-CZ2 3.7Å; L461-W469 HydrophobicContact CD1-CZ3 4.15Å
462R91.3Very high92.8Very high38 Ų3846.1 Ų46.114%0.14323%0.228CC..Hα-helixtrans-57.4-38.2176-160.3-168.4-53.5-96.48.8112.7E257 D260 D263 Y266 S458 R459E257-R462 IonicContact OE1-CZ 3.82Å; E257-R462 IonicContact OE1-NH1 2.77Å; E257-R462 IonicContact OE1-NH2 3.13Å; E257-R462 IonicContact OE2-CZ 2.82Å; E257-R462 IonicContact OE2-NH2 3.82Å; E257-R462 PolarHBondContact OE2-NH2 2.88Å; E257-R462 VanDerWaalsContact OE2-NH2 3.09Å; D260-R462 IonicContact OD2-CZ 2.72Å; D260-R462 IonicContact OD2-NE 3.65Å; D260-R462 PolarHBondContact OD2-NE 3.21Å; D260-R462 IonicContact OD2-NH2 3.09Å; D260-R462 PolarHBondContact OD2-NH2 2.79Å; D263-R462 IonicContact OD1-CZ 2.9Å; D263-R462 IonicContact OD1-NH1 3.38Å; D263-R462 PolarHBondContact OD1-NH1 2.85Å; D263-R462 IonicContact OD1-NH2 3.08Å; D263-R462 PolarHBondContact OD1-NH2 3.44Å; Y266-R462 HydrophobicContact CE2-CG 4.38Å; S458-R462 PolarHBondContact O-N 2.8Å; R459-R462 WeakPolarHBondContact O-CB 3.22Å; R459-R462 PolarHBondContact O-N 3.38Å; R459-R462 VanDerWaalsContact O-N 3.15Å
463E91.9Very high92.6Very high107 Ų10745.6 Ų45.650%0.523%0.226SC..Hα-helixtrans-86.2-30.9-177.8-69.3-179.1177.600113.9R459 L461R459-E463 HydrophobicContact CG-CG 4.37Å; R459-E463 IonicContact CZ-OE1 3.21Å; R459-E463 IonicContact NE-OE1 3.29Å; R459-E463 PolarHBondContact NE-OE1 2.8Å; R459-E463 IonicContact NH2-OE1 2.8Å; R459-E463 PolarHBondContact NH2-OE1 2.99Å; R459-E463 PolarHBondContact O-N 3.46Å; L461-E463 PolarHBondContact O-N 3.07Å
464K95.3Very high92.4Very high40 Ų4047.4 Ų47.417%0.17424%0.237CC..Hα-helixtrans-115-9-171.6-65.1-170.1170.3-174.80115.6L446 W447 I448 E452 A460 L461L446-K464 WeakPolarHBondContact CD2-O 3.33Å; W447-K464 PolarHBondContact O-NZ 3.02Å; I448-K464 HydrophobicContact CG1-CB 4.13Å; I448-K464 HydrophobicContact CG1-CD 3.98Å; E452-K464 IonicContact OE1-NZ 3.73Å; E452-K464 PolarHBondContact OE1-NZ 2.92Å; E452-K464 IonicContact OE2-NZ 2.76Å; E452-K464 PolarHBondContact OE2-NZ 3.31Å; A460-K464 WeakPolarHBondContact O-CB 3.5Å; A460-K464 PolarHBondContact O-N 3.48Å; L461-K464 PolarHBondContact O-N 2.97Å
465A94.1Very high92.2Very high17 Ų1743.6 Ų43.614%0.1422%0.215CC..  trans-69.6131.4174.300000110.1L461 F467 W469L461-A465 WeakPolarHBondContact O-CB 3.5Å; L461-A465 PolarHBondContact O-N 2.96Å; A465-F467 HydrophobicContact CB-CD1 4.06Å; A465-F467 HydrophobicContact CB-CD2 4.48Å; A465-F467 HydrophobicContact CB-CE1 3.77Å; A465-F467 HydrophobicContact CB-CE2 4.23Å; A465-F467 HydrophobicContact CB-CG 4.41Å; A465-F467 HydrophobicContact CB-CZ 3.86Å; A465-F467 PolarHBondContact O-N 3.05Å; A465-W469 HydrophobicContact CB-CB 4.47Å
466P93Very high92Very high43 Ų4335.4 Ų35.428%0.27918%0.181SC..SBendtrans-76.319.2177.234.3-39.5000113.1F73 V74 H75 L446F73-P466 HydrophobicContact CE2-CG 4Å; F73-P466 HydrophobicContact CZ-CG 3.79Å; V74-P466 WeakPolarHBondContact O-CD 3.28Å; H75-P466 VanDerWaalsContact ND1-CG 3.3Å; H75-P466 WeakPolarHBondContact ND1-CG 3.45Å; L446-P466 HydrophobicContact CD1-CB 3.93Å; L446-P466 HydrophobicContact CD1-CG 4.49Å
467F91.9Very high92Very high11 Ų1132.7 Ų32.75%0.04817%0.172CC..SBendtrans-140156.5178.455.3-88.2000108.1I47 Y51 V74 Q76 A465 W469I47-F467 HydrophobicContact CD1-CE1 4.29Å; I47-F467 HydrophobicContact CD1-CE2 4.08Å; I47-F467 HydrophobicContact CD1-CZ 3.58Å; Y51-F467 HydrophobicContact CE1-CD2 4.2Å; Y51-F467 AromaticContact CE1-CE2 3.84Å; Y51-F467 HydrophobicContact CE1-CE2 3.84Å; Y51-F467 HydrophobicContact CE2-CE2 4.4Å; Y51-F467 AromaticContact CZ-CE2 3.64Å; Y51-F467 WeakPolarHBondContact OH-CE2 3.42Å; V74-F467 HydrophobicContact CG1-CE1 4.38Å; V74-F467 HydrophobicContact CG1-CZ 4.22Å; Q76-F467 HydrophobicContact CG-CB 4.43Å; Q76-F467 HydrophobicContact CG-CD1 3.9Å; Q76-F467 HydrophobicContact CG-CD2 4.31Å; Q76-F467 HydrophobicContact CG-CE1 4.21Å; Q76-F467 HydrophobicContact CG-CG 3.96Å; A465-F467 HydrophobicContact CB-CD1 4.06Å; A465-F467 HydrophobicContact CB-CD2 4.48Å; A465-F467 HydrophobicContact CB-CE1 3.77Å; A465-F467 HydrophobicContact CB-CE2 4.23Å; A465-F467 HydrophobicContact CB-CG 4.41Å; A465-F467 HydrophobicContact CB-CZ 3.86Å; A465-F467 PolarHBondContact O-N 3.05Å; F467-W469 AromaticContact CE2-CE3 3.93Å; F467-W469 HydrophobicContact CE2-CE3 3.93Å; F467-W469 HydrophobicContact CZ-CE3 4.29Å; F467-W469 PolarHBondContact O-N 2.99Å
468P86.8Confident92Very high70 Ų7034.2 Ų34.246%0.45517%0.173SC..  trans-60.399.8173.2-20.532.6000109.4Y51Y51-P468 PolarHBondContact OH-O 3.06Å; Y51-P468 VanDerWaalsContact OH-O 3.13Å
469W88.5Confident92.2Very high5 Ų537.3 Ų37.32%0.01919%0.189CC..  trans-60.40174.8176-111.4000109.2Y51 R53 I56 R57 S252 E257 L461 A465 F467Y51-W469 HydrophobicContact CD2-CZ3 4.08Å; Y51-W469 AromaticContact CE2-CE3 3.81Å; Y51-W469 HydrophobicContact CE2-CE3 3.81Å; Y51-W469 HydrophobicContact CE2-CH2 4.43Å; Y51-W469 AromaticContact CE2-CZ3 3.64Å; Y51-W469 HydrophobicContact CE2-CZ3 3.64Å; Y51-W469 PolarHBondContact OH-O 2.99Å; Y51-W469 VanDerWaalsContact OH-O 3.12Å; R53-W469 HydrophobicContact CB-CH2 3.74Å; R53-W469 HydrophobicContact CB-CZ2 3.54Å; R53-W469 HydrophobicContact CG-CD2 4.4Å; R53-W469 HydrophobicContact CG-CH2 3.75Å; R53-W469 HydrophobicContact CG-CZ2 3.55Å; R53-W469 HydrophobicContact CG-CZ3 4.25Å; R53-W469 PolarHBondContact NE-O 3.09Å; R53-W469 PolarHBondContact NH2-O 3.22Å; R53-W469 PolarHBondContact NH2-OXT 2.87Å; I56-W469 HydrophobicContact CB-CH2 3.79Å; I56-W469 HydrophobicContact CB-CZ3 3.99Å; I56-W469 HydrophobicContact CG1-CH2 4.44Å; I56-W469 HydrophobicContact CG1-CZ3 4.32Å; I56-W469 HydrophobicContact CG2-CH2 3.93Å; I56-W469 HydrophobicContact CG2-CZ3 3.84Å; R57-W469 HydrophobicContact CG-CZ2 4.19Å; S252-W469 WeakPolarHBondContact CB-OXT 3.36Å; S252-W469 PolarHBondContact OG-OXT 2.93Å; E257-W469 PolarHBondContact OE1-NE1 3.45Å; L461-W469 HydrophobicContact CB-CD2 3.84Å; L461-W469 HydrophobicContact CB-CE3 4.19Å; L461-W469 HydrophobicContact CB-CG 4.19Å; L461-W469 HydrophobicContact CB-CZ2 4.25Å; L461-W469 HydrophobicContact CD1-CH2 3.67Å; L461-W469 HydrophobicContact CD1-CZ2 3.7Å; L461-W469 HydrophobicContact CD1-CZ3 4.15Å; A465-W469 HydrophobicContact CB-CB 4.47Å; F467-W469 AromaticContact CE2-CE3 3.93Å; F467-W469 HydrophobicContact CE2-CE3 3.93Å; F467-W469 HydrophobicContact CZ-CE3 4.29Å; F467-W469 PolarHBondContact O-N 2.99Å

Retrieved 469 of 469 residues in 159.5 ms (Link to these results)

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