A0A5K4FDT6_SCHMA Loading...

EF-hand domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FDT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 965 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
1M33.5Very low63.9Low251 Ų25175.5 Ų75.5100%1.23641%0.414SS*.  0780-69.3-167.3-136.500109.3
2A42Very low64.9Low79 Ų7976.6 Ų76.665%0.65341%0.409SS*.  trans-94.7131.9167.500000106.7D4A2-D4 PolarHBondContact O-N 2.67Å
3L48Very low66Low162 Ų16270.7 Ų70.785%0.84838%0.377SS*.  trans-62.4110172.3-87.299.5000107.9T5L3-T5 PolarHBondContact O-N 3.21Å
4D58.5Low66.5Low54 Ų5466.8 Ų66.829%0.28936%0.355SS..  trans-61.7101.9172.4-78.5-4.6000108.2A2 V9 Q60 L63A2-D4 PolarHBondContact O-N 2.67Å; D4-V9 HydrophobicContact CB-CG2 4.3Å; D4-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D4-Q60 PolarHBondContact OD2-NE2 3.4Å; D4-L63 HydrophobicContact CB-CD1 4.23Å; D4-L63 WeakPolarHBondContact O-CD1 3.25Å
5T70Confident66.7Low72 Ų7264.8 Ų64.844%0.44234%0.344SS..  trans-77.4150.8167.956.30000108.2L3 Q7 I8 V9L3-T5 PolarHBondContact O-N 3.21Å; T5-Q7 PolarHBondContact O-N 3.41Å; T5-I8 PolarHBondContact O-N 3.37Å; T5-I8 WeakPolarHBondContact OG1-CD1 3.33Å; T5-I8 VanDerWaalsContact OG1-CG1 3.28Å; T5-I8 WeakPolarHBondContact OG1-CG1 3.46Å; T5-I8 PolarHBondContact OG1-N 2.72Å; T5-V9 PolarHBondContact O-N 3.02Å
6V73.9Confident67.1Low39 Ų3962.3 Ų62.324%0.23633%0.331CS..Hα-helixtrans-50.7-33.9175.5-174.20000110.7V9 E10 L63 K67V6-V9 PolarHBondContact O-N 2.93Å; V6-E10 HydrophobicContact CG1-CG 4.34Å; V6-E10 WeakPolarHBondContact O-CB 3.39Å; V6-E10 WeakPolarHBondContact O-CG 3.22Å; V6-E10 PolarHBondContact O-N 3.3Å; V6-L63 HydrophobicContact CG2-CB 4.08Å; V6-L63 HydrophobicContact CG2-CD2 3.88Å; V6-K67 HydrophobicContact CG1-CB 4.46Å; V6-K67 HydrophobicContact CG1-CD 3.64Å
7Q72.9Confident67.3Low86 Ų8659.4 Ų59.440%0.40232%0.317SS..Hα-helixtrans-65.4-41.3176.7-162.565.738.400113.7T5 V9 E10 N11T5-Q7 PolarHBondContact O-N 3.41Å; Q7-V9 VanDerWaalsContact C-N 3.3Å; Q7-V9 PolarHBondContact O-N 2.81Å; Q7-E10 PolarHBondContact O-N 3.14Å; Q7-N11 PolarHBondContact NE2-OD1 3.26Å; Q7-N11 VanDerWaalsContact O-CB 3.26Å; Q7-N11 WeakPolarHBondContact O-CB 3.34Å; Q7-N11 PolarHBondContact O-N 2.96Å; Q7-N11 PolarHBondContact O-ND2 3.04Å; Q7-N11 PolarHBondContact O-OD1 3.02Å
8I75.6Confident67.4Low75 Ų7563.2 Ų63.239%0.38533%0.331SS..Hα-helixtrans-62.7-42.4176.3-70.5165.3000109.7T5 N11 Y12T5-I8 PolarHBondContact O-N 3.37Å; T5-I8 WeakPolarHBondContact OG1-CD1 3.33Å; T5-I8 VanDerWaalsContact OG1-CG1 3.28Å; T5-I8 WeakPolarHBondContact OG1-CG1 3.46Å; T5-I8 PolarHBondContact OG1-N 2.72Å; I8-N11 PolarHBondContact O-N 3.46Å; I8-Y12 WeakPolarHBondContact O-CB 3.44Å; I8-Y12 PolarHBondContact O-N 3.29Å
9V76.7Confident67.3Low1 Ų165.9 Ų65.91%0.00635%0.346CS..Hα-helixtrans-65.8-45.3177.6-176.70000111.1D4 T5 V6 Q7 N11 Y12 I13 L56 Q60 L63 I64D4-V9 HydrophobicContact CB-CG2 4.3Å; T5-V9 PolarHBondContact O-N 3.02Å; V6-V9 PolarHBondContact O-N 2.93Å; Q7-V9 VanDerWaalsContact C-N 3.3Å; Q7-V9 PolarHBondContact O-N 2.81Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 3.4Å; V9-Y12 WeakPolarHBondContact O-CB 3.27Å; V9-Y12 PolarHBondContact O-N 2.75Å; V9-I13 HydrophobicContact CG1-CD1 4.1Å; V9-I13 VanDerWaalsContact O-CG1 3.25Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.47Å; V9-L56 HydrophobicContact CG1-CD2 3.92Å; V9-Q60 HydrophobicContact CG1-CB 3.98Å; V9-Q60 HydrophobicContact CG1-CG 4.49Å; V9-Q60 HydrophobicContact CG2-CB 3.89Å; V9-Q60 HydrophobicContact CG2-CG 3.7Å; V9-L63 HydrophobicContact CG2-CD1 4.44Å; V9-I64 HydrophobicContact CG1-CD1 3.96Å; V9-I64 HydrophobicContact CG1-CG1 4.27Å
10E79.3Confident67.5Low3 Ų369.3 Ų69.31%0.01435%0.353CS..Hα-helixtrans-63.4-38.2175.9-74.7176173.400112.4V6 Q7 I13 R14 K67 Y68 I85V6-E10 HydrophobicContact CG1-CG 4.34Å; V6-E10 WeakPolarHBondContact O-CB 3.39Å; V6-E10 WeakPolarHBondContact O-CG 3.22Å; V6-E10 PolarHBondContact O-N 3.3Å; Q7-E10 PolarHBondContact O-N 3.14Å; E10-I13 PolarHBondContact O-N 3.16Å; E10-R14 VanDerWaalsContact O-CB 3.29Å; E10-R14 WeakPolarHBondContact O-CB 3.36Å; E10-R14 PolarHBondContact O-N 2.74Å; E10-K67 VanDerWaalsContact CD-NZ 3.26Å; E10-K67 WeakPolarHBondContact OE1-CD 3.46Å; E10-K67 WeakPolarHBondContact OE1-CE 3.25Å; E10-K67 IonicContact OE1-NZ 2.82Å; E10-K67 PolarHBondContact OE1-NZ 2.73Å; E10-K67 IonicContact OE2-NZ 2.67Å; E10-K67 PolarHBondContact OE2-NZ 3.11Å; E10-Y68 WeakPolarHBondContact OE1-CE2 3.37Å; E10-Y68 PolarHBondContact OE1-OH 2.7Å; E10-I85 HydrophobicContact CB-CD1 4.08Å; E10-I85 HydrophobicContact CG-CD1 4.14Å
11N72.4Confident67.6Low8 Ų876.5 Ų76.54%0.04338%0.376CS..Hα-helixtrans-67-43.2175.4-71.9-7000111.3Q7 I8 V9 I13 R14 D15 T105Q7-N11 PolarHBondContact NE2-OD1 3.26Å; Q7-N11 VanDerWaalsContact O-CB 3.26Å; Q7-N11 WeakPolarHBondContact O-CB 3.34Å; Q7-N11 PolarHBondContact O-N 2.96Å; Q7-N11 PolarHBondContact O-ND2 3.04Å; Q7-N11 PolarHBondContact O-OD1 3.02Å; I8-N11 PolarHBondContact O-N 3.46Å; V9-N11 VanDerWaalsContact C-N 3.34Å; V9-N11 PolarHBondContact O-N 3.4Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.44Å; N11-R14 PolarHBondContact O-N 3.32Å; N11-R14 VanDerWaalsContact O-N 3.12Å; N11-R14 PolarHBondContact OD1-NH1 3.3Å; N11-D15 PolarHBondContact O-N 2.9Å; N11-T105 HydrophobicContact CB-CG2 4.11Å
12Y76.4Confident69.4Low89 Ų8965.9 Ų65.935%0.34933%0.326SS..Hα-helixtrans-58.1-45.3173.9176.2-104.8000111.7I8 V9 R14 D15 I16 L56I8-Y12 WeakPolarHBondContact O-CB 3.44Å; I8-Y12 PolarHBondContact O-N 3.29Å; V9-Y12 WeakPolarHBondContact O-CB 3.27Å; V9-Y12 PolarHBondContact O-N 2.75Å; Y12-R14 VanDerWaalsContact C-N 3.35Å; Y12-R14 PolarHBondContact O-N 2.83Å; Y12-D15 PolarHBondContact O-N 2.68Å; Y12-I16 HydrophobicContact CD1-CD1 4.17Å; Y12-I16 HydrophobicContact CD2-CD1 4.2Å; Y12-I16 HydrophobicContact CE1-CD1 3.58Å; Y12-I16 HydrophobicContact CE2-CD1 3.63Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.21Å; Y12-I16 PolarHBondContact O-N 3.25Å; Y12-I16 VanDerWaalsContact O-N 3.15Å; Y12-I16 WeakPolarHBondContact OH-CD1 3.48Å; Y12-L56 HydrophobicContact CD1-CD2 4.4Å
13I78.7Confident70.9Confident0 Ų069.5 Ų69.50%032%0.323CS..Hα-helixtrans-63.2-41.7174.9-65.8169.3000110.8V9 E10 N11 A17 F24 L48 I52 L56 I64 F81 I85V9-I13 HydrophobicContact CG1-CD1 4.1Å; V9-I13 VanDerWaalsContact O-CG1 3.25Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.47Å; E10-I13 PolarHBondContact O-N 3.16Å; N11-I13 VanDerWaalsContact C-N 3.33Å; N11-I13 PolarHBondContact O-N 3.44Å; I13-A17 WeakPolarHBondContact O-CB 3.43Å; I13-A17 PolarHBondContact O-N 3.32Å; I13-F24 HydrophobicContact CG2-CZ 3.9Å; I13-L48 HydrophobicContact CD1-CD2 4.48Å; I13-L48 HydrophobicContact CG2-CD2 4.32Å; I13-I52 HydrophobicContact CB-CD1 4.32Å; I13-I52 HydrophobicContact CD1-CD1 4.43Å; I13-I52 HydrophobicContact CG1-CD1 3.77Å; I13-I52 HydrophobicContact CG2-CD1 3.97Å; I13-L56 HydrophobicContact CD1-CD1 4.24Å; I13-L56 HydrophobicContact CD1-CD2 4.28Å; I13-L56 HydrophobicContact CG1-CD2 4.29Å; I13-I64 HydrophobicContact CD1-CD1 3.84Å; I13-F81 HydrophobicContact CD1-CE2 4.46Å; I13-F81 HydrophobicContact CD1-CZ 4.43Å; I13-F81 HydrophobicContact CG2-CZ 4.28Å; I13-I85 HydrophobicContact CG2-CD1 4.26Å; I13-I85 HydrophobicContact CG2-CG2 4.4Å
14R73.9Confident72.3Confident16 Ų1662 Ų626%0.0628%0.283CS..Hα-helixtrans-66.8-39-179.9-164.2179.1-64.4106.3-0.2112.4E10 N11 Y12 A17 K18 E84 T105E10-R14 VanDerWaalsContact O-CB 3.29Å; E10-R14 WeakPolarHBondContact O-CB 3.36Å; E10-R14 PolarHBondContact O-N 2.74Å; N11-R14 PolarHBondContact O-N 3.32Å; N11-R14 VanDerWaalsContact O-N 3.12Å; N11-R14 PolarHBondContact OD1-NH1 3.3Å; Y12-R14 VanDerWaalsContact C-N 3.35Å; Y12-R14 PolarHBondContact O-N 2.83Å; R14-A17 PolarHBondContact O-N 3.21Å; R14-K18 PolarHBondContact O-N 2.92Å; R14-E84 PolarHBondContact NH2-O 2.84Å; R14-T105 HydrophobicContact CB-CG2 4.18Å; R14-T105 HydrophobicContact CG-CG2 4.29Å
15D68.1Low73.3Confident37 Ų3761.6 Ų61.620%0.19828%0.281CS..Hα-helixtrans-67.7-44.4178.5-71.6-19.6000111N11 Y12 A17 K18 D19 T105N11-D15 PolarHBondContact O-N 2.9Å; Y12-D15 PolarHBondContact O-N 2.68Å; D15-A17 VanDerWaalsContact C-N 3.35Å; D15-A17 PolarHBondContact O-N 3.14Å; D15-K18 PolarHBondContact O-N 3.35Å; D15-D19 WeakPolarHBondContact O-CB 3.41Å; D15-D19 PolarHBondContact O-N 3Å; D15-T105 VanDerWaalsContact OD1-CB 3.3Å; D15-T105 WeakPolarHBondContact OD1-CB 3.25Å; D15-T105 VanDerWaalsContact OD1-CG2 3.31Å; D15-T105 WeakPolarHBondContact OD1-CG2 3.38Å; D15-T105 PolarHBondContact OD1-OG1 3.03Å
16I73.5Confident73.9Confident25 Ų2563.1 Ų63.113%0.12828%0.284CS..Hα-helixtrans-67.3-37.3175.2-64.1173.9000111.2Y12 K18 D19 R20 I52Y12-I16 HydrophobicContact CD1-CD1 4.17Å; Y12-I16 HydrophobicContact CD2-CD1 4.2Å; Y12-I16 HydrophobicContact CE1-CD1 3.58Å; Y12-I16 HydrophobicContact CE2-CD1 3.63Å; Y12-I16 HydrophobicContact CG-CD1 4.45Å; Y12-I16 WeakPolarHBondContact O-CG1 3.21Å; Y12-I16 PolarHBondContact O-N 3.25Å; Y12-I16 VanDerWaalsContact O-N 3.15Å; Y12-I16 WeakPolarHBondContact OH-CD1 3.48Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.04Å; I16-D19 PolarHBondContact O-N 3.49Å; I16-R20 HydrophobicContact CG2-CG 4.34Å; I16-R20 WeakPolarHBondContact O-CB 3.47Å; I16-R20 PolarHBondContact O-N 3.39Å; I16-I52 HydrophobicContact CB-CG2 4.33Å; I16-I52 HydrophobicContact CD1-CG2 3.64Å; I16-I52 HydrophobicContact CG2-CB 4.39Å; I16-I52 HydrophobicContact CG2-CG2 3.87Å
17A71.6Confident74.2Confident13 Ų1363.9 Ų63.911%0.10729%0.286CS..Hα-helixtrans-63.9-37175.600000112.5I13 R14 D15 R21 C22 F24I13-A17 WeakPolarHBondContact O-CB 3.43Å; I13-A17 PolarHBondContact O-N 3.32Å; R14-A17 PolarHBondContact O-N 3.21Å; D15-A17 VanDerWaalsContact C-N 3.35Å; D15-A17 PolarHBondContact O-N 3.14Å; A17-R21 CarbonylContact O-C 3.54Å; A17-R21 VanDerWaalsContact O-CA 3.28Å; A17-R21 WeakPolarHBondContact O-CA 3.35Å; A17-R21 PolarHBondContact O-N 2.9Å; A17-C22 HydrophobicContact CB-CB 4.3Å; A17-C22 PolarHBondContact O-N 3.27Å; A17-F24 HydrophobicContact CB-CE2 3.45Å; A17-F24 VanDerWaalsContact CB-CE2 3.45Å; A17-F24 HydrophobicContact CB-CZ 3.74Å
18K69.1Low74.8Confident128 Ų12859.8 Ų59.856%0.55727%0.267SS*.Hα-helixtrans-67-46.6172.8-82.8-178.4177.1176.30111.8R14 D15 I16 R20 R21R14-K18 PolarHBondContact O-N 2.92Å; D15-K18 PolarHBondContact O-N 3.35Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.04Å; K18-R20 PolarHBondContact O-N 3.45Å; K18-R21 PolarHBondContact O-N 3.46Å
19D65.5Low75.1Confident115 Ų11559.5 Ų59.562%0.61526%0.264SS*.Hα-helixtrans-61.6-43.5-179.5-171.549.6000111.7D15 I16D15-D19 WeakPolarHBondContact O-CB 3.41Å; D15-D19 PolarHBondContact O-N 3Å; I16-D19 PolarHBondContact O-N 3.49Å
20R69.9Low75.4Confident132 Ų13265 Ų6550%0.49829%0.293SS..Hα-helixtrans-92.6-1.1-178.4-64-172.4178.1-158.21.3115.1I16 K18 C22 I52I16-R20 HydrophobicContact CG2-CG 4.34Å; I16-R20 WeakPolarHBondContact O-CB 3.47Å; I16-R20 PolarHBondContact O-N 3.39Å; K18-R20 PolarHBondContact O-N 3.45Å; R20-C22 VanDerWaalsContact C-N 3.29Å; R20-C22 VanDerWaalsContact CB-SG 3.54Å; R20-C22 PolarHBondContact O-N 3.3Å; R20-I52 PolarHBondContact NH1-O 3.23Å; R20-I52 VanDerWaalsContact NH1-O 3.11Å
21R70.7Confident75.5Confident222 Ų22267.2 Ų67.284%0.83830%0.302SS*.THydrogen-bonded Turntrans51.644.3-175.7-57.7-178.8177.9-172.9-1.5113A17 K18A17-R21 CarbonylContact O-C 3.54Å; A17-R21 VanDerWaalsContact O-CA 3.28Å; A17-R21 WeakPolarHBondContact O-CA 3.35Å; A17-R21 PolarHBondContact O-N 2.9Å; K18-R21 PolarHBondContact O-N 3.46Å
22C69.9Low76.1Confident27 Ų2767.2 Ų67.218%0.18230%0.302CS..  trans-71.3133.3-177-63.90000111.8A17 R20 L51A17-C22 HydrophobicContact CB-CB 4.3Å; A17-C22 PolarHBondContact O-N 3.27Å; R20-C22 VanDerWaalsContact C-N 3.29Å; R20-C22 VanDerWaalsContact CB-SG 3.54Å; R20-C22 PolarHBondContact O-N 3.3Å; C22-L51 HydrophobicContact CB-CD2 4.24Å; C22-L51 PolarHBondContact SG-O 2.94Å
23R73.5Confident76.1Confident156 Ų15669.7 Ų69.759%0.58932%0.321SS*.  trans-101.7100.5170.7-63.2-176.2-179.7-175.10.9109.3E26 N27R23-E26 HydrophobicContact CB-CB 4.49Å; R23-E26 HydrophobicContact CB-CG 4.43Å; R23-E26 VanDerWaalsContact CD-CD 3.47Å; R23-E26 WeakPolarHBondContact CD-OE1 3.24Å; R23-E26 WeakPolarHBondContact CD-OE2 3.35Å; R23-E26 IonicContact CZ-OE1 3.43Å; R23-E26 IonicContact NE-OE1 2.65Å; R23-E26 IonicContact NH1-OE1 2.75Å; R23-E26 PolarHBondContact NH1-OE1 3.23Å; R23-E26 IonicContact NH1-OE2 3.18Å; R23-N27 PolarHBondContact O-ND2 3.07Å
24F79Confident76.2Confident3 Ų377.2 Ų77.21%0.01336%0.361CS..Hα-helixtrans-70.2-40-176.6-69.1-78.7000111.6I13 A17 E26 N27 F28 L48 L51 F81 V82 I85 E86I13-F24 HydrophobicContact CG2-CZ 3.9Å; A17-F24 HydrophobicContact CB-CE2 3.45Å; A17-F24 VanDerWaalsContact CB-CE2 3.45Å; A17-F24 HydrophobicContact CB-CZ 3.74Å; F24-E26 PolarHBondContact O-N 3.32Å; F24-N27 PolarHBondContact O-N 2.9Å; F24-N27 VanDerWaalsContact O-N 3.13Å; F24-F28 HydrophobicContact CB-CD2 4.07Å; F24-F28 HydrophobicContact CB-CE2 3.99Å; F24-F28 HydrophobicContact CD1-CE2 4.08Å; F24-F28 HydrophobicContact CG-CE2 4.48Å; F24-F28 WeakPolarHBondContact O-CD2 3.39Å; F24-F28 PolarHBondContact O-N 2.92Å; F24-L48 HydrophobicContact CE1-CD2 3.99Å; F24-L51 HydrophobicContact CD1-CD1 3.42Å; F24-L51 VanDerWaalsContact CD1-CD1 3.42Å; F24-L51 HydrophobicContact CE1-CB 4.33Å; F24-L51 HydrophobicContact CE1-CD1 3.75Å; F24-L51 HydrophobicContact CG-CD1 4.33Å; F24-F81 HydrophobicContact CD1-CE1 4.26Å; F24-F81 HydrophobicContact CE1-CE1 4.43Å; F24-V82 HydrophobicContact CB-CG2 3.8Å; F24-I85 HydrophobicContact CD2-CG2 3.87Å; F24-I85 HydrophobicContact CE2-CG2 3.43Å; F24-I85 VanDerWaalsContact CE2-CG2 3.43Å; F24-I85 HydrophobicContact CZ-CG2 4.12Å; F24-E86 WeakPolarHBondContact CA-OE1 3.38Å; F24-E86 HydrophobicContact CB-CG 4.44Å; F24-E86 WeakPolarHBondContact CB-OE1 3.4Å; F24-E86 HydrophobicContact CD2-CG 4.06Å; F24-E86 PolarHBondContact N-OE1 2.87Å
25D79.9Confident76.4Confident46 Ų4685.2 Ų85.225%0.24639%0.391CS..Hα-helixtrans-55.1-47.6-176.3-159.226.7000112.7N27 F28 H29 W78 V82 E86 K88D25-N27 PolarHBondContact O-N 3.47Å; D25-F28 PolarHBondContact O-N 2.88Å; D25-H29 PolarHBondContact O-CD2 3.34Å; D25-H29 PolarHBondContact O-N 3.01Å; D25-H29 VanDerWaalsContact O-N 3.16Å; D25-H29 IonicContact OD1-NE2 3.31Å; D25-W78 WeakPolarHBondContact OD1-CZ3 3.33Å; D25-V82 HydrophobicContact CB-CG1 4.19Å; D25-E86 PolarHBondContact N-OE1 3.08Å; D25-K88 IonicContact OD2-NZ 3.33Å; D25-K88 PolarHBondContact OD2-NZ 3.43Å
26E81Confident77Confident105 Ų10586.2 Ų86.249%0.49140%0.401SS..Hα-helixtrans-63.7-40.8178.1-67175.6-170.400111.9R23 F24 H29R23-E26 HydrophobicContact CB-CB 4.49Å; R23-E26 HydrophobicContact CB-CG 4.43Å; R23-E26 VanDerWaalsContact CD-CD 3.47Å; R23-E26 WeakPolarHBondContact CD-OE1 3.24Å; R23-E26 WeakPolarHBondContact CD-OE2 3.35Å; R23-E26 IonicContact CZ-OE1 3.43Å; R23-E26 IonicContact NE-OE1 2.65Å; R23-E26 IonicContact NH1-OE1 2.75Å; R23-E26 PolarHBondContact NH1-OE1 3.23Å; R23-E26 IonicContact NH1-OE2 3.18Å; F24-E26 PolarHBondContact O-N 3.32Å; E26-H29 PolarHBondContact O-N 2.74Å
27N81.4Confident77.5Confident54 Ų5485.2 Ų85.229%0.28940%0.397SS..Hα-helixtrans-75.4-28.6-177.5-75.6-85.7000113.4R23 F24 D25 Y31 I47 L51R23-N27 PolarHBondContact O-ND2 3.07Å; F24-N27 PolarHBondContact O-N 2.9Å; F24-N27 VanDerWaalsContact O-N 3.13Å; D25-N27 PolarHBondContact O-N 3.47Å; N27-Y31 VanDerWaalsContact O-CD2 3.28Å; N27-Y31 WeakPolarHBondContact O-CD2 3.09Å; N27-I47 HydrophobicContact CB-CG2 4.08Å; N27-L51 HydrophobicContact CB-CD1 3.91Å; N27-L51 HydrophobicContact CB-CD2 4.39Å; N27-L51 HydrophobicContact CB-CG 4.48Å; N27-L51 WeakPolarHBondContact ND2-CD2 3.45Å
28F84.2Confident78.3Confident0 Ų089.3 Ų89.30%041%0.41CS..Hα-helixtrans-76.8-29.6173.5-78.1-69.3000112.2F24 D25 D30 Y31 D32 V39 F44 I47 W78 F81 V82F24-F28 HydrophobicContact CB-CD2 4.07Å; F24-F28 HydrophobicContact CB-CE2 3.99Å; F24-F28 HydrophobicContact CD1-CE2 4.08Å; F24-F28 HydrophobicContact CG-CE2 4.48Å; F24-F28 WeakPolarHBondContact O-CD2 3.39Å; F24-F28 PolarHBondContact O-N 2.92Å; D25-F28 PolarHBondContact O-N 2.88Å; F28-D30 VanDerWaalsContact C-N 3.27Å; F28-D30 PolarHBondContact O-N 2.94Å; F28-Y31 PolarHBondContact O-N 3.48Å; F28-Y31 VanDerWaalsContact O-N 3.14Å; F28-D32 PolarHBondContact O-N 3.44Å; F28-D32 VanDerWaalsContact O-N 3.16Å; F28-V39 HydrophobicContact CD1-CG2 4.23Å; F28-V39 HydrophobicContact CE1-CG2 4.29Å; F28-F44 AromaticContact CE1-CD2 3.44Å; F28-F44 HydrophobicContact CE1-CD2 3.44Å; F28-F44 VanDerWaalsContact CE1-CD2 3.44Å; F28-F44 AromaticContact CE1-CE2 3.89Å; F28-F44 HydrophobicContact CE1-CE2 3.89Å; F28-F44 HydrophobicContact CE1-CG 4.34Å; F28-F44 AromaticContact CZ-CD2 3.63Å; F28-F44 HydrophobicContact CZ-CD2 3.63Å; F28-F44 AromaticContact CZ-CE2 3.57Å; F28-F44 HydrophobicContact CZ-CE2 3.57Å; F28-I47 HydrophobicContact CD1-CD1 3.35Å; F28-I47 HydrophobicContact CD1-CG1 4.5Å; F28-I47 HydrophobicContact CD1-CG2 4.17Å; F28-I47 HydrophobicContact CD2-CG2 4.49Å; F28-I47 HydrophobicContact CE1-CB 4.04Å; F28-I47 HydrophobicContact CE1-CD1 3.54Å; F28-I47 HydrophobicContact CE1-CG1 4.42Å; F28-I47 HydrophobicContact CE1-CG2 3.86Å; F28-I47 HydrophobicContact CE2-CG2 4.22Å; F28-I47 HydrophobicContact CG-CD1 4.28Å; F28-I47 HydrophobicContact CG-CG2 4.45Å; F28-I47 HydrophobicContact CZ-CB 4.39Å; F28-I47 HydrophobicContact CZ-CG2 3.89Å; F28-W78 HydrophobicContact CB-CB 4.44Å; F28-W78 HydrophobicContact CB-CD2 3.45Å; F28-W78 VanDerWaalsContact CB-CD2 3.45Å; F28-W78 HydrophobicContact CB-CE3 3.27Å; F28-W78 HydrophobicContact CB-CG 4Å; F28-W78 HydrophobicContact CB-CH2 4.08Å; F28-W78 HydrophobicContact CB-CZ2 4.24Å; F28-W78 HydrophobicContact CB-CZ3 3.62Å; F28-W78 HydrophobicContact CD1-CB 3.57Å; F28-W78 HydrophobicContact CD1-CD2 4.25Å; F28-W78 HydrophobicContact CD1-CE3 4.46Å; F28-W78 AromaticContact CD1-CG 3.9Å; F28-W78 HydrophobicContact CD1-CG 3.9Å; F28-W78 HydrophobicContact CD2-CB 4.36Å; F28-W78 HydrophobicContact CD2-CD2 4.48Å; F28-W78 AromaticContact CD2-CE3 3.9Å; F28-W78 HydrophobicContact CD2-CE3 3.9Å; F28-W78 HydrophobicContact CE1-CB 3.85Å; F28-W78 HydrophobicContact CG-CB 3.89Å; F28-W78 AromaticContact CG-CD2 3.84Å; F28-W78 HydrophobicContact CG-CD2 3.84Å; F28-W78 AromaticContact CG-CE3 3.65Å; F28-W78 HydrophobicContact CG-CE3 3.65Å; F28-W78 AromaticContact CG-CG 3.98Å; F28-W78 HydrophobicContact CG-CG 3.98Å; F28-W78 HydrophobicContact CG-CZ3 4.38Å; F28-W78 HydrophobicContact CZ-CB 4.37Å; F28-F81 AromaticContact CE2-CD1 3.89Å; F28-F81 HydrophobicContact CE2-CD1 3.89Å; F28-F81 HydrophobicContact CE2-CE1 4.04Å; F28-F81 HydrophobicContact CZ-CD1 4.01Å; F28-F81 HydrophobicContact CZ-CE1 4.13Å; F28-V82 HydrophobicContact CD2-CG2 3.55Å; F28-V82 HydrophobicContact CE2-CG2 3.86Å
29H83Confident79.1Confident69 Ų6983.3 Ų83.332%0.31938%0.384SS..Hα-helixtrans-59.4-35.3175-86.2-45.1000113.4D25 E26 Y31 D32 W78D25-H29 PolarHBondContact O-CD2 3.34Å; D25-H29 PolarHBondContact O-N 3.01Å; D25-H29 VanDerWaalsContact O-N 3.16Å; D25-H29 IonicContact OD1-NE2 3.31Å; E26-H29 PolarHBondContact O-N 2.74Å; H29-Y31 PolarHBondContact O-N 3.4Å; H29-D32 PolarHBondContact O-N 3.45Å; H29-W78 AromaticContact CE1-CH2 3.81Å; H29-W78 AromaticContact ND1-CH2 3.93Å
30D82.5Confident80Confident116 Ų11680 Ų8062%0.6237%0.368SS*.THydrogen-bonded Turntrans-66-19.4178-69.3-16000113.8F28F28-D30 VanDerWaalsContact C-N 3.27Å; F28-D30 PolarHBondContact O-N 2.94Å
31Y80.7Confident80.7Confident51 Ų5174 Ų7420%0.235%0.348CS..THydrogen-bonded Turntrans-106.3-20.2-176.5-74.3-103.2000113.5N27 F28 H29 N33 Q43 R46 I47N27-Y31 VanDerWaalsContact O-CD2 3.28Å; N27-Y31 WeakPolarHBondContact O-CD2 3.09Å; F28-Y31 PolarHBondContact O-N 3.48Å; F28-Y31 VanDerWaalsContact O-N 3.14Å; H29-Y31 PolarHBondContact O-N 3.4Å; Y31-N33 PolarHBondContact O-N 3.06Å; Y31-Q43 HydrophobicContact CD1-CB 4.05Å; Y31-Q43 HydrophobicContact CD1-CG 3.97Å; Y31-R46 PolarHBondContact OH-NE 2.99Å; Y31-R46 VanDerWaalsContact OH-NE 3.11Å; Y31-R46 PolarHBondContact OH-NH2 3.41Å; Y31-I47 HydrophobicContact CD1-CD1 4.05Å; Y31-I47 HydrophobicContact CD1-CG1 4.24Å; Y31-I47 HydrophobicContact CD2-CD1 3.52Å; Y31-I47 HydrophobicContact CD2-CG1 3.61Å; Y31-I47 HydrophobicContact CE1-CD1 4.46Å; Y31-I47 HydrophobicContact CE1-CG1 4.15Å; Y31-I47 HydrophobicContact CE2-CD1 4.05Å; Y31-I47 HydrophobicContact CE2-CG1 3.57Å; Y31-I47 HydrophobicContact CG-CD1 3.53Å; Y31-I47 HydrophobicContact CG-CG1 3.96Å
32D84.9Confident81.3Confident7 Ų769.8 Ų69.84%0.03734%0.341CS..  trans-100.865.4176.9-175.619.8000110.7F28 H29 L34 R35 S36 G37 V39 W78F28-D32 PolarHBondContact O-N 3.44Å; F28-D32 VanDerWaalsContact O-N 3.16Å; H29-D32 PolarHBondContact O-N 3.45Å; D32-L34 PolarHBondContact O-N 2.86Å; D32-R35 PolarHBondContact O-N 3.09Å; D32-R35 PolarHBondContact OD1-N 3.33Å; D32-R35 VanDerWaalsContact OD2-C 3.29Å; D32-R35 WeakPolarHBondContact OD2-CA 3.48Å; D32-S36 VanDerWaalsContact CG-N 3.3Å; D32-S36 WeakPolarHBondContact OD1-CB 3.37Å; D32-S36 PolarHBondContact OD1-N 3.46Å; D32-S36 PolarHBondContact OD1-OG 3.36Å; D32-S36 PolarHBondContact OD2-N 2.95Å; D32-G37 WeakPolarHBondContact OD2-CA 3.07Å; D32-G37 PolarHBondContact OD2-N 3.48Å; D32-V39 HydrophobicContact CB-CG1 4.22Å; D32-W78 HydrophobicContact CB-CZ2 4.44Å; D32-W78 PolarHBondContact OD2-NE1 3.39Å; D32-W78 VanDerWaalsContact OD2-NE1 3.11Å
33N77.4Confident82.1Confident141 Ų14171.5 Ų71.575%0.75435%0.347SS*.THydrogen-bonded Turntrans-55.4-26.2-178.2-71.2-20.9000113.7Y31Y31-N33 PolarHBondContact O-N 3.06Å
34L80.1Confident82.8Confident159 Ų15964.1 Ų64.183%0.83232%0.319SS*.THydrogen-bonded Turntrans-91.30.4178.6-65.4174.9000113.2D32 S36D32-L34 PolarHBondContact O-N 2.86Å; L34-S36 PolarHBondContact O-N 2.9Å; L34-S36 VanDerWaalsContact O-N 3.11Å
35R78.6Confident83.1Confident183 Ų18365.4 Ų65.469%0.69133%0.326SS*.  trans50.132.1-172.5-59.7-178.1177-116.7-1.8112.8D32 G37 R79D32-R35 PolarHBondContact O-N 3.09Å; D32-R35 PolarHBondContact OD1-N 3.33Å; D32-R35 VanDerWaalsContact OD2-C 3.29Å; D32-R35 WeakPolarHBondContact OD2-CA 3.48Å; R35-G37 PolarHBondContact O-N 3.41Å; R35-R79 PolarHBondContact O-NH2 2.71Å
36S81.5Confident83.2Confident59 Ų5969.9 Ų69.941%0.41334%0.339SS..  trans-68-22-175.967.80000113D32 L34 Y38D32-S36 VanDerWaalsContact CG-N 3.3Å; D32-S36 WeakPolarHBondContact OD1-CB 3.37Å; D32-S36 PolarHBondContact OD1-N 3.46Å; D32-S36 PolarHBondContact OD1-OG 3.36Å; D32-S36 PolarHBondContact OD2-N 2.95Å; L34-S36 PolarHBondContact O-N 2.9Å; L34-S36 VanDerWaalsContact O-N 3.11Å; S36-Y38 VanDerWaalsContact C-N 3.3Å; S36-Y38 WeakPolarHBondContact O-CD2 3.46Å; S36-Y38 WeakPolarHBondContact O-CE2 3.3Å; S36-Y38 PolarHBondContact OG-N 3.5Å; S36-Y38 PolarHBondContact OG-O 3.1Å
37G83.4Confident83.4Confident4 Ų465 Ų654%0.04132%0.317CS..SBendtrans83.33.2-170.400000113.8D32 R35 W78D32-G37 WeakPolarHBondContact OD2-CA 3.07Å; D32-G37 PolarHBondContact OD2-N 3.48Å; R35-G37 PolarHBondContact O-N 3.41Å; G37-W78 VanDerWaalsContact C-NE1 3.33Å; G37-W78 PolarHBondContact O-N 2.89Å
38Y87.3Confident83.5Confident99 Ų9962.5 Ų62.539%0.38830%0.303SS..EExtended strand (participates in β ladder)trans-126.7138.8-176.2-57.9-83.7000111.1S36 V70 I76 N77S36-Y38 VanDerWaalsContact C-N 3.3Å; S36-Y38 WeakPolarHBondContact O-CD2 3.46Å; S36-Y38 WeakPolarHBondContact O-CE2 3.3Å; S36-Y38 PolarHBondContact OG-N 3.5Å; S36-Y38 PolarHBondContact OG-O 3.1Å; Y38-V70 HydrophobicContact CD1-CG2 4.46Å; Y38-V70 HydrophobicContact CE1-CB 4.44Å; Y38-V70 HydrophobicContact CE1-CG2 3.97Å; Y38-I76 WeakPolarHBondContact CA-O 3.37Å; Y38-N77 HydrophobicContact CD1-CB 4.1Å; Y38-N77 HydrophobicContact CE1-CB 3.92Å
39V86.1Confident83.4Confident1 Ų170.2 Ų70.21%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-126151.3172-75.50000108.9F28 D32 Q43 F44 Y75 I76 W78F28-V39 HydrophobicContact CD1-CG2 4.23Å; F28-V39 HydrophobicContact CE1-CG2 4.29Å; D32-V39 HydrophobicContact CB-CG1 4.22Å; V39-Q43 HydrophobicContact CB-CB 4.22Å; V39-F44 HydrophobicContact CG2-CB 4Å; V39-F44 HydrophobicContact CG2-CD2 4.22Å; V39-Y75 CarbonylContact O-C 3.56Å; V39-Y75 WeakPolarHBondContact O-CA 3.34Å; V39-I76 PolarHBondContact N-O 3.21Å; V39-I76 PolarHBondContact O-N 3.15Å; V39-W78 HydrophobicContact CG2-CB 3.84Å; V39-W78 HydrophobicContact CG2-CG 4.19Å
40T85.4Confident83.3Confident47 Ų4772.3 Ų72.329%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-63.6151.4175.261.50000110.6N42 Q43 F44 R74 Y75T40-N42 PolarHBondContact O-N 3.09Å; T40-Q43 WeakPolarHBondContact O-CB 3.37Å; T40-Q43 PolarHBondContact O-N 3.06Å; T40-Q43 WeakPolarHBondContact OG1-CB 3.36Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.44Å; T40-Q43 PolarHBondContact OG1-N 2.92Å; T40-Q43 PolarHBondContact OG1-OE1 3.32Å; T40-F44 PolarHBondContact O-N 2.86Å; T40-R74 WeakPolarHBondContact CA-O 3.34Å; T40-Y75 HydrophobicContact CG2-CD1 4.27Å; T40-Y75 HydrophobicContact CG2-CE1 3.98Å
41G84.1Confident82.9Confident6 Ų667.7 Ų67.76%0.06232%0.321CS..Hα-helixtrans-53.1-39.6-179.700000114.5F44 L45 F65 R74G41-F44 PolarHBondContact O-N 3.01Å; G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 2.98Å; G41-L45 VanDerWaalsContact O-N 3.09Å; G41-F65 VanDerWaalsContact CA-CE1 3.47Å; G41-R74 PolarHBondContact N-O 3.41Å; G41-R74 VanDerWaalsContact N-O 3.1Å
42N84.7Confident82.6Confident132 Ų13265.4 Ų65.471%0.70631%0.312SS*.Hα-helixtrans-69.8-37.4176.8-67.6-21000112.6T40 F44 R46T40-N42 PolarHBondContact O-N 3.09Å; N42-F44 VanDerWaalsContact C-N 3.35Å; N42-R46 WeakPolarHBondContact O-CB 3.44Å; N42-R46 PolarHBondContact O-N 3.22Å
43Q85.6Confident81.8Confident64 Ų6467.2 Ų67.230%0.29933%0.332SS..Hα-helixtrans-63.7-43.1173.9-75165.3-25.100110.6Y31 V39 T40 R46 I47Y31-Q43 HydrophobicContact CD1-CB 4.05Å; Y31-Q43 HydrophobicContact CD1-CG 3.97Å; V39-Q43 HydrophobicContact CB-CB 4.22Å; T40-Q43 WeakPolarHBondContact O-CB 3.37Å; T40-Q43 PolarHBondContact O-N 3.06Å; T40-Q43 WeakPolarHBondContact OG1-CB 3.36Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.44Å; T40-Q43 PolarHBondContact OG1-N 2.92Å; T40-Q43 PolarHBondContact OG1-OE1 3.32Å; Q43-R46 PolarHBondContact O-N 2.86Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.25Å; Q43-I47 WeakPolarHBondContact O-CG1 3.39Å; Q43-I47 PolarHBondContact O-N 2.7Å
44F87.3Confident81.2Confident0 Ų063.2 Ų63.20%031%0.313CS..Hα-helixtrans-59.5-48.5177.5-178.4-92.7000112.7F28 V39 T40 G41 N42 R46 I47 L48 I64 I76 F81F28-F44 AromaticContact CE1-CD2 3.44Å; F28-F44 HydrophobicContact CE1-CD2 3.44Å; F28-F44 VanDerWaalsContact CE1-CD2 3.44Å; F28-F44 AromaticContact CE1-CE2 3.89Å; F28-F44 HydrophobicContact CE1-CE2 3.89Å; F28-F44 HydrophobicContact CE1-CG 4.34Å; F28-F44 AromaticContact CZ-CD2 3.63Å; F28-F44 HydrophobicContact CZ-CD2 3.63Å; F28-F44 AromaticContact CZ-CE2 3.57Å; F28-F44 HydrophobicContact CZ-CE2 3.57Å; V39-F44 HydrophobicContact CG2-CB 4Å; V39-F44 HydrophobicContact CG2-CD2 4.22Å; T40-F44 PolarHBondContact O-N 2.86Å; G41-F44 PolarHBondContact O-N 3.01Å; N42-F44 VanDerWaalsContact C-N 3.35Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 3.03Å; F44-I47 PolarHBondContact O-N 2.92Å; F44-L48 HydrophobicContact CD1-CD1 3.71Å; F44-L48 HydrophobicContact CE1-CD1 3.1Å; F44-L48 HydrophobicContact CE1-CG 4.16Å; F44-L48 HydrophobicContact CE2-CD1 4.49Å; F44-L48 HydrophobicContact CZ-CD1 3.57Å; F44-L48 HydrophobicContact CZ-CG 4.34Å; F44-L48 PolarHBondContact O-N 3.16Å; F44-I64 HydrophobicContact CD1-CG2 4.34Å; F44-I64 HydrophobicContact CE1-CG2 3.37Å; F44-I64 HydrophobicContact CZ-CG2 3.84Å; F44-I76 HydrophobicContact CB-CB 4.27Å; F44-I76 HydrophobicContact CB-CD1 3.72Å; F44-I76 HydrophobicContact CB-CG1 4.49Å; F44-I76 HydrophobicContact CD1-CD1 3.35Å; F44-I76 HydrophobicContact CD1-CG2 4.46Å; F44-I76 HydrophobicContact CD2-CB 4.17Å; F44-I76 HydrophobicContact CD2-CD1 4.19Å; F44-I76 HydrophobicContact CD2-CG2 3.5Å; F44-I76 VanDerWaalsContact CD2-CG2 3.5Å; F44-I76 HydrophobicContact CE1-CD1 3.95Å; F44-I76 HydrophobicContact CE2-CG2 3.72Å; F44-I76 HydrophobicContact CG-CB 4.17Å; F44-I76 HydrophobicContact CG-CD1 3.48Å; F44-I76 VanDerWaalsContact CG-CD1 3.48Å; F44-I76 HydrophobicContact CG-CG1 4.42Å; F44-I76 HydrophobicContact CG-CG2 3.91Å; F44-I76 HydrophobicContact CZ-CG2 4.28Å; F44-F81 HydrophobicContact CE2-CB 3.99Å; F44-F81 AromaticContact CE2-CD1 3.56Å; F44-F81 HydrophobicContact CE2-CD1 3.56Å; F44-F81 HydrophobicContact CE2-CD2 4.09Å; F44-F81 AromaticContact CE2-CE1 4Å; F44-F81 HydrophobicContact CE2-CE1 4Å; F44-F81 HydrophobicContact CE2-CE2 4.47Å; F44-F81 AromaticContact CE2-CG 3.6Å; F44-F81 HydrophobicContact CE2-CG 3.6Å; F44-F81 HydrophobicContact CE2-CZ 4.42Å; F44-F81 HydrophobicContact CZ-CB 4.32Å; F44-F81 AromaticContact CZ-CD1 3.78Å; F44-F81 HydrophobicContact CZ-CD1 3.78Å; F44-F81 AromaticContact CZ-CD2 3.6Å; F44-F81 HydrophobicContact CZ-CD2 3.6Å; F44-F81 AromaticContact CZ-CE1 3.9Å; F44-F81 HydrophobicContact CZ-CE1 3.9Å; F44-F81 AromaticContact CZ-CE2 3.72Å; F44-F81 HydrophobicContact CZ-CE2 3.72Å; F44-F81 AromaticContact CZ-CG 3.62Å; F44-F81 HydrophobicContact CZ-CG 3.62Å; F44-F81 AromaticContact CZ-CZ 3.86Å; F44-F81 HydrophobicContact CZ-CZ 3.86Å
45L85.5Confident80.7Confident30 Ų3059.6 Ų59.616%0.15730%0.299CS..Hα-helixtrans-62.8-36.9176.1-69.1178.3000112.3G41 L48 R49 E61 F65G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 2.98Å; G41-L45 VanDerWaalsContact O-N 3.09Å; L45-L48 PolarHBondContact O-N 2.98Å; L45-R49 VanDerWaalsContact O-CB 3.28Å; L45-R49 WeakPolarHBondContact O-CB 3.44Å; L45-R49 PolarHBondContact O-N 3.31Å; L45-E61 HydrophobicContact CD1-CG 4.5Å; L45-E61 HydrophobicContact CD2-CB 4.21Å; L45-E61 HydrophobicContact CD2-CG 3.69Å; L45-F65 HydrophobicContact CD1-CE2 3.82Å; L45-F65 HydrophobicContact CD1-CZ 3.76Å; L45-F65 HydrophobicContact CD2-CE2 4.26Å; L45-F65 HydrophobicContact CD2-CZ 4.34Å; L45-F65 HydrophobicContact CG-CE2 4.17Å; L45-F65 HydrophobicContact CG-CZ 3.88Å
46R83.8Confident80.3Confident140 Ų14051.6 Ų51.653%0.52827%0.27SS..Hα-helixtrans-64.4-42.7176.9-164.7173.388.1-179.510.5111.9Y31 N42 Q43 F44 R49 N50Y31-R46 PolarHBondContact OH-NE 2.99Å; Y31-R46 VanDerWaalsContact OH-NE 3.11Å; Y31-R46 PolarHBondContact OH-NH2 3.41Å; N42-R46 WeakPolarHBondContact O-CB 3.44Å; N42-R46 PolarHBondContact O-N 3.22Å; Q43-R46 PolarHBondContact O-N 2.86Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 3.03Å; R46-R49 PolarHBondContact O-N 3.27Å; R46-N50 WeakPolarHBondContact O-CB 3.23Å; R46-N50 PolarHBondContact O-N 3.07Å
47I83.6Confident80.1Confident3 Ų353.2 Ų53.22%0.01527%0.274CS..Hα-helixtrans-64.4-46.1177.1-65.2160.7000110.4N27 F28 Y31 Q43 F44 R49 N50 L51N27-I47 HydrophobicContact CB-CG2 4.08Å; F28-I47 HydrophobicContact CD1-CD1 3.35Å; F28-I47 HydrophobicContact CD1-CG1 4.5Å; F28-I47 HydrophobicContact CD1-CG2 4.17Å; F28-I47 HydrophobicContact CD2-CG2 4.49Å; F28-I47 HydrophobicContact CE1-CB 4.04Å; F28-I47 HydrophobicContact CE1-CD1 3.54Å; F28-I47 HydrophobicContact CE1-CG1 4.42Å; F28-I47 HydrophobicContact CE1-CG2 3.86Å; F28-I47 HydrophobicContact CE2-CG2 4.22Å; F28-I47 HydrophobicContact CG-CD1 4.28Å; F28-I47 HydrophobicContact CG-CG2 4.45Å; F28-I47 HydrophobicContact CZ-CB 4.39Å; F28-I47 HydrophobicContact CZ-CG2 3.89Å; Y31-I47 HydrophobicContact CD1-CD1 4.05Å; Y31-I47 HydrophobicContact CD1-CG1 4.24Å; Y31-I47 HydrophobicContact CD2-CD1 3.52Å; Y31-I47 HydrophobicContact CD2-CG1 3.61Å; Y31-I47 HydrophobicContact CE1-CD1 4.46Å; Y31-I47 HydrophobicContact CE1-CG1 4.15Å; Y31-I47 HydrophobicContact CE2-CD1 4.05Å; Y31-I47 HydrophobicContact CE2-CG1 3.57Å; Y31-I47 HydrophobicContact CG-CD1 3.53Å; Y31-I47 HydrophobicContact CG-CG1 3.96Å; Q43-I47 WeakPolarHBondContact O-CD1 3.29Å; Q43-I47 VanDerWaalsContact O-CG1 3.25Å; Q43-I47 WeakPolarHBondContact O-CG1 3.39Å; Q43-I47 PolarHBondContact O-N 2.7Å; F44-I47 PolarHBondContact O-N 2.92Å; I47-R49 PolarHBondContact O-N 3.01Å; I47-N50 PolarHBondContact O-N 3.48Å; I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 WeakPolarHBondContact O-CG 3.36Å; I47-L51 PolarHBondContact O-N 3.09Å
48L83.1Confident79.9Confident2 Ų257.1 Ų57.11%0.0130%0.297CS..Hα-helixtrans-61.5-44.4176.2-81.3171000112.4I13 F24 F44 L45 N50 L51 I52 L56 I64 F81I13-L48 HydrophobicContact CD1-CD2 4.48Å; I13-L48 HydrophobicContact CG2-CD2 4.32Å; F24-L48 HydrophobicContact CE1-CD2 3.99Å; F44-L48 HydrophobicContact CD1-CD1 3.71Å; F44-L48 HydrophobicContact CE1-CD1 3.1Å; F44-L48 HydrophobicContact CE1-CG 4.16Å; F44-L48 HydrophobicContact CE2-CD1 4.49Å; F44-L48 HydrophobicContact CZ-CD1 3.57Å; F44-L48 HydrophobicContact CZ-CG 4.34Å; F44-L48 PolarHBondContact O-N 3.16Å; L45-L48 PolarHBondContact O-N 2.98Å; L48-N50 VanDerWaalsContact C-N 3.27Å; L48-N50 PolarHBondContact O-N 2.86Å; L48-L51 PolarHBondContact O-N 3.16Å; L48-I52 HydrophobicContact CB-CD1 4.19Å; L48-I52 HydrophobicContact CD2-CD1 3.55Å; L48-I52 HydrophobicContact CD2-CG1 4.34Å; L48-I52 HydrophobicContact CG-CD1 4.43Å; L48-I52 VanDerWaalsContact O-CB 3.27Å; L48-I52 WeakPolarHBondContact O-CB 2.9Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.47Å; L48-L56 HydrophobicContact CB-CD1 4.49Å; L48-L56 HydrophobicContact CD1-CD1 3.92Å; L48-I64 HydrophobicContact CD1-CD1 4.48Å; L48-F81 HydrophobicContact CD1-CZ 4.34Å; L48-F81 HydrophobicContact CD2-CE1 4.01Å; L48-F81 HydrophobicContact CD2-CZ 3.69Å; L48-F81 HydrophobicContact CG-CZ 4.48Å
49R82Confident79.5Confident162 Ų16254.9 Ų54.961%0.61130%0.296SS*.Hα-helixtrans-61-38.4177.4-173.9175.2178.3167.1-0.1111.8L45 R46 I47 G53L45-R49 VanDerWaalsContact O-CB 3.28Å; L45-R49 WeakPolarHBondContact O-CB 3.44Å; L45-R49 PolarHBondContact O-N 3.31Å; R46-R49 PolarHBondContact O-N 3.27Å; I47-R49 PolarHBondContact O-N 3.01Å; R49-G53 VanDerWaalsContact O-CA 3.3Å; R49-G53 WeakPolarHBondContact O-CA 3.41Å; R49-G53 PolarHBondContact O-N 2.68Å
50N81.6Confident79.2Confident112 Ų11256.3 Ų56.360%0.59930%0.302SS*.Hα-helixtrans-69.3-39.5176.5-77.4-2.6000112.6R46 I47 L48R46-N50 WeakPolarHBondContact O-CB 3.23Å; R46-N50 PolarHBondContact O-N 3.07Å; I47-N50 PolarHBondContact O-N 3.48Å; L48-N50 VanDerWaalsContact C-N 3.27Å; L48-N50 PolarHBondContact O-N 2.86Å
51L75Confident79Confident20 Ų2056.4 Ų56.411%0.10530%0.299CS..Hα-helixtrans-79.8-44.2-177.7-71.2167.8000113.4C22 F24 N27 I47 L48C22-L51 HydrophobicContact CB-CD2 4.24Å; C22-L51 PolarHBondContact SG-O 2.94Å; F24-L51 HydrophobicContact CD1-CD1 3.42Å; F24-L51 VanDerWaalsContact CD1-CD1 3.42Å; F24-L51 HydrophobicContact CE1-CB 4.33Å; F24-L51 HydrophobicContact CE1-CD1 3.75Å; F24-L51 HydrophobicContact CG-CD1 4.33Å; N27-L51 HydrophobicContact CB-CD1 3.91Å; N27-L51 HydrophobicContact CB-CD2 4.39Å; N27-L51 HydrophobicContact CB-CG 4.48Å; N27-L51 WeakPolarHBondContact ND2-CD2 3.45Å; I47-L51 HydrophobicContact CG2-CD1 3.75Å; I47-L51 WeakPolarHBondContact O-CG 3.36Å; I47-L51 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.16Å
52I72.8Confident78.9Confident2 Ų263 Ų631%0.0133%0.326CS..Hα-helixtrans-80.9-29.9-176.7-59.4172.5000110.3I13 I16 R20 L48 V54I13-I52 HydrophobicContact CB-CD1 4.32Å; I13-I52 HydrophobicContact CD1-CD1 4.43Å; I13-I52 HydrophobicContact CG1-CD1 3.77Å; I13-I52 HydrophobicContact CG2-CD1 3.97Å; I16-I52 HydrophobicContact CB-CG2 4.33Å; I16-I52 HydrophobicContact CD1-CG2 3.64Å; I16-I52 HydrophobicContact CG2-CB 4.39Å; I16-I52 HydrophobicContact CG2-CG2 3.87Å; R20-I52 PolarHBondContact NH1-O 3.23Å; R20-I52 VanDerWaalsContact NH1-O 3.11Å; L48-I52 HydrophobicContact CB-CD1 4.19Å; L48-I52 HydrophobicContact CD2-CD1 3.55Å; L48-I52 HydrophobicContact CD2-CG1 4.34Å; L48-I52 HydrophobicContact CG-CD1 4.43Å; L48-I52 VanDerWaalsContact O-CB 3.27Å; L48-I52 WeakPolarHBondContact O-CB 2.9Å; L48-I52 WeakPolarHBondContact O-CG1 3.48Å; L48-I52 PolarHBondContact O-N 3.47Å; I52-V54 HydrophobicContact CG2-CB 4.21Å; I52-V54 PolarHBondContact O-N 3.35Å; I52-V54 VanDerWaalsContact O-N 3.14Å
53G68.8Low78.8Confident45 Ų4558.8 Ų58.846%0.46430%0.304SS..SBendtrans71.1-5-176.600000114.8R49R49-G53 VanDerWaalsContact O-CA 3.3Å; R49-G53 WeakPolarHBondContact O-CA 3.41Å; R49-G53 PolarHBondContact O-N 2.68Å
54V65.7Low78.6Confident58 Ų5855.8 Ų55.835%0.35229%0.29SS..SBendtrans-117.8128.5175.7-172.90000108I52 L56I52-V54 HydrophobicContact CG2-CB 4.21Å; I52-V54 PolarHBondContact O-N 3.35Å; I52-V54 VanDerWaalsContact O-N 3.14Å; V54-L56 PolarHBondContact O-N 2.77Å
55P68.3Low78.4Confident83 Ų8357.2 Ų57.254%0.53930%0.296SS..PPolyproline II helixtrans-65.5131.1172.927.6-32.2000109.7
56L70Confident78.2Confident15 Ų1564.3 Ų64.38%0.07933%0.326CS..PPolyproline II helixtrans-67.1144.5170.5-72.8155.5000109V9 Y12 I13 L48 V54 Q60 E61 I64V9-L56 HydrophobicContact CG1-CD2 3.92Å; Y12-L56 HydrophobicContact CD1-CD2 4.4Å; I13-L56 HydrophobicContact CD1-CD1 4.24Å; I13-L56 HydrophobicContact CD1-CD2 4.28Å; I13-L56 HydrophobicContact CG1-CD2 4.29Å; L48-L56 HydrophobicContact CB-CD1 4.49Å; L48-L56 HydrophobicContact CD1-CD1 3.92Å; V54-L56 PolarHBondContact O-N 2.77Å; L56-Q60 HydrophobicContact CB-CB 4.35Å; L56-Q60 HydrophobicContact CD2-CB 4.32Å; L56-E61 HydrophobicContact CB-CG 4Å; L56-I64 HydrophobicContact CD1-CD1 3.82Å
57D78.3Confident78.2Confident92 Ų9260.6 Ų60.649%0.49231%0.313SS..PPolyproline II helixtrans-65.8151.3175.6-179.741.3000110.8S59 Q60 E61D57-S59 PolarHBondContact O-N 3.29Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD2-CB 3.38Å; D57-S59 PolarHBondContact OD2-N 3.28Å; D57-S59 PolarHBondContact OD2-OG 2.95Å; D57-Q60 HydrophobicContact CB-CG 4.09Å; D57-Q60 WeakPolarHBondContact O-CA 3.37Å; D57-Q60 WeakPolarHBondContact O-CB 3.45Å; D57-Q60 PolarHBondContact O-N 3.21Å; D57-E61 PolarHBondContact O-N 3.23Å
58V79.3Confident78.2Confident87 Ų8760.6 Ų60.653%0.52731%0.313SS..Hα-helixtrans-57.8-30.1-177.8-1800000111.4K62V58-K62 WeakPolarHBondContact O-CG 3.23Å; V58-K62 PolarHBondContact O-N 3.48Å
59S79.2Confident78Confident51 Ų5161.7 Ų61.736%0.35732%0.324SS..Hα-helixtrans-66.6-41.7173.467.90000112.3D57 K62 L63D57-S59 PolarHBondContact O-N 3.29Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD2-CB 3.38Å; D57-S59 PolarHBondContact OD2-N 3.28Å; D57-S59 PolarHBondContact OD2-OG 2.95Å; S59-K62 PolarHBondContact O-N 3.15Å; S59-L63 WeakPolarHBondContact O-CG 3.24Å; S59-L63 PolarHBondContact O-N 3.16Å
60Q79.2Confident77.7Confident31 Ų3156.6 Ų56.615%0.14531%0.311CS..Hα-helixtrans-70.2-38.4179-59.9178.5-19.900111.8D4 V9 L56 D57 L63 I64D4-Q60 WeakPolarHBondContact OD2-CG 3.43Å; D4-Q60 PolarHBondContact OD2-NE2 3.4Å; V9-Q60 HydrophobicContact CG1-CB 3.98Å; V9-Q60 HydrophobicContact CG1-CG 4.49Å; V9-Q60 HydrophobicContact CG2-CB 3.89Å; V9-Q60 HydrophobicContact CG2-CG 3.7Å; L56-Q60 HydrophobicContact CB-CB 4.35Å; L56-Q60 HydrophobicContact CD2-CB 4.32Å; D57-Q60 HydrophobicContact CB-CG 4.09Å; D57-Q60 WeakPolarHBondContact O-CA 3.37Å; D57-Q60 WeakPolarHBondContact O-CB 3.45Å; D57-Q60 PolarHBondContact O-N 3.21Å; Q60-L63 WeakPolarHBondContact O-CB 3.24Å; Q60-L63 PolarHBondContact O-N 3.36Å; Q60-I64 PolarHBondContact O-N 3.21Å; Q60-I64 VanDerWaalsContact O-N 3.15Å
61E81.9Confident77.1Confident49 Ų4956.6 Ų56.623%0.22931%0.311CS..Hα-helixtrans-61-46.7174.7-65.7-174.1163.900111.4L45 L56 D57 L63 I64 F65L45-E61 HydrophobicContact CD1-CG 4.5Å; L45-E61 HydrophobicContact CD2-CB 4.21Å; L45-E61 HydrophobicContact CD2-CG 3.69Å; L56-E61 HydrophobicContact CB-CG 4Å; D57-E61 PolarHBondContact O-N 3.23Å; E61-L63 PolarHBondContact O-N 3.01Å; E61-I64 PolarHBondContact O-N 3.33Å; E61-I64 VanDerWaalsContact O-N 3.15Å; E61-F65 HydrophobicContact CB-CD2 4.36Å; E61-F65 HydrophobicContact CB-CE2 4.23Å; E61-F65 WeakPolarHBondContact O-CD2 3.24Å; E61-F65 PolarHBondContact O-N 2.89Å
62K81.9Confident76.6Confident145 Ų14565.7 Ų65.763%0.6335%0.35SS*.Hα-helixtrans-59.1-35.5177.7-75.6176.2-178.2175.70112.5V58 S59 K66V58-K62 WeakPolarHBondContact O-CG 3.23Å; V58-K62 PolarHBondContact O-N 3.48Å; S59-K62 PolarHBondContact O-N 3.15Å; K62-K66 WeakPolarHBondContact O-CB 3.31Å; K62-K66 PolarHBondContact O-N 3.2Å
63L81.2Confident76.2Confident44 Ų4469.4 Ų69.423%0.2337%0.37CS..Hα-helixtrans-66.5-43.1176.9-75168.1000111.8D4 V6 V9 S59 Q60 E61 K66 K67D4-L63 HydrophobicContact CB-CD1 4.23Å; D4-L63 WeakPolarHBondContact O-CD1 3.25Å; V6-L63 HydrophobicContact CG2-CB 4.08Å; V6-L63 HydrophobicContact CG2-CD2 3.88Å; V9-L63 HydrophobicContact CG2-CD1 4.44Å; S59-L63 WeakPolarHBondContact O-CG 3.24Å; S59-L63 PolarHBondContact O-N 3.16Å; Q60-L63 WeakPolarHBondContact O-CB 3.24Å; Q60-L63 PolarHBondContact O-N 3.36Å; E61-L63 PolarHBondContact O-N 3.01Å; L63-K66 PolarHBondContact O-N 3.16Å; L63-K67 PolarHBondContact O-N 3.37Å
64I82.1Confident76.4Confident1 Ų176.2 Ų76.21%0.00538%0.381CS..Hα-helixtrans-65.5-45.7175.2-66.9168.6000110.8V9 I13 F44 L48 L56 Q60 E61 K66 K67 Y68V9-I64 HydrophobicContact CG1-CD1 3.96Å; V9-I64 HydrophobicContact CG1-CG1 4.27Å; I13-I64 HydrophobicContact CD1-CD1 3.84Å; F44-I64 HydrophobicContact CD1-CG2 4.34Å; F44-I64 HydrophobicContact CE1-CG2 3.37Å; F44-I64 HydrophobicContact CZ-CG2 3.84Å; L48-I64 HydrophobicContact CD1-CD1 4.48Å; L56-I64 HydrophobicContact CD1-CD1 3.82Å; Q60-I64 PolarHBondContact O-N 3.21Å; Q60-I64 VanDerWaalsContact O-N 3.15Å; E61-I64 PolarHBondContact O-N 3.33Å; E61-I64 VanDerWaalsContact O-N 3.15Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.45Å; I64-K67 PolarHBondContact O-N 3.15Å; I64-K67 VanDerWaalsContact O-N 3.1Å; I64-Y68 HydrophobicContact CG2-CD2 3.98Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.47Å
65F83.1Confident77.2Confident30 Ų3078.3 Ų78.313%0.13238%0.384CS..Hα-helixtrans-58-39.3176.7-80-62.3000112.6G41 L45 E61 K67 G69 N73 I76G41-F65 VanDerWaalsContact CA-CE1 3.47Å; L45-F65 HydrophobicContact CD1-CE2 3.82Å; L45-F65 HydrophobicContact CD1-CZ 3.76Å; L45-F65 HydrophobicContact CD2-CE2 4.26Å; L45-F65 HydrophobicContact CD2-CZ 4.34Å; L45-F65 HydrophobicContact CG-CE2 4.17Å; L45-F65 HydrophobicContact CG-CZ 3.88Å; E61-F65 HydrophobicContact CB-CD2 4.36Å; E61-F65 HydrophobicContact CB-CE2 4.23Å; E61-F65 WeakPolarHBondContact O-CD2 3.24Å; E61-F65 PolarHBondContact O-N 2.89Å; F65-K67 VanDerWaalsContact C-N 3.3Å; F65-K67 PolarHBondContact O-N 3.22Å; F65-G69 VanDerWaalsContact O-CA 3.28Å; F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 3.38Å; F65-N73 HydrophobicContact CB-CB 4.48Å; F65-N73 HydrophobicContact CD1-CB 4.29Å; F65-N73 PolarHBondContact O-OD1 3.33Å; F65-I76 HydrophobicContact CD1-CD1 3.5Å; F65-I76 VanDerWaalsContact CD1-CD1 3.5Å; F65-I76 HydrophobicContact CD1-CG1 3.98Å; F65-I76 HydrophobicContact CE1-CD1 3.28Å; F65-I76 HydrophobicContact CE1-CG1 3.99Å; F65-I76 HydrophobicContact CG-CD1 4.49Å; F65-I76 HydrophobicContact CZ-CD1 4.16Å
66K82.1Confident78Confident179 Ų17974.3 Ų74.378%0.77836%0.358SS*.Hα-helixtrans-65.7-30.9178.6-169.4178.1179.4-176.60112.9K62 L63 I64K62-K66 WeakPolarHBondContact O-CB 3.31Å; K62-K66 PolarHBondContact O-N 3.2Å; L63-K66 PolarHBondContact O-N 3.16Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 3.45Å
67K82.8Confident78.8Confident61 Ų6175.5 Ų75.527%0.26536%0.364SS..Hα-helixtrans-89.7-38.3-176.9-174.8172.5172.8-1740113.6V6 E10 L63 I64 F65 E84V6-K67 HydrophobicContact CG1-CB 4.46Å; V6-K67 HydrophobicContact CG1-CD 3.64Å; E10-K67 VanDerWaalsContact CD-NZ 3.26Å; E10-K67 WeakPolarHBondContact OE1-CD 3.46Å; E10-K67 WeakPolarHBondContact OE1-CE 3.25Å; E10-K67 IonicContact OE1-NZ 2.82Å; E10-K67 PolarHBondContact OE1-NZ 2.73Å; E10-K67 IonicContact OE2-NZ 2.67Å; E10-K67 PolarHBondContact OE2-NZ 3.11Å; L63-K67 PolarHBondContact O-N 3.37Å; I64-K67 PolarHBondContact O-N 3.15Å; I64-K67 VanDerWaalsContact O-N 3.1Å; F65-K67 VanDerWaalsContact C-N 3.3Å; F65-K67 PolarHBondContact O-N 3.22Å; K67-E84 WeakPolarHBondContact CE-OE1 3.29Å; K67-E84 IonicContact NZ-OE1 3.27Å; K67-E84 PolarHBondContact NZ-OE1 3.44Å; K67-E84 IonicContact NZ-OE2 3.53Å
68Y83.4Confident79.3Confident4 Ų471.1 Ų71.12%0.01634%0.341CS..Hα-helixtrans-111.6-4.8-172.7-58.2-81.2000114.6E10 I64 I76 N77 K80 F81 E84E10-Y68 WeakPolarHBondContact OE1-CE2 3.37Å; E10-Y68 PolarHBondContact OE1-OH 2.7Å; I64-Y68 HydrophobicContact CG2-CD2 3.98Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.47Å; Y68-I76 WeakPolarHBondContact O-CA 3.26Å; Y68-N77 PolarHBondContact O-N 3.01Å; Y68-K80 HydrophobicContact CD1-CB 4.18Å; Y68-K80 HydrophobicContact CD1-CD 4.13Å; Y68-K80 HydrophobicContact CD1-CG 4.07Å; Y68-K80 HydrophobicContact CE1-CB 4.47Å; Y68-K80 HydrophobicContact CE1-CD 4.39Å; Y68-K80 HydrophobicContact CE1-CG 4.07Å; Y68-F81 HydrophobicContact CD1-CB 3.9Å; Y68-F81 HydrophobicContact CD2-CD2 4.14Å; Y68-F81 VanDerWaalsContact CE1-CA 3.43Å; Y68-F81 HydrophobicContact CE1-CB 3.95Å; Y68-F81 HydrophobicContact CE1-CD2 4.36Å; Y68-F81 AromaticContact CE2-CD2 3.79Å; Y68-F81 HydrophobicContact CE2-CD2 3.79Å; Y68-F81 HydrophobicContact CG-CB 4.27Å; Y68-F81 AromaticContact CZ-CD2 3.91Å; Y68-E84 HydrophobicContact CE1-CB 4.44Å; Y68-E84 VanDerWaalsContact CE1-OE2 3.25Å; Y68-E84 WeakPolarHBondContact CE1-OE2 3.24Å; Y68-E84 WeakPolarHBondContact OH-CB 3.4Å; Y68-E84 PolarHBondContact OH-OE2 2.78Å
69G80Confident79.4Confident24 Ų2472.2 Ų72.225%0.24734%0.336CS..EExtended strand (participates in β ladder)trans-73140.3-179.600000114.3F65 Y75F65-G69 VanDerWaalsContact O-CA 3.28Å; F65-G69 WeakPolarHBondContact O-CA 3.46Å; F65-G69 PolarHBondContact O-N 3.38Å; G69-Y75 CarbonylContact C-O 3.58Å; G69-Y75 WeakPolarHBondContact CA-O 3.37Å
70V75.7Confident79.6Confident56 Ų5674.2 Ų74.234%0.33934%0.338SS..EExtended strand (participates in β ladder)trans-126.7148.2172.4-173.40000108.3Y38 R74 Y75Y38-V70 HydrophobicContact CD1-CG2 4.46Å; Y38-V70 HydrophobicContact CE1-CB 4.44Å; Y38-V70 HydrophobicContact CE1-CG2 3.97Å; V70-R74 PolarHBondContact O-N 3.37Å; V70-Y75 PolarHBondContact N-O 3.44Å; V70-Y75 PolarHBondContact O-N 3.17Å; V70-Y75 VanDerWaalsContact O-N 3.16Å
71D68.2Low80Confident112 Ų11272.8 Ų72.860%0.59933%0.331SS*.THydrogen-bonded Turntrans5468.6-178.1-69.3-19.9000115N73 R74 Y75D71-N73 PolarHBondContact O-N 2.92Å; D71-R74 WeakPolarHBondContact O-CB 3.29Å; D71-R74 PolarHBondContact O-N 3.31Å; D71-Y75 HydrophobicContact CB-CD2 4.36Å
72K64.7Low80Confident211 Ų21170.8 Ų70.892%0.91732%0.322SS*.THydrogen-bonded Turntrans53.539.1-178.5-58.1-179.2179.7179.50112.3R74K72-R74 PolarHBondContact O-N 3.34Å
73N64Low79.9Confident79 Ų7971.4 Ų71.442%0.42232%0.32SS..THydrogen-bonded Turntrans6121.6-178.1-58.1-12.8000114.7F65 D71F65-N73 HydrophobicContact CB-CB 4.48Å; F65-N73 HydrophobicContact CD1-CB 4.29Å; F65-N73 PolarHBondContact O-OD1 3.33Å; D71-N73 PolarHBondContact O-N 2.92Å
74R74.4Confident79.7Confident188 Ų18872.2 Ų72.271%0.70932%0.323SS*.THydrogen-bonded Turntrans-70.3-38.5172.4-78.3-172.8172.2-175.9-2.1111.9T40 G41 V70 D71 K72T40-R74 WeakPolarHBondContact CA-O 3.34Å; G41-R74 PolarHBondContact N-O 3.41Å; G41-R74 VanDerWaalsContact N-O 3.1Å; V70-R74 PolarHBondContact O-N 3.37Å; D71-R74 WeakPolarHBondContact O-CB 3.29Å; D71-R74 PolarHBondContact O-N 3.31Å; K72-R74 PolarHBondContact O-N 3.34Å
75Y82.5Confident79.6Confident102 Ų10272.6 Ų72.640%0.433%0.325SS..EExtended strand (participates in β ladder)trans-118142.9-178.5-62.4-76.9000110.2V39 T40 G69 V70 D71V39-Y75 CarbonylContact O-C 3.56Å; V39-Y75 WeakPolarHBondContact O-CA 3.34Å; T40-Y75 HydrophobicContact CG2-CD1 4.27Å; T40-Y75 HydrophobicContact CG2-CE1 3.98Å; G69-Y75 CarbonylContact C-O 3.58Å; G69-Y75 WeakPolarHBondContact CA-O 3.37Å; V70-Y75 PolarHBondContact N-O 3.44Å; V70-Y75 PolarHBondContact O-N 3.17Å; V70-Y75 VanDerWaalsContact O-N 3.16Å; D71-Y75 HydrophobicContact CB-CD2 4.36Å
76I84.9Confident78.9Confident0 Ų073.8 Ų73.80%033%0.331CS..EExtended strand (participates in β ladder)trans-109.7131.5171-73.7179.2000108.2Y38 V39 F44 F65 Y68 W78Y38-I76 WeakPolarHBondContact CA-O 3.37Å; V39-I76 PolarHBondContact N-O 3.21Å; V39-I76 PolarHBondContact O-N 3.15Å; F44-I76 HydrophobicContact CB-CB 4.27Å; F44-I76 HydrophobicContact CB-CD1 3.72Å; F44-I76 HydrophobicContact CB-CG1 4.49Å; F44-I76 HydrophobicContact CD1-CD1 3.35Å; F44-I76 HydrophobicContact CD1-CG2 4.46Å; F44-I76 HydrophobicContact CD2-CB 4.17Å; F44-I76 HydrophobicContact CD2-CD1 4.19Å; F44-I76 HydrophobicContact CD2-CG2 3.5Å; F44-I76 VanDerWaalsContact CD2-CG2 3.5Å; F44-I76 HydrophobicContact CE1-CD1 3.95Å; F44-I76 HydrophobicContact CE2-CG2 3.72Å; F44-I76 HydrophobicContact CG-CB 4.17Å; F44-I76 HydrophobicContact CG-CD1 3.48Å; F44-I76 VanDerWaalsContact CG-CD1 3.48Å; F44-I76 HydrophobicContact CG-CG1 4.42Å; F44-I76 HydrophobicContact CG-CG2 3.91Å; F44-I76 HydrophobicContact CZ-CG2 4.28Å; F65-I76 HydrophobicContact CD1-CD1 3.5Å; F65-I76 VanDerWaalsContact CD1-CD1 3.5Å; F65-I76 HydrophobicContact CD1-CG1 3.98Å; F65-I76 HydrophobicContact CE1-CD1 3.28Å; F65-I76 HydrophobicContact CE1-CG1 3.99Å; F65-I76 HydrophobicContact CG-CD1 4.49Å; F65-I76 HydrophobicContact CZ-CD1 4.16Å; Y68-I76 WeakPolarHBondContact O-CA 3.26Å; I76-W78 PolarHBondContact O-N 3.31Å
77N86.7Confident78Confident39 Ų3966.2 Ų66.221%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-74.990169.1-173.3-27000109.3Y38 Y68 R79 K80 F81Y38-N77 HydrophobicContact CD1-CB 4.1Å; Y38-N77 HydrophobicContact CE1-CB 3.92Å; Y68-N77 PolarHBondContact O-N 3.01Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 3.48Å; N77-R79 PolarHBondContact OD1-N 3.1Å; N77-K80 HydrophobicContact CB-CB 4.16Å; N77-K80 PolarHBondContact O-N 3.42Å; N77-K80 PolarHBondContact OD1-N 3.05Å; N77-F81 PolarHBondContact O-N 3.15Å
78W87.4Confident76.5Confident1 Ų168.6 Ų68.60%0.00431%0.314CS..Hα-helixtrans-69-29-178.269.3-95000112D25 F28 H29 D32 G37 V39 I76 K80 F81 V82D25-W78 WeakPolarHBondContact OD1-CZ3 3.33Å; F28-W78 HydrophobicContact CB-CB 4.44Å; F28-W78 HydrophobicContact CB-CD2 3.45Å; F28-W78 VanDerWaalsContact CB-CD2 3.45Å; F28-W78 HydrophobicContact CB-CE3 3.27Å; F28-W78 HydrophobicContact CB-CG 4Å; F28-W78 HydrophobicContact CB-CH2 4.08Å; F28-W78 HydrophobicContact CB-CZ2 4.24Å; F28-W78 HydrophobicContact CB-CZ3 3.62Å; F28-W78 HydrophobicContact CD1-CB 3.57Å; F28-W78 HydrophobicContact CD1-CD2 4.25Å; F28-W78 HydrophobicContact CD1-CE3 4.46Å; F28-W78 AromaticContact CD1-CG 3.9Å; F28-W78 HydrophobicContact CD1-CG 3.9Å; F28-W78 HydrophobicContact CD2-CB 4.36Å; F28-W78 HydrophobicContact CD2-CD2 4.48Å; F28-W78 AromaticContact CD2-CE3 3.9Å; F28-W78 HydrophobicContact CD2-CE3 3.9Å; F28-W78 HydrophobicContact CE1-CB 3.85Å; F28-W78 HydrophobicContact CG-CB 3.89Å; F28-W78 AromaticContact CG-CD2 3.84Å; F28-W78 HydrophobicContact CG-CD2 3.84Å; F28-W78 AromaticContact CG-CE3 3.65Å; F28-W78 HydrophobicContact CG-CE3 3.65Å; F28-W78 AromaticContact CG-CG 3.98Å; F28-W78 HydrophobicContact CG-CG 3.98Å; F28-W78 HydrophobicContact CG-CZ3 4.38Å; F28-W78 HydrophobicContact CZ-CB 4.37Å; H29-W78 AromaticContact CE1-CH2 3.81Å; H29-W78 AromaticContact ND1-CH2 3.93Å; D32-W78 HydrophobicContact CB-CZ2 4.44Å; D32-W78 PolarHBondContact OD2-NE1 3.39Å; D32-W78 VanDerWaalsContact OD2-NE1 3.11Å; G37-W78 VanDerWaalsContact C-NE1 3.33Å; G37-W78 PolarHBondContact O-N 2.89Å; V39-W78 HydrophobicContact CG2-CB 3.84Å; V39-W78 HydrophobicContact CG2-CG 4.19Å; I76-W78 PolarHBondContact O-N 3.31Å; W78-K80 VanDerWaalsContact C-N 3.3Å; W78-K80 PolarHBondContact O-N 3.17Å; W78-F81 CarbonylContact O-C 3.2Å; W78-F81 WeakPolarHBondContact O-CB 3.32Å; W78-F81 PolarHBondContact O-N 3.43Å; W78-V82 HydrophobicContact CE3-CB 4.37Å; W78-V82 HydrophobicContact CE3-CG2 3.67Å; W78-V82 HydrophobicContact CZ3-CG2 4.04Å; W78-V82 WeakPolarHBondContact O-CG2 3.33Å; W78-V82 PolarHBondContact O-N 3.45Å
79R82.6Confident74.8Confident110 Ų11073.8 Ų73.842%0.41534%0.335SS..Hα-helixtrans-64-38.5176.2-70.3-170-171.7-179.410111.6R35 N77 R83R35-R79 PolarHBondContact O-NH2 2.71Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 3.48Å; N77-R79 PolarHBondContact OD1-N 3.1Å; R79-R83 VanDerWaalsContact O-CB 3.32Å; R79-R83 WeakPolarHBondContact O-CB 3.44Å; R79-R83 PolarHBondContact O-N 2.76Å
80K83.8Confident73.1Confident93 Ų9377.6 Ų77.640%0.40435%0.349SS..Hα-helixtrans-64.3-44.6173-171-176.4175.7-172.50110.6Y68 N77 W78 R83 E84Y68-K80 HydrophobicContact CD1-CB 4.18Å; Y68-K80 HydrophobicContact CD1-CD 4.13Å; Y68-K80 HydrophobicContact CD1-CG 4.07Å; Y68-K80 HydrophobicContact CE1-CB 4.47Å; Y68-K80 HydrophobicContact CE1-CD 4.39Å; Y68-K80 HydrophobicContact CE1-CG 4.07Å; N77-K80 HydrophobicContact CB-CB 4.16Å; N77-K80 PolarHBondContact O-N 3.42Å; N77-K80 PolarHBondContact OD1-N 3.05Å; W78-K80 VanDerWaalsContact C-N 3.3Å; W78-K80 PolarHBondContact O-N 3.17Å; K80-R83 PolarHBondContact O-N 2.94Å; K80-E84 PolarHBondContact O-N 3.41Å
81F86.2Confident72Confident1 Ų183.6 Ų83.60%0.00437%0.374CS..Hα-helixtrans-59.7-48.3175.7175.2-99.4000112.7I13 F24 F28 F44 L48 Y68 N77 W78 R83 E84 I85I13-F81 HydrophobicContact CD1-CE2 4.46Å; I13-F81 HydrophobicContact CD1-CZ 4.43Å; I13-F81 HydrophobicContact CG2-CZ 4.28Å; F24-F81 HydrophobicContact CD1-CE1 4.26Å; F24-F81 HydrophobicContact CE1-CE1 4.43Å; F28-F81 AromaticContact CE2-CD1 3.89Å; F28-F81 HydrophobicContact CE2-CD1 3.89Å; F28-F81 HydrophobicContact CE2-CE1 4.04Å; F28-F81 HydrophobicContact CZ-CD1 4.01Å; F28-F81 HydrophobicContact CZ-CE1 4.13Å; F44-F81 HydrophobicContact CE2-CB 3.99Å; F44-F81 AromaticContact CE2-CD1 3.56Å; F44-F81 HydrophobicContact CE2-CD1 3.56Å; F44-F81 HydrophobicContact CE2-CD2 4.09Å; F44-F81 AromaticContact CE2-CE1 4Å; F44-F81 HydrophobicContact CE2-CE1 4Å; F44-F81 HydrophobicContact CE2-CE2 4.47Å; F44-F81 AromaticContact CE2-CG 3.6Å; F44-F81 HydrophobicContact CE2-CG 3.6Å; F44-F81 HydrophobicContact CE2-CZ 4.42Å; F44-F81 HydrophobicContact CZ-CB 4.32Å; F44-F81 AromaticContact CZ-CD1 3.78Å; F44-F81 HydrophobicContact CZ-CD1 3.78Å; F44-F81 AromaticContact CZ-CD2 3.6Å; F44-F81 HydrophobicContact CZ-CD2 3.6Å; F44-F81 AromaticContact CZ-CE1 3.9Å; F44-F81 HydrophobicContact CZ-CE1 3.9Å; F44-F81 AromaticContact CZ-CE2 3.72Å; F44-F81 HydrophobicContact CZ-CE2 3.72Å; F44-F81 AromaticContact CZ-CG 3.62Å; F44-F81 HydrophobicContact CZ-CG 3.62Å; F44-F81 AromaticContact CZ-CZ 3.86Å; F44-F81 HydrophobicContact CZ-CZ 3.86Å; L48-F81 HydrophobicContact CD1-CZ 4.34Å; L48-F81 HydrophobicContact CD2-CE1 4.01Å; L48-F81 HydrophobicContact CD2-CZ 3.69Å; L48-F81 HydrophobicContact CG-CZ 4.48Å; Y68-F81 HydrophobicContact CD1-CB 3.9Å; Y68-F81 HydrophobicContact CD2-CD2 4.14Å; Y68-F81 VanDerWaalsContact CE1-CA 3.43Å; Y68-F81 HydrophobicContact CE1-CB 3.95Å; Y68-F81 HydrophobicContact CE1-CD2 4.36Å; Y68-F81 AromaticContact CE2-CD2 3.79Å; Y68-F81 HydrophobicContact CE2-CD2 3.79Å; Y68-F81 HydrophobicContact CG-CB 4.27Å; Y68-F81 AromaticContact CZ-CD2 3.91Å; N77-F81 PolarHBondContact O-N 3.15Å; W78-F81 CarbonylContact O-C 3.2Å; W78-F81 WeakPolarHBondContact O-CB 3.32Å; W78-F81 PolarHBondContact O-N 3.43Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.41Å; F81-E84 PolarHBondContact O-N 2.86Å; F81-E84 VanDerWaalsContact O-N 3.16Å; F81-I85 HydrophobicContact CD1-CG1 4.37Å; F81-I85 HydrophobicContact CD2-CG1 3.99Å; F81-I85 HydrophobicContact CE1-CG1 4Å; F81-I85 HydrophobicContact CE2-CD1 4.07Å; F81-I85 HydrophobicContact CE2-CG1 3.6Å; F81-I85 HydrophobicContact CG-CG1 4.37Å; F81-I85 HydrophobicContact CZ-CD1 4.28Å; F81-I85 HydrophobicContact CZ-CG1 3.61Å; F81-I85 WeakPolarHBondContact O-CB 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.47Å; F81-I85 PolarHBondContact O-N 3.43Å
82V83.4Confident71.3Confident6 Ų684.1 Ų84.14%0.03638%0.376CS..Hα-helixtrans-62.5-40.9177.7171.90000110.9F24 D25 F28 W78 E84 I85 E86F24-V82 HydrophobicContact CB-CG2 3.8Å; D25-V82 HydrophobicContact CB-CG1 4.19Å; F28-V82 HydrophobicContact CD2-CG2 3.55Å; F28-V82 HydrophobicContact CE2-CG2 3.86Å; W78-V82 HydrophobicContact CE3-CB 4.37Å; W78-V82 HydrophobicContact CE3-CG2 3.67Å; W78-V82 HydrophobicContact CZ3-CG2 4.04Å; W78-V82 WeakPolarHBondContact O-CG2 3.33Å; W78-V82 PolarHBondContact O-N 3.45Å; V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.3Å; V82-I85 PolarHBondContact O-N 3.27Å; V82-E86 HydrophobicContact CG1-CB 4.25Å; V82-E86 HydrophobicContact CG1-CG 3.92Å; V82-E86 WeakPolarHBondContact CG1-OE2 3.48Å; V82-E86 WeakPolarHBondContact O-CA 3.29Å; V82-E86 VanDerWaalsContact O-CB 3.3Å; V82-E86 WeakPolarHBondContact O-CB 3.28Å; V82-E86 PolarHBondContact O-N 3.27Å
83R78.8Confident70.8Confident158 Ų15878 Ų7860%0.59635%0.354SS*.Hα-helixtrans-61.3-37.9175-166.1-178.2-60.1161.70.1112.5R79 K80 F81 G87R79-R83 VanDerWaalsContact O-CB 3.32Å; R79-R83 WeakPolarHBondContact O-CB 3.44Å; R79-R83 PolarHBondContact O-N 2.76Å; K80-R83 PolarHBondContact O-N 2.94Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.41Å; R83-G87 VanDerWaalsContact O-CA 3.26Å; R83-G87 WeakPolarHBondContact O-CA 3.39Å; R83-G87 PolarHBondContact O-N 3.07Å; R83-G87 VanDerWaalsContact O-N 3.11Å
84E78.2Confident70.4Confident61 Ų6182.6 Ų82.629%0.28537%0.37SS..Hα-helixtrans-78.8-27.3178.8-110.8164.4134.900114.2R14 K67 Y68 K80 F81 V82R14-E84 PolarHBondContact NH2-O 2.84Å; K67-E84 WeakPolarHBondContact CE-OE1 3.29Å; K67-E84 IonicContact NZ-OE1 3.27Å; K67-E84 PolarHBondContact NZ-OE1 3.44Å; K67-E84 IonicContact NZ-OE2 3.53Å; Y68-E84 HydrophobicContact CE1-CB 4.44Å; Y68-E84 VanDerWaalsContact CE1-OE2 3.25Å; Y68-E84 WeakPolarHBondContact CE1-OE2 3.24Å; Y68-E84 WeakPolarHBondContact OH-CB 3.4Å; Y68-E84 PolarHBondContact OH-OE2 2.78Å; K80-E84 PolarHBondContact O-N 3.41Å; F81-E84 PolarHBondContact O-N 2.86Å; F81-E84 VanDerWaalsContact O-N 3.16Å; V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.3Å
85I78.4Confident69.9Low9 Ų978.3 Ų78.35%0.04637%0.369CS..Hα-helixtrans-91.8-51.4179.3-62.9-64.3000112.2E10 I13 F24 F81 V82E10-I85 HydrophobicContact CB-CD1 4.08Å; E10-I85 HydrophobicContact CG-CD1 4.14Å; I13-I85 HydrophobicContact CG2-CD1 4.26Å; I13-I85 HydrophobicContact CG2-CG2 4.4Å; F24-I85 HydrophobicContact CD2-CG2 3.87Å; F24-I85 HydrophobicContact CE2-CG2 3.43Å; F24-I85 VanDerWaalsContact CE2-CG2 3.43Å; F24-I85 HydrophobicContact CZ-CG2 4.12Å; F81-I85 HydrophobicContact CD1-CG1 4.37Å; F81-I85 HydrophobicContact CD2-CG1 3.99Å; F81-I85 HydrophobicContact CE1-CG1 4Å; F81-I85 HydrophobicContact CE2-CD1 4.07Å; F81-I85 HydrophobicContact CE2-CG1 3.6Å; F81-I85 HydrophobicContact CG-CG1 4.37Å; F81-I85 HydrophobicContact CZ-CD1 4.28Å; F81-I85 HydrophobicContact CZ-CG1 3.61Å; F81-I85 WeakPolarHBondContact O-CB 3.29Å; F81-I85 WeakPolarHBondContact O-CG1 3.47Å; F81-I85 PolarHBondContact O-N 3.43Å; V82-I85 PolarHBondContact O-N 3.27Å
86E68.8Low68.5Low55 Ų5576.6 Ų76.626%0.25737%0.369SS..Hα-helixtrans-78.9-22.5179.4-65.8-170170.900112.5F24 D25 V82 K88F24-E86 WeakPolarHBondContact CA-OE1 3.38Å; F24-E86 HydrophobicContact CB-CG 4.44Å; F24-E86 WeakPolarHBondContact CB-OE1 3.4Å; F24-E86 HydrophobicContact CD2-CG 4.06Å; F24-E86 PolarHBondContact N-OE1 2.87Å; D25-E86 PolarHBondContact N-OE1 3.08Å; V82-E86 HydrophobicContact CG1-CB 4.25Å; V82-E86 HydrophobicContact CG1-CG 3.92Å; V82-E86 WeakPolarHBondContact CG1-OE2 3.48Å; V82-E86 WeakPolarHBondContact O-CA 3.29Å; V82-E86 VanDerWaalsContact O-CB 3.3Å; V82-E86 WeakPolarHBondContact O-CB 3.28Å; V82-E86 PolarHBondContact O-N 3.27Å; E86-K88 HydrophobicContact CB-CG 4.37Å; E86-K88 PolarHBondContact O-N 3.49Å; E86-K88 WeakPolarHBondContact OE2-CD 3.31Å; E86-K88 WeakPolarHBondContact OE2-CE 3.36Å; E86-K88 IonicContact OE2-NZ 2.9Å; E86-K88 PolarHBondContact OE2-NZ 3.47Å
87G63.3Low66.9Low20 Ų2080.3 Ų80.321%0.20639%0.392CS..  trans63.529.1-177.900000112.9R83 Y89R83-G87 VanDerWaalsContact O-CA 3.26Å; R83-G87 WeakPolarHBondContact O-CA 3.39Å; R83-G87 PolarHBondContact O-N 3.07Å; R83-G87 VanDerWaalsContact O-N 3.11Å; G87-Y89 VanDerWaalsContact C-N 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.49Å; G87-Y89 WeakPolarHBondContact O-CE2 3.3Å; G87-Y89 PolarHBondContact O-N 3.45Å
88K51.4Low65Low112 Ų11281 Ų8149%0.48740%0.399SS..  trans-70.788.3171-79.8179178.21520109.2D25 E86D25-K88 IonicContact OD2-NZ 3.33Å; D25-K88 PolarHBondContact OD2-NZ 3.43Å; E86-K88 HydrophobicContact CB-CG 4.37Å; E86-K88 PolarHBondContact O-N 3.49Å; E86-K88 WeakPolarHBondContact OE2-CD 3.31Å; E86-K88 WeakPolarHBondContact OE2-CE 3.36Å; E86-K88 IonicContact OE2-NZ 2.9Å; E86-K88 PolarHBondContact OE2-NZ 3.47Å
89Y48.2Very low63.2Low113 Ų11388 Ų8844%0.44343%0.432SS..  trans-71.1146.2166.8-63.7-83000109.1G87 E91 K101G87-Y89 VanDerWaalsContact C-N 3.3Å; G87-Y89 WeakPolarHBondContact O-CD2 3.49Å; G87-Y89 WeakPolarHBondContact O-CE2 3.3Å; G87-Y89 PolarHBondContact O-N 3.45Å; Y89-E91 PolarHBondContact O-N 2.86Å; Y89-K101 HydrophobicContact CD2-CB 4.38Å; Y89-K101 HydrophobicContact CD2-CG 4.41Å; Y89-K101 HydrophobicContact CE2-CB 4.34Å
90D44.4Very low61.7Low103 Ų10386.8 Ų86.855%0.55144%0.439SS*.  trans-52.8122.1177.2-164-19.9000108.5N92 D93D90-N92 PolarHBondContact O-N 3.47Å; D90-N92 WeakPolarHBondContact OD1-CB 3.28Å; D90-N92 PolarHBondContact OD1-N 3.4Å; D90-N92 PolarHBondContact OD1-ND2 3.32Å; D90-D93 HydrophobicContact CB-CB 4Å; D90-D93 PolarHBondContact O-N 2.96Å
91E52Low60Low183 Ų18386.1 Ų86.186%0.85544%0.437SS*.THydrogen-bonded Turntrans-57.9-14.7178.2-68.2-179.3170.800111.6Y89Y89-E91 PolarHBondContact O-N 2.86Å
92N52.9Low58.2Low122 Ų12291.2 Ų91.265%0.65247%0.467SS*.THydrogen-bonded Turntrans-98.5-6.2178.5-51.3-63.1000114.6D90 F94D90-N92 PolarHBondContact O-N 3.47Å; D90-N92 WeakPolarHBondContact OD1-CB 3.28Å; D90-N92 PolarHBondContact OD1-N 3.4Å; D90-N92 PolarHBondContact OD1-ND2 3.32Å; N92-F94 VanDerWaalsContact O-CD2 3.26Å; N92-F94 WeakPolarHBondContact O-CD2 3.4Å; N92-F94 PolarHBondContact O-N 3.38Å
93D53.7Low56.3Low84 Ų8494.3 Ų94.345%0.44948%0.483SS..  trans-9186.6177.9-166.40.7000110.7D90 S95D90-D93 HydrophobicContact CB-CB 4Å; D90-D93 PolarHBondContact O-N 2.96Å; D93-S95 PolarHBondContact O-N 3.47Å; D93-S95 VanDerWaalsContact OD1-CB 3.24Å; D93-S95 WeakPolarHBondContact OD1-CB 3.24Å; D93-S95 PolarHBondContact OD1-N 3.33Å; D93-S95 PolarHBondContact OD1-OG 3.35Å
94F56.1Low54.6Low175 Ų17595.4 Ų95.477%0.76850%0.495SS*.THydrogen-bonded Turntrans-77.86.3177.6-60.8-80.1000113.5N92N92-F94 VanDerWaalsContact O-CD2 3.26Å; N92-F94 WeakPolarHBondContact O-CD2 3.4Å; N92-F94 PolarHBondContact O-N 3.38Å
95S63.5Low52.8Low98 Ų9894.2 Ų94.269%0.68549%0.492SS*.THydrogen-bonded Turntrans-78.1-15-175.770.70000114.9D93D93-S95 PolarHBondContact O-N 3.47Å; D93-S95 VanDerWaalsContact OD1-CB 3.24Å; D93-S95 WeakPolarHBondContact OD1-CB 3.24Å; D93-S95 PolarHBondContact OD1-N 3.33Å; D93-S95 PolarHBondContact OD1-OG 3.35Å
96V53.4Low51.1Low65 Ų6599.8 Ų99.839%0.39452%0.521SS..SBendtrans-119.7134.1-176.7-170.60000111.7K101V96-K101 WeakPolarHBondContact O-CE 3.37Å; V96-K101 PolarHBondContact O-NZ 3.48Å
97T51.1Low49.4Very low79 Ų79100.8 Ų100.849%0.48555%0.546SS..  trans-71.1144.7-179.349.10000112.7E99 S100 K101T97-E99 VanDerWaalsContact C-N 3.28Å; T97-E99 PolarHBondContact O-N 3.39Å; T97-S100 PolarHBondContact O-N 2.96Å; T97-S100 PolarHBondContact OG1-OG 3.3Å; T97-S100 VanDerWaalsContact OG1-OG 3.12Å; T97-K101 VanDerWaalsContact C-CE 3.47Å; T97-K101 WeakPolarHBondContact O-CE 3.36Å; T97-K101 WeakPolarHBondContact O-CG 3.4Å
98P48.1Very low48.1Very low54 Ų54102.8 Ų102.835%0.35156%0.557SS.*G310 helixtrans-62.9-23.6-173.522.3-30000116.4K101 E297P98-K101 HydrophobicContact CB-CD 4.2Å; P98-K101 WeakPolarHBondContact O-CB 3.38Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; P98-E297 WeakPolarHBondContact CD-OE1 3.29Å; P98-E297 WeakPolarHBondContact CG-OE1 3.44Å
99E49.6Very low47.4Very low148 Ų148102.8 Ų102.869%0.69257%0.568SS**G310 helixtrans-77-31.1179.3-54.8-173.9-179.400112T97 K101T97-E99 VanDerWaalsContact C-N 3.28Å; T97-E99 PolarHBondContact O-N 3.39Å; E99-K101 PolarHBondContact O-N 2.84Å
100S51.4Low47.1Very low83 Ų83102 Ų10258%0.5858%0.579SS**G310 helixtrans-71.4-9168.8-48.70000112.5T97T97-S100 PolarHBondContact O-N 2.96Å; T97-S100 PolarHBondContact OG1-OG 3.3Å; T97-S100 VanDerWaalsContact OG1-OG 3.12Å
101K47.3Very low46.8Very low80 Ų80102.5 Ų102.535%0.34859%0.586SS.*G310 helixtrans-84.3-5.8179.9-54.7177.2-163.8162.50113.3Y89 V96 T97 P98 E99Y89-K101 HydrophobicContact CD2-CB 4.38Å; Y89-K101 HydrophobicContact CD2-CG 4.41Å; Y89-K101 HydrophobicContact CE2-CB 4.34Å; V96-K101 WeakPolarHBondContact O-CE 3.37Å; V96-K101 PolarHBondContact O-NZ 3.48Å; T97-K101 VanDerWaalsContact C-CE 3.47Å; T97-K101 WeakPolarHBondContact O-CE 3.36Å; T97-K101 WeakPolarHBondContact O-CG 3.4Å; P98-K101 HydrophobicContact CB-CD 4.2Å; P98-K101 WeakPolarHBondContact O-CB 3.38Å; P98-K101 PolarHBondContact O-N 3.21Å; P98-K101 VanDerWaalsContact O-N 3.14Å; E99-K101 PolarHBondContact O-N 2.84Å
102V47.8Very low46.3Very low107 Ų10796.5 Ų96.565%0.64857%0.573SS**SBendtrans-100.2101.7178.7-1730000110.6Q104V102-Q104 PolarHBondContact O-N 2.93Å
103L44.8Very low45.8Very low71 Ų7192.7 Ų92.737%0.37255%0.554SS.*  trans-63.8115.7171.3-73.5161.3000110.2T105L103-T105 PolarHBondContact O-N 2.93Å
104Q43.1Very low45.4Very low181 Ų18197.9 Ų97.985%0.84657%0.573SS**  trans-65.2112.7173.3-67.9-179.2-1.500110.1V102V102-Q104 PolarHBondContact O-N 2.93Å
105T39Very low44.8Very low37 Ų3789.9 Ų89.923%0.22754%0.538CS..  trans-84122.5165.626.60000110N11 R14 D15 L103 G107N11-T105 HydrophobicContact CB-CG2 4.11Å; R14-T105 HydrophobicContact CB-CG2 4.18Å; R14-T105 HydrophobicContact CG-CG2 4.29Å; D15-T105 VanDerWaalsContact OD1-CB 3.3Å; D15-T105 WeakPolarHBondContact OD1-CB 3.25Å; D15-T105 VanDerWaalsContact OD1-CG2 3.31Å; D15-T105 WeakPolarHBondContact OD1-CG2 3.38Å; D15-T105 PolarHBondContact OD1-OG1 3.03Å; L103-T105 PolarHBondContact O-N 2.93Å; T105-G107 PolarHBondContact O-N 3.33Å
106I42.4Very low43.8Very low126 Ų12693.6 Ų93.665%0.64655%0.545SS*.  trans-63.2120.2174.9-61.2167.4000107.7S108I106-S108 PolarHBondContact O-N 3.46Å; I106-S108 PolarHBondContact O-OG 3.09Å
107G33.7Very low43.6Very low76 Ų7692.7 Ų92.778%0.78454%0.536SS*.  trans-59.1100.6-177.500000112.5T105T105-G107 PolarHBondContact O-N 3.33Å
108S35.5Very low43.6Very low61 Ų6194.6 Ų94.643%0.42754%0.538SS..  trans-81.2128.8173-51.30000109.1I106 S110I106-S108 PolarHBondContact O-N 3.46Å; I106-S108 PolarHBondContact O-OG 3.09Å; S108-S110 PolarHBondContact O-N 3.41Å
109P37.4Very low43.4Very low112 Ų112100.1 Ų100.173%0.72756%0.563SS**THydrogen-bonded Turntrans-71.823-170.720.9-24000116.2
110S41.3Very low43.2Very low96 Ų9697.5 Ų97.567%0.67155%0.548SS*.THydrogen-bonded Turntrans-116.111-162-54.50000115.5S108 G112S108-S110 PolarHBondContact O-N 3.41Å; S110-G112 PolarHBondContact O-N 3.47Å
111V37.8Very low43Very low114 Ų11499.9 Ų99.969%0.69155%0.554SS**SBendtrans-9987.7179.6-171.20000109
112G42.5Very low43.3Very low57 Ų57103 Ų10359%0.58858%0.575SS**SBendtrans153.6-38.8167.300000116.7S110S110-G112 PolarHBondContact O-N 3.47Å
113T42.6Very low43.7Very low42 Ų42101.1 Ų101.126%0.25858%0.576SS.*  trans-122.1119.7-175.2470000110.9S115 L200T113-S115 VanDerWaalsContact C-N 3.29Å; T113-L200 HydrophobicContact CG2-CB 4.03Å
114K45.7Very low44.4Very low194 Ų194104.9 Ų104.984%0.84359%0.59SS**SBendtrans-77.5-12.4175.3-72.9-179.3-179.2171.90113.5
115S43.1Very low45.2Very low6 Ų698.6 Ų98.64%0.04256%0.562CS.*SBendtrans-116.4127.1-171.6-63.60000110.9T113 H117 E160 T192T113-S115 VanDerWaalsContact C-N 3.29Å; S115-H117 PolarHBondContact O-CD2 2.85Å; S115-H117 PolarHBondContact O-N 3.49Å; S115-E160 PolarHBondContact OG-OE1 3.08Å; S115-T192 WeakPolarHBondContact OG-CG2 3.31Å; S115-T192 PolarHBondContact OG-OG1 2.99Å
116Q42.9Very low46.5Very low176 Ų176104 Ų10482%0.82259%0.585SS**PPolyproline II helixtrans-67.9121.8164.3-65.6178.5-10.300107L191Q116-L191 WeakPolarHBondContact O-CD1 3.4Å
117H48.8Very low48Very low46 Ų46103.2 Ų103.221%0.21357%0.574CS.*PPolyproline II helixtrans-96142.2172.8-70.1-75.8000111.1S115 L119 D198 A201S115-H117 PolarHBondContact O-CD2 2.85Å; S115-H117 PolarHBondContact O-N 3.49Å; H117-L119 PolarHBondContact O-N 2.91Å; H117-D198 IonicContact CD2-OD2 3.79Å; H117-D198 WeakPolarHBondContact CE1-CB 3.43Å; H117-D198 IonicContact CE1-OD2 3.73Å; H117-D198 WeakPolarHBondContact NE2-CB 3.21Å; H117-D198 IonicContact NE2-OD2 3.99Å; H117-D198 PolarHBondContact NE2-OD2 3.24Å; H117-A201 WeakPolarHBondContact CD2-CB 3.47Å
118K50.4Low50Low119 Ų119100.5 Ų100.552%0.51754%0.542SS..PPolyproline II helixtrans-71.4121.4-172.1-105.9172.2-178176.30111.4Y120 L191K118-Y120 HydrophobicContact CB-CD2 3.65Å; K118-Y120 HydrophobicContact CB-CE2 3.55Å; K118-Y120 HydrophobicContact CD-CD2 4.41Å; K118-Y120 HydrophobicContact CD-CE2 3.56Å; K118-Y120 HydrophobicContact CG-CE2 4.17Å; K118-Y120 PolarHBondContact O-N 2.87Å; K118-Y120 VanDerWaalsContact O-N 3.15Å; K118-L191 HydrophobicContact CB-CD1 4.23Å; K118-L191 HydrophobicContact CD-CD1 4.41Å; K118-L191 HydrophobicContact CD-CD2 4.2Å; K118-L191 HydrophobicContact CG-CD1 3.97Å
119L43.7Very low52Low170 Ų170103.4 Ų103.489%0.8955%0.546SS*.  trans-62.1104.4159.1-70.7136.6000108.8H117H117-L119 PolarHBondContact O-N 2.91Å
120Y46.7Very low54.1Low93 Ų93101 Ų10137%0.36554%0.536SS..  trans-94.2151-175.4-102.5-81.7000114K118 L125K118-Y120 HydrophobicContact CB-CD2 3.65Å; K118-Y120 HydrophobicContact CB-CE2 3.55Å; K118-Y120 HydrophobicContact CD-CD2 4.41Å; K118-Y120 HydrophobicContact CD-CE2 3.56Å; K118-Y120 HydrophobicContact CG-CE2 4.17Å; K118-Y120 PolarHBondContact O-N 2.87Å; K118-Y120 VanDerWaalsContact O-N 3.15Å; Y120-L125 WeakPolarHBondContact O-CD1 3.33Å
121N46.1Very low56.1Low133 Ų13396.7 Ų96.771%0.71151%0.506SS*.  trans-43.9138.3-170.7-65.5-20.5000116.4G123 K124 L125N121-G123 VanDerWaalsContact C-N 3.32Å; N121-G123 PolarHBondContact O-N 3.36Å; N121-K124 PolarHBondContact O-N 2.97Å; N121-L125 PolarHBondContact O-N 2.84Å
122D53.5Low58.3Low147 Ų14791.7 Ų91.779%0.78648%0.475SS*.Hα-helixtrans-38.4-45.9-170.3-147.112.8000115.6L125D122-L125 PolarHBondContact O-N 3.18Å
123G57Low60.3Low66 Ų6690.4 Ų90.468%0.6846%0.457SS*.Hα-helixtrans-74.4-27.1-177.700000115.7N121N121-G123 VanDerWaalsContact C-N 3.32Å; N121-G123 PolarHBondContact O-N 3.36Å
124K58.6Low62.2Low151 Ų15192.7 Ų92.766%0.65746%0.461SS*.Hα-helixtrans-86.5-26.4172.9-77.3-169.8176.6-171.10111.4N121 E126 Y127 I128N121-K124 PolarHBondContact O-N 2.97Å; K124-E126 VanDerWaalsContact C-N 3.3Å; K124-E126 PolarHBondContact O-N 3.5Å; K124-Y127 PolarHBondContact O-N 3.24Å; K124-I128 HydrophobicContact CB-CD1 4.19Å; K124-I128 WeakPolarHBondContact O-CB 3.46Å; K124-I128 VanDerWaalsContact O-CD1 3.25Å; K124-I128 WeakPolarHBondContact O-CD1 3.46Å; K124-I128 WeakPolarHBondContact O-CG1 3.32Å; K124-I128 PolarHBondContact O-N 3.37Å
125L60.2Low64.1Low49 Ų4983.5 Ų83.526%0.25742%0.421SS..Hα-helixtrans-64.1-35.1-178.5-155.9109.4000112Y120 N121 D122 K129Y120-L125 WeakPolarHBondContact O-CD1 3.33Å; N121-L125 PolarHBondContact O-N 2.84Å; D122-L125 PolarHBondContact O-N 3.18Å; L125-K129 HydrophobicContact CD2-CD 4Å; L125-K129 VanDerWaalsContact CD2-CE 3.41Å; L125-K129 VanDerWaalsContact O-CB 3.24Å; L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 VanDerWaalsContact O-CG 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.4Å; L125-K129 PolarHBondContact O-N 3.26Å
126E67.2Low66.1Low151 Ų15183.3 Ų83.371%0.70642%0.419SS*.Hα-helixtrans-71-40.8176.7-159.4166.5-147.600111.9K124 K129 A130K124-E126 VanDerWaalsContact C-N 3.3Å; K124-E126 PolarHBondContact O-N 3.5Å; E126-K129 PolarHBondContact O-N 2.83Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.14Å
127Y73.9Confident68Low108 Ų10880.1 Ų80.142%0.42440%0.404SS..Hα-helixtrans-61.9-43.6171.9-176.8-102.8000112K124 A130 L131 E180K124-Y127 PolarHBondContact O-N 3.24Å; Y127-A130 PolarHBondContact O-N 2.68Å; Y127-L131 VanDerWaalsContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CB 3.21Å; Y127-L131 PolarHBondContact O-N 2.96Å; Y127-E180 HydrophobicContact CE1-CG 4.49Å; Y127-E180 WeakPolarHBondContact OH-CG 3.47Å
128I74.2Confident69.6Low19 Ų1980.5 Ų80.510%0.09741%0.405CS..Hα-helixtrans-69.1-40.3177.1-64.2153.9000111K124 L131 L132 C187K124-I128 HydrophobicContact CB-CD1 4.19Å; K124-I128 WeakPolarHBondContact O-CB 3.46Å; K124-I128 VanDerWaalsContact O-CD1 3.25Å; K124-I128 WeakPolarHBondContact O-CD1 3.46Å; K124-I128 WeakPolarHBondContact O-CG1 3.32Å; K124-I128 PolarHBondContact O-N 3.37Å; I128-L131 CarbonylContact O-C 3.42Å; I128-L131 WeakPolarHBondContact O-CB 3.24Å; I128-L131 PolarHBondContact O-N 2.88Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.09Å; I128-L132 WeakPolarHBondContact O-CB 3.35Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.28Å; I128-L132 PolarHBondContact O-N 3.35Å; I128-C187 WeakPolarHBondContact CD1-SG 3.45Å
129K78.3Confident71.2Confident122 Ų12275.6 Ų75.653%0.5339%0.385SS..Hα-helixtrans-63.6-41.6174.7-82.8176.8174.51760111.7L125 E126 L131 L132 S133L125-K129 HydrophobicContact CD2-CD 4Å; L125-K129 VanDerWaalsContact CD2-CE 3.41Å; L125-K129 VanDerWaalsContact O-CB 3.24Å; L125-K129 WeakPolarHBondContact O-CB 3.33Å; L125-K129 VanDerWaalsContact O-CG 3.25Å; L125-K129 WeakPolarHBondContact O-CG 3.4Å; L125-K129 PolarHBondContact O-N 3.26Å; E126-K129 PolarHBondContact O-N 2.83Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-L132 PolarHBondContact O-N 3.12Å; K129-S133 WeakPolarHBondContact O-CB 3.45Å; K129-S133 PolarHBondContact O-N 2.87Å
130A81.8Confident73Confident61 Ų6172.3 Ų72.350%0.50436%0.361SS..Hα-helixtrans-63.2-41.917400000111E126 Y127 R134E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.14Å; Y127-A130 PolarHBondContact O-N 2.68Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 3.39Å
131L83.3Confident74.6Confident7 Ų774.1 Ų74.14%0.03738%0.377CS..Hα-helixtrans-63.2-46.3174.3-175.664.4000111.8Y127 I128 K129 R134 I135 E180 L184Y127-L131 VanDerWaalsContact O-CB 3.32Å; Y127-L131 WeakPolarHBondContact O-CB 3.21Å; Y127-L131 PolarHBondContact O-N 2.96Å; I128-L131 CarbonylContact O-C 3.42Å; I128-L131 WeakPolarHBondContact O-CB 3.24Å; I128-L131 PolarHBondContact O-N 2.88Å; K129-L131 VanDerWaalsContact C-N 3.33Å; L131-R134 VanDerWaalsContact CD1-NH2 3.32Å; L131-R134 PolarHBondContact O-N 2.98Å; L131-I135 HydrophobicContact CD1-CD1 4.32Å; L131-I135 HydrophobicContact CG-CD1 3.94Å; L131-I135 WeakPolarHBondContact O-CB 3.5Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.33Å; L131-E180 HydrophobicContact CD1-CB 4.19Å; L131-E180 HydrophobicContact CD1-CG 4.28Å; L131-E180 HydrophobicContact CD2-CB 4.3Å; L131-L184 HydrophobicContact CD2-CB 4.22Å; L131-L184 HydrophobicContact CD2-CD1 3.93Å; L131-L184 HydrophobicContact CG-CD1 4.31Å
132L84.7Confident76.1Confident8 Ų873.2 Ų73.24%0.04237%0.368CS..Hα-helixtrans-66.7-37.4177.7-73173.8000112.3I128 K129 I135 N136 L184 Y188 F202 I206 I209I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.09Å; I128-L132 WeakPolarHBondContact O-CB 3.35Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.28Å; I128-L132 PolarHBondContact O-N 3.35Å; K129-L132 PolarHBondContact O-N 3.12Å; L132-I135 CarbonylContact O-C 3.36Å; L132-I135 PolarHBondContact O-N 3.35Å; L132-N136 VanDerWaalsContact O-CB 3.31Å; L132-N136 WeakPolarHBondContact O-CB 3.23Å; L132-N136 PolarHBondContact O-N 2.85Å; L132-L184 HydrophobicContact CD2-CD1 4.33Å; L132-Y188 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y188 HydrophobicContact CD2-CE2 4.24Å; L132-Y188 WeakPolarHBondContact CD2-OH 3.44Å; L132-F202 HydrophobicContact CD2-CD2 3.91Å; L132-F202 HydrophobicContact CD2-CE2 3.67Å; L132-I206 HydrophobicContact CD2-CG1 4.31Å; L132-I209 HydrophobicContact CB-CD1 3.46Å; L132-I209 VanDerWaalsContact CB-CD1 3.46Å; L132-I209 HydrophobicContact CD1-CD1 3.89Å; L132-I209 HydrophobicContact CG-CD1 4.3Å
133S83.7Confident77.3Confident30 Ų3069 Ų6921%0.2136%0.36CS..Hα-helixtrans-68.7-39.8173.7-177.30000110.7K129 I135 N136 Q137 E213K129-S133 WeakPolarHBondContact O-CB 3.45Å; K129-S133 PolarHBondContact O-N 2.87Å; S133-I135 VanDerWaalsContact C-N 3.31Å; S133-I135 PolarHBondContact O-N 3.27Å; S133-N136 PolarHBondContact O-N 2.97Å; S133-Q137 WeakPolarHBondContact O-CB 3.17Å; S133-Q137 VanDerWaalsContact O-CG 3.3Å; S133-Q137 WeakPolarHBondContact O-CG 3.3Å; S133-Q137 PolarHBondContact O-N 3.08Å; S133-E213 PolarHBondContact OG-OE1 3.4Å
134R83.3Confident78.4Confident91 Ų9170.9 Ų70.934%0.34335%0.347SS..Hα-helixtrans-60.7-40.2171.4-169.4176.172.8178.5-0111.7A130 L131 F138 E180A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 3.39Å; L131-R134 VanDerWaalsContact CD1-NH2 3.32Å; L131-R134 PolarHBondContact O-N 2.98Å; R134-F138 PolarHBondContact O-N 2.96Å; R134-F138 VanDerWaalsContact O-N 3.13Å; R134-E180 IonicContact CZ-OE1 2.81Å; R134-E180 IonicContact CZ-OE2 2.69Å; R134-E180 IonicContact NH1-OE1 3.64Å; R134-E180 PolarHBondContact NH1-OE1 3.36Å; R134-E180 IonicContact NH1-OE2 3.97Å; R134-E180 IonicContact NH2-OE1 3.73Å; R134-E180 PolarHBondContact NH2-OE1 3.11Å; R134-E180 VanDerWaalsContact NH2-OE1 3.14Å; R134-E180 IonicContact NH2-OE2 3.09Å; R134-E180 PolarHBondContact NH2-OE2 3.01Å
135I84.9Confident79.5Confident0 Ų068.5 Ų68.50%034%0.34CS..Hα-helixtrans-69.1-42174.5-67.3161.2000111L131 L132 S133 F138 I139 F170 I176 L184 F202 I206L131-I135 HydrophobicContact CD1-CD1 4.32Å; L131-I135 HydrophobicContact CG-CD1 3.94Å; L131-I135 WeakPolarHBondContact O-CB 3.5Å; L131-I135 WeakPolarHBondContact O-CD1 3.35Å; L131-I135 WeakPolarHBondContact O-CG1 3.35Å; L131-I135 PolarHBondContact O-N 3.33Å; L132-I135 CarbonylContact O-C 3.36Å; L132-I135 PolarHBondContact O-N 3.35Å; S133-I135 VanDerWaalsContact C-N 3.31Å; S133-I135 PolarHBondContact O-N 3.27Å; I135-F138 CarbonylContact O-C 3.51Å; I135-F138 WeakPolarHBondContact O-CB 3.48Å; I135-F138 PolarHBondContact O-N 3.37Å; I135-F138 VanDerWaalsContact O-N 3.15Å; I135-I139 HydrophobicContact CG2-CD1 3.57Å; I135-I139 HydrophobicContact CG2-CG1 4.18Å; I135-I139 WeakPolarHBondContact O-CB 3.32Å; I135-I139 VanDerWaalsContact O-CG1 3.32Å; I135-I139 WeakPolarHBondContact O-CG1 3.47Å; I135-I139 PolarHBondContact O-N 3.01Å; I135-F170 HydrophobicContact CD1-CE2 4.32Å; I135-F170 HydrophobicContact CD1-CZ 3.78Å; I135-F170 HydrophobicContact CG1-CZ 4.18Å; I135-I176 HydrophobicContact CD1-CD1 4.37Å; I135-I176 HydrophobicContact CG1-CD1 3.99Å; I135-L184 HydrophobicContact CD1-CD1 3.32Å; I135-F202 HydrophobicContact CG2-CE2 4.5Å; I135-F202 HydrophobicContact CG2-CZ 4.02Å; I135-I206 HydrophobicContact CG2-CD1 3.99Å
136N84.3Confident80.6Confident3 Ų366.4 Ų66.42%0.01633%0.329CS..Hα-helixtrans-63.8-42.1177.8-171.841.5000111.3L132 S133 F138 I139 R140 I206 I209 E213L132-N136 VanDerWaalsContact O-CB 3.31Å; L132-N136 WeakPolarHBondContact O-CB 3.23Å; L132-N136 PolarHBondContact O-N 2.85Å; S133-N136 PolarHBondContact O-N 2.97Å; N136-F138 VanDerWaalsContact C-N 3.31Å; N136-F138 PolarHBondContact O-N 3.45Å; N136-I139 PolarHBondContact O-N 3.4Å; N136-R140 WeakPolarHBondContact O-CB 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.31Å; N136-R140 PolarHBondContact O-N 3.24Å; N136-I206 HydrophobicContact CB-CG2 4.43Å; N136-I206 WeakPolarHBondContact OD1-CG2 3.48Å; N136-I209 HydrophobicContact CB-CG2 4.26Å; N136-E213 PolarHBondContact ND2-OE2 3.39Å
137Q82.9Confident81.3Confident108 Ų10865.6 Ų65.651%0.50532%0.32SS..Hα-helixtrans-59.9-42.7172.6-73.31767.600111.1S133 N141S133-Q137 WeakPolarHBondContact O-CB 3.17Å; S133-Q137 VanDerWaalsContact O-CG 3.3Å; S133-Q137 WeakPolarHBondContact O-CG 3.3Å; S133-Q137 PolarHBondContact O-N 3.08Å; Q137-N141 VanDerWaalsContact O-CB 3.23Å; Q137-N141 WeakPolarHBondContact O-CB 3.31Å; Q137-N141 PolarHBondContact O-N 2.65Å; Q137-N141 PolarHBondContact O-ND2 3.36Å; Q137-N141 PolarHBondContact O-OD1 3.49Å
138F83.8Confident81.8Confident54 Ų5466.9 Ų66.924%0.23733%0.329CS..Hα-helixtrans-65.3-42.6175.6-171.8-98.2000112.5R134 I135 N136 N141 Q142 Y144 G172 P173R134-F138 PolarHBondContact O-N 2.96Å; R134-F138 VanDerWaalsContact O-N 3.13Å; I135-F138 CarbonylContact O-C 3.51Å; I135-F138 WeakPolarHBondContact O-CB 3.48Å; I135-F138 PolarHBondContact O-N 3.37Å; I135-F138 VanDerWaalsContact O-N 3.15Å; N136-F138 VanDerWaalsContact C-N 3.31Å; N136-F138 PolarHBondContact O-N 3.45Å; F138-N141 PolarHBondContact O-N 3.08Å; F138-Q142 HydrophobicContact CD1-CG 4.3Å; F138-Q142 HydrophobicContact CD2-CG 4.3Å; F138-Q142 HydrophobicContact CE1-CG 4.02Å; F138-Q142 HydrophobicContact CE2-CG 4Å; F138-Q142 HydrophobicContact CG-CG 4.45Å; F138-Q142 HydrophobicContact CZ-CG 3.86Å; F138-Q142 WeakPolarHBondContact O-CB 3.14Å; F138-Q142 WeakPolarHBondContact O-CG 3.3Å; F138-Q142 PolarHBondContact O-N 3.38Å; F138-Y144 HydrophobicContact CD1-CD2 4.43Å; F138-Y144 HydrophobicContact CD1-CE2 4.41Å; F138-Y144 HydrophobicContact CE1-CD2 4.12Å; F138-Y144 AromaticContact CE1-CE2 3.68Å; F138-Y144 HydrophobicContact CE1-CE2 3.68Å; F138-Y144 HydrophobicContact CZ-CE2 4.36Å; F138-G172 VanDerWaalsContact CE1-C 3.47Å; F138-P173 HydrophobicContact CB-CG 4.27Å; F138-P173 HydrophobicContact CD2-CB 3.76Å; F138-P173 HydrophobicContact CD2-CG 4.15Å; F138-P173 HydrophobicContact CE2-CB 3.9Å; F138-P173 HydrophobicContact CG-CB 4.19Å; F138-P173 HydrophobicContact CG-CG 4.12Å; F138-P173 HydrophobicContact CZ-CB 4.43Å
139I83.9Confident82.3Confident16 Ų1667.6 Ų67.68%0.08234%0.336CS..Hα-helixtrans-67.9-44.6178.9-70.5171.4000111.5I135 N136 N141 Q142 G143 Y144 I146 I206I135-I139 HydrophobicContact CG2-CD1 3.57Å; I135-I139 HydrophobicContact CG2-CG1 4.18Å; I135-I139 WeakPolarHBondContact O-CB 3.32Å; I135-I139 VanDerWaalsContact O-CG1 3.32Å; I135-I139 WeakPolarHBondContact O-CG1 3.47Å; I135-I139 PolarHBondContact O-N 3.01Å; N136-I139 PolarHBondContact O-N 3.4Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.3Å; I139-Q142 PolarHBondContact O-N 3.27Å; I139-G143 WeakPolarHBondContact O-CA 3.08Å; I139-G143 PolarHBondContact O-N 3.34Å; I139-Y144 VanDerWaalsContact CG2-O 3.29Å; I139-Y144 WeakPolarHBondContact CG2-O 3.43Å; I139-I146 HydrophobicContact CD1-CD1 3.97Å; I139-I146 HydrophobicContact CD1-CG1 4.01Å; I139-I206 HydrophobicContact CD1-CD1 3.78Å
140R80.5Confident82.7Confident102 Ų10261.8 Ų61.839%0.38531%0.31SS..Hα-helixtrans-59.5-38.8173.5-76-178.384.2-174.83.3111.1N136 D210 E213 E217N136-R140 WeakPolarHBondContact O-CB 3.29Å; N136-R140 WeakPolarHBondContact O-CG 3.31Å; N136-R140 PolarHBondContact O-N 3.24Å; R140-D210 VanDerWaalsContact CD-OD1 3.27Å; R140-D210 WeakPolarHBondContact CD-OD1 3.43Å; R140-D210 IonicContact CZ-OD1 3.03Å; R140-D210 IonicContact NE-OD1 3.98Å; R140-D210 PolarHBondContact NE-OD1 3.27Å; R140-D210 IonicContact NH1-OD1 4Å; R140-E213 IonicContact NH1-OE2 2.67Å; R140-E217 IonicContact CZ-OE1 2.73Å; R140-E217 IonicContact NH1-OE1 4Å; R140-E217 PolarHBondContact NH1-OE1 2.74Å; R140-E217 VanDerWaalsContact NH1-OE1 3.09Å; R140-E217 IonicContact NH2-OE1 2.81Å; R140-E217 IonicContact NH2-OE2 2.89Å
141N80.2Confident82.7Confident131 Ų13165.5 Ų65.570%0.70132%0.315SS*.Hα-helixtrans-77-32.3-179.3-69.6-11.2000113.7Q137 F138 I139Q137-N141 VanDerWaalsContact O-CB 3.23Å; Q137-N141 WeakPolarHBondContact O-CB 3.31Å; Q137-N141 PolarHBondContact O-N 2.65Å; Q137-N141 PolarHBondContact O-ND2 3.36Å; Q137-N141 PolarHBondContact O-OD1 3.49Å; F138-N141 PolarHBondContact O-N 3.08Å; I139-N141 VanDerWaalsContact C-N 3.27Å; I139-N141 PolarHBondContact O-N 3.3Å
142Q77Confident82.8Confident114 Ų11472.8 Ų72.853%0.53335%0.349SS..Hα-helixtrans-103.1-8.9-175.9-64.7-70.3-40.700114.1F138 I139 Y144F138-Q142 HydrophobicContact CD1-CG 4.3Å; F138-Q142 HydrophobicContact CD2-CG 4.3Å; F138-Q142 HydrophobicContact CE1-CG 4.02Å; F138-Q142 HydrophobicContact CE2-CG 4Å; F138-Q142 HydrophobicContact CG-CG 4.45Å; F138-Q142 HydrophobicContact CZ-CG 3.86Å; F138-Q142 WeakPolarHBondContact O-CB 3.14Å; F138-Q142 WeakPolarHBondContact O-CG 3.3Å; F138-Q142 PolarHBondContact O-N 3.38Å; I139-Q142 PolarHBondContact O-N 3.27Å; Q142-Y144 HydrophobicContact CB-CD2 3.48Å; Q142-Y144 VanDerWaalsContact CB-CD2 3.48Å; Q142-Y144 HydrophobicContact CB-CE2 3.32Å; Q142-Y144 HydrophobicContact CG-CD2 4.43Å; Q142-Y144 HydrophobicContact CG-CE2 3.94Å; Q142-Y144 PolarHBondContact O-N 3.47Å
143G79.1Confident82.7Confident59 Ų5975.7 Ų75.761%0.60836%0.36SS*.THydrogen-bonded Turntrans71.224.7176.400000115I139I139-G143 WeakPolarHBondContact O-CA 3.08Å; I139-G143 PolarHBondContact O-N 3.34Å
144Y80.8Confident82.7Confident104 Ų10474.5 Ų74.541%0.40835%0.351SS..  trans-70.6131.9179.4-71.5-67.8000112.1F138 I139 Q142 P171F138-Y144 HydrophobicContact CD1-CD2 4.43Å; F138-Y144 HydrophobicContact CD1-CE2 4.41Å; F138-Y144 HydrophobicContact CE1-CD2 4.12Å; F138-Y144 AromaticContact CE1-CE2 3.68Å; F138-Y144 HydrophobicContact CE1-CE2 3.68Å; F138-Y144 HydrophobicContact CZ-CE2 4.36Å; I139-Y144 VanDerWaalsContact CG2-O 3.29Å; I139-Y144 WeakPolarHBondContact CG2-O 3.43Å; Q142-Y144 HydrophobicContact CB-CD2 3.48Å; Q142-Y144 VanDerWaalsContact CB-CD2 3.48Å; Q142-Y144 HydrophobicContact CB-CE2 3.32Å; Q142-Y144 HydrophobicContact CG-CD2 4.43Å; Q142-Y144 HydrophobicContact CG-CE2 3.94Å; Q142-Y144 PolarHBondContact O-N 3.47Å; Y144-P171 HydrophobicContact CD1-CB 4.34Å; Y144-P171 HydrophobicContact CD2-CB 4.35Å; Y144-P171 HydrophobicContact CG-CB 4Å
145I81.9Confident82.4Confident101 Ų10175.6 Ų75.652%0.51837%0.368SS..  trans-97.7108.9170.4-59.2173.3000108R147 Q148 C149I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 HydrophobicContact CG2-CB 4.39Å; I145-R147 PolarHBondContact O-N 3.41Å; I145-Q148 HydrophobicContact CB-CB 4.11Å; I145-Q148 HydrophobicContact CG2-CB 4.25Å; I145-Q148 WeakPolarHBondContact O-CA 3.47Å; I145-Q148 WeakPolarHBondContact O-CB 3.38Å; I145-Q148 PolarHBondContact O-N 3.21Å; I145-C149 PolarHBondContact O-N 3.45Å
146I83.4Confident81.9Confident6 Ų682.6 Ų82.63%0.03140%0.4CS..Hα-helixtrans-53.4-45.1-174.4-64.4166.8000111.4I139 Q148 C149 Y150 P171 F202 E203 I206I139-I146 HydrophobicContact CD1-CD1 3.97Å; I139-I146 HydrophobicContact CD1-CG1 4.01Å; I146-Q148 PolarHBondContact O-N 2.98Å; I146-C149 WeakPolarHBondContact O-CB 3.44Å; I146-C149 PolarHBondContact O-N 3.3Å; I146-C149 VanDerWaalsContact O-N 3.13Å; I146-Y150 HydrophobicContact CG2-CD2 3.95Å; I146-Y150 HydrophobicContact CG2-CE2 3.88Å; I146-Y150 WeakPolarHBondContact O-CD2 3.42Å; I146-Y150 PolarHBondContact O-N 2.96Å; I146-P171 HydrophobicContact CG1-CG 4.49Å; I146-F202 HydrophobicContact CD1-CD1 4.16Å; I146-F202 HydrophobicContact CD1-CE1 3.97Å; I146-F202 HydrophobicContact CG1-CE1 4.24Å; I146-F202 HydrophobicContact CG2-CD1 3.76Å; I146-F202 HydrophobicContact CG2-CE1 4.03Å; I146-E203 HydrophobicContact CB-CB 4.26Å; I146-E203 HydrophobicContact CB-CG 4.37Å; I146-E203 HydrophobicContact CD1-CB 4.21Å; I146-E203 HydrophobicContact CD1-CG 4.44Å; I146-E203 HydrophobicContact CG2-CB 4.09Å; I146-I206 HydrophobicContact CD1-CB 4.07Å; I146-I206 HydrophobicContact CD1-CD1 3.53Å; I146-I206 HydrophobicContact CD1-CG1 4.36Å; I146-I206 HydrophobicContact CD1-CG2 4.12Å
147R82.5Confident81.2Confident134 Ų13488.7 Ų88.751%0.50643%0.433SS..Hα-helixtrans-58.1-32.7177.4-166173.1-61.4-178.42.7113.4I145 K151 Y199 E203I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 HydrophobicContact CG2-CB 4.39Å; I145-R147 PolarHBondContact O-N 3.41Å; R147-K151 WeakPolarHBondContact O-CB 3.36Å; R147-K151 PolarHBondContact O-N 2.92Å; R147-K151 VanDerWaalsContact O-N 3.1Å; R147-Y199 HydrophobicContact CG-CE2 4.39Å; R147-E203 WeakPolarHBondContact CB-OE1 3.4Å; R147-E203 IonicContact CZ-OE2 3.72Å; R147-E203 IonicContact NE-OE1 3.85Å; R147-E203 IonicContact NE-OE2 3.18Å; R147-E203 PolarHBondContact NE-OE2 3.34Å; R147-E203 VanDerWaalsContact NE-OE2 3.08Å; R147-E203 IonicContact NH2-OE2 3.55Å; R147-E203 PolarHBondContact NH2-OE2 3.31Å
148Q83.3Confident80.8Confident134 Ų13488.6 Ų88.663%0.62644%0.435SS*.Hα-helixtrans-75.8-30-179.7-165.5157.4-1000112.2I145 I146I145-Q148 HydrophobicContact CB-CB 4.11Å; I145-Q148 HydrophobicContact CG2-CB 4.25Å; I145-Q148 WeakPolarHBondContact O-CA 3.47Å; I145-Q148 WeakPolarHBondContact O-CB 3.38Å; I145-Q148 PolarHBondContact O-N 3.21Å; I146-Q148 PolarHBondContact O-N 2.98Å
149C84.1Confident80.4Confident34 Ų3486 Ų8623%0.2342%0.424CS..Hα-helixtrans-66.4-37.2174.7-59.20000112.4I145 I146 G169 P171I145-C149 PolarHBondContact O-N 3.45Å; I146-C149 WeakPolarHBondContact O-CB 3.44Å; I146-C149 PolarHBondContact O-N 3.3Å; I146-C149 VanDerWaalsContact O-N 3.13Å; C149-G169 WeakPolarHBondContact CB-O 3.44Å; C149-P171 HydrophobicContact CB-CG 4.42Å
150Y86.7Confident80.4Confident0 Ų086.3 Ų86.30%043%0.425CS..Hα-helixtrans-96.5-10.1-177.4-63.4-63.2000115I146 Q152 Y153 D154 V161 F166 Y199I146-Y150 HydrophobicContact CG2-CD2 3.95Å; I146-Y150 HydrophobicContact CG2-CE2 3.88Å; I146-Y150 WeakPolarHBondContact O-CD2 3.42Å; I146-Y150 PolarHBondContact O-N 2.96Å; Y150-Q152 PolarHBondContact O-N 2.89Å; Y150-Q152 VanDerWaalsContact O-N 3.1Å; Y150-Y153 HydrophobicContact CD1-CD2 4.18Å; Y150-Y153 PolarHBondContact O-N 3.31Å; Y150-D154 PolarHBondContact O-N 3.46Å; Y150-V161 HydrophobicContact CD1-CG1 4.23Å; Y150-V161 HydrophobicContact CD1-CG2 4.05Å; Y150-V161 HydrophobicContact CE1-CG2 4.37Å; Y150-V161 HydrophobicContact CG-CG1 4.47Å; Y150-F166 AromaticContact CE1-CD2 3.96Å; Y150-F166 HydrophobicContact CE1-CD2 3.96Å; Y150-F166 HydrophobicContact CE1-CE2 4.47Å; Y150-F166 HydrophobicContact CE1-CG 4.4Å; Y150-F166 HydrophobicContact CE2-CD2 4.44Å; Y150-F166 HydrophobicContact CE2-CE2 4.21Å; Y150-F166 AromaticContact CZ-CD2 3.68Å; Y150-F166 AromaticContact CZ-CE2 3.73Å; Y150-F166 WeakPolarHBondContact OH-CD2 3.44Å; Y150-F166 WeakPolarHBondContact OH-CE2 3.25Å; Y150-F166 WeakPolarHBondContact OH-CZ 3.38Å; Y150-Y199 VanDerWaalsContact CD2-CB 3.45Å; Y150-Y199 HydrophobicContact CD2-CD1 4.45Å; Y150-Y199 AromaticContact CD2-CD2 3.61Å; Y150-Y199 HydrophobicContact CD2-CD2 3.61Å; Y150-Y199 AromaticContact CD2-CG 3.58Å; Y150-Y199 HydrophobicContact CD2-CG 3.58Å; Y150-Y199 HydrophobicContact CE2-CG 4.37Å; Y150-Y199 HydrophobicContact CG-CD1 4.21Å; Y150-Y199 HydrophobicContact CG-CD2 4.01Å; Y150-Y199 AromaticContact CG-CG 3.77Å; Y150-Y199 HydrophobicContact CG-CG 3.77Å
151K83.2Confident80.6Confident140 Ų14081.5 Ų81.561%0.60941%0.407SS*.THydrogen-bonded Turntrans-55.3-30.7-180-170.7174.9-177.8-179.80114.3R147 Y153R147-K151 WeakPolarHBondContact O-CB 3.36Å; R147-K151 PolarHBondContact O-N 2.92Å; R147-K151 VanDerWaalsContact O-N 3.1Å; K151-Y153 VanDerWaalsContact C-N 3.3Å
152Q83.8Confident80.9Confident160 Ų16077.4 Ų77.475%0.74839%0.387SS*.THydrogen-bonded Turntrans-73.6-23.7177.7-63.5-175.42.200112.9Y150Y150-Q152 PolarHBondContact O-N 2.89Å; Y150-Q152 VanDerWaalsContact O-N 3.1Å
153Y83.2Confident81.3Confident68 Ų6874.9 Ų74.927%0.26738%0.375SS..THydrogen-bonded Turntrans-95.6-31.6-178.8-56.9-60.1000112.2Y150 K151 V155 Q165 R168Y150-Y153 HydrophobicContact CD1-CD2 4.18Å; Y150-Y153 PolarHBondContact O-N 3.31Å; K151-Y153 VanDerWaalsContact C-N 3.3Å; Y153-V155 PolarHBondContact O-N 3.46Å; Y153-Q165 HydrophobicContact CD1-CB 3.95Å; Y153-Q165 HydrophobicContact CD1-CG 3.61Å; Y153-Q165 HydrophobicContact CD2-CB 4.22Å; Y153-Q165 HydrophobicContact CE1-CG 4.26Å; Y153-Q165 HydrophobicContact CG-CB 3.78Å; Y153-Q165 HydrophobicContact CG-CG 3.89Å; Y153-R168 WeakPolarHBondContact OH-CB 3.14Å
154D83.5Confident81.6Confident5 Ų575.4 Ų75.43%0.02737%0.369CS..  trans-95.566.5179.5-173.615.9000112.8Y150 H156 N157 L158 G159 V161 Y199Y150-D154 PolarHBondContact O-N 3.46Å; D154-H156 PolarHBondContact O-N 3.29Å; D154-H156 VanDerWaalsContact O-N 3.11Å; D154-N157 PolarHBondContact O-N 3.04Å; D154-N157 VanDerWaalsContact O-N 3.12Å; D154-N157 WeakPolarHBondContact OD1-CA 3.41Å; D154-N157 PolarHBondContact OD1-N 3.48Å; D154-N157 VanDerWaalsContact OD1-N 3.12Å; D154-N157 WeakPolarHBondContact OD2-CA 3.38Å; D154-L158 VanDerWaalsContact CG-N 3.33Å; D154-L158 PolarHBondContact OD1-N 2.99Å; D154-L158 PolarHBondContact OD2-N 2.92Å; D154-L158 VanDerWaalsContact OD2-N 3.14Å; D154-G159 WeakPolarHBondContact OD2-CA 3.48Å; D154-G159 PolarHBondContact OD2-N 3.47Å; D154-V161 HydrophobicContact CB-CG1 4.3Å; D154-Y199 HydrophobicContact CB-CE1 3.88Å; D154-Y199 WeakPolarHBondContact OD2-CE1 3.42Å; D154-Y199 PolarHBondContact OD2-OH 3.1Å
155V78Confident81.8Confident114 Ų11473 Ų7369%0.69136%0.362SS*.THydrogen-bonded Turntrans-58.6-25.9-177.9-179.70000112.9Y153Y153-V155 PolarHBondContact O-N 3.46Å
156H73.5Confident82.1Confident148 Ų14868.2 Ų68.269%0.68534%0.337SS*.THydrogen-bonded Turntrans-98.94.1-176.8-63.7-55000113.6D154 L158D154-H156 PolarHBondContact O-N 3.29Å; D154-H156 VanDerWaalsContact O-N 3.11Å; H156-L158 HydrophobicContact CB-CD1 3.85Å; H156-L158 HydrophobicContact CB-CD2 4.44Å; H156-L158 HydrophobicContact CB-CG 3.7Å; H156-L158 PolarHBondContact O-N 3.48Å
157N70.6Confident82.2Confident130 Ų13072.1 Ų72.170%0.69535%0.354SS*.  trans4842.6-173.8-63.2-34.2000112.1D154 G159D154-N157 PolarHBondContact O-N 3.04Å; D154-N157 VanDerWaalsContact O-N 3.12Å; D154-N157 WeakPolarHBondContact OD1-CA 3.41Å; D154-N157 PolarHBondContact OD1-N 3.48Å; D154-N157 VanDerWaalsContact OD1-N 3.12Å; D154-N157 WeakPolarHBondContact OD2-CA 3.38Å; N157-G159 VanDerWaalsContact C-N 3.32Å
158L73.1Confident82.3Confident106 Ų10675.1 Ų75.156%0.55537%0.366SS*.  trans-76.7-21.8178.5-68.4169.5000112.1D154 H156D154-L158 VanDerWaalsContact CG-N 3.33Å; D154-L158 PolarHBondContact OD1-N 2.99Å; D154-L158 PolarHBondContact OD2-N 2.92Å; D154-L158 VanDerWaalsContact OD2-N 3.14Å; H156-L158 HydrophobicContact CB-CD1 3.85Å; H156-L158 HydrophobicContact CB-CD2 4.44Å; H156-L158 HydrophobicContact CB-CG 3.7Å; H156-L158 PolarHBondContact O-N 3.48Å
159G75.8Confident82.2Confident1 Ų169.3 Ų69.31%0.0134%0.341CS..SBendtrans85.75-174.600000114.3D154 N157 D198 Y199 L200D154-G159 WeakPolarHBondContact OD2-CA 3.48Å; D154-G159 PolarHBondContact OD2-N 3.47Å; N157-G159 VanDerWaalsContact C-N 3.32Å; G159-D198 WeakPolarHBondContact O-CA 3.44Å; G159-Y199 VanDerWaalsContact O-CD1 3.27Å; G159-Y199 WeakPolarHBondContact O-CD1 3.27Å; G159-Y199 WeakPolarHBondContact O-CE1 3.07Å; G159-Y199 PolarHBondContact O-N 2.93Å; G159-L200 VanDerWaalsContact CA-CD1 3.46Å
160E83.4Confident82.2Confident22 Ų2269 Ų6910%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-128.6138.2-173-62.2-174.9156.700110.8S115 S190 T192 N193 L196 V197 D198S115-E160 PolarHBondContact OG-OE1 3.08Å; E160-S190 WeakPolarHBondContact OE1-CB 3.35Å; E160-S190 PolarHBondContact OE1-OG 3.05Å; E160-T192 PolarHBondContact OE1-OG1 3.17Å; E160-N193 PolarHBondContact OE2-ND2 3.16Å; E160-L196 HydrophobicContact CB-CB 4.15Å; E160-L196 HydrophobicContact CB-CD1 4.13Å; E160-L196 WeakPolarHBondContact OE2-CD1 3.42Å; E160-V197 WeakPolarHBondContact CA-O 3.35Å; E160-D198 HydrophobicContact CG-CB 4.42Å
161V85.2Confident81.7Confident1 Ų169.4 Ų69.41%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-129.4153.9179.1-68.70000111.2Y150 D154 Q165 F166 L196 V197 Y199Y150-V161 HydrophobicContact CD1-CG1 4.23Å; Y150-V161 HydrophobicContact CD1-CG2 4.05Å; Y150-V161 HydrophobicContact CE1-CG2 4.37Å; Y150-V161 HydrophobicContact CG-CG1 4.47Å; D154-V161 HydrophobicContact CB-CG1 4.3Å; V161-Q165 HydrophobicContact CB-CB 4.09Å; V161-F166 HydrophobicContact CG2-CB 4.13Å; V161-F166 HydrophobicContact CG2-CD2 4.06Å; V161-L196 CarbonylContact O-C 3.54Å; V161-L196 WeakPolarHBondContact O-CA 3.35Å; V161-V197 HydrophobicContact CG2-CB 4.45Å; V161-V197 PolarHBondContact N-O 3.45Å; V161-V197 PolarHBondContact O-N 2.88Å; V161-Y199 HydrophobicContact CG1-CD1 3.77Å; V161-Y199 HydrophobicContact CG1-CE1 4.01Å; V161-Y199 HydrophobicContact CG2-CD1 4.16Å
162T86.4Confident81.2Confident45 Ų4563.6 Ų63.628%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-66.4154.8176.768.10000111.3S164 Q165 F166 L196T162-S164 PolarHBondContact O-N 3.01Å; T162-S164 PolarHBondContact OG1-OG 3.06Å; T162-Q165 CarbonylContact O-C 3.57Å; T162-Q165 WeakPolarHBondContact O-CA 3.22Å; T162-Q165 WeakPolarHBondContact O-CB 3.47Å; T162-Q165 PolarHBondContact O-N 3.32Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.47Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.26Å; T162-Q165 PolarHBondContact OG1-N 3.31Å; T162-Q165 VanDerWaalsContact OG1-N 3.17Å; T162-Q165 PolarHBondContact OG1-OE1 2.85Å; T162-F166 PolarHBondContact O-N 3.16Å; T162-L196 HydrophobicContact CG2-CD2 3.94Å
163E85.8Confident80.8Confident61 Ų6156.8 Ų56.829%0.28529%0.288SS..Hα-helixtrans-50.9-45.5175.9-64-179.5-177.500111.3Q165 F166 F167 V185 K189 G195 V197E163-Q165 VanDerWaalsContact C-N 3.35Å; E163-Q165 PolarHBondContact O-N 3.44Å; E163-F166 WeakPolarHBondContact O-CB 3.28Å; E163-F166 PolarHBondContact O-N 3.05Å; E163-F166 VanDerWaalsContact O-N 3.15Å; E163-F167 HydrophobicContact CB-CE2 4.35Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 PolarHBondContact O-N 2.54Å; E163-V185 HydrophobicContact CB-CG1 4.07Å; E163-V185 HydrophobicContact CG-CG1 3.65Å; E163-K189 WeakPolarHBondContact OE1-CE 3.28Å; E163-K189 IonicContact OE1-NZ 3.89Å; E163-K189 PolarHBondContact OE1-NZ 2.78Å; E163-G195 PolarHBondContact N-O 2.76Å; E163-V197 HydrophobicContact CB-CG2 4.45Å; E163-V197 HydrophobicContact CG-CG2 3.86Å
164S85.3Confident80.2Confident69 Ų6963.6 Ų63.648%0.48332%0.319SS..Hα-helixtrans-63-32.8176.356.30000114.7T162 R168T162-S164 PolarHBondContact O-N 3.01Å; T162-S164 PolarHBondContact OG1-OG 3.06Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.48Å; S164-R168 PolarHBondContact O-N 3.35Å
165Q86.2Confident79.9Confident54 Ų5470 Ų7025%0.25235%0.353SS..Hα-helixtrans-74.8-37173.7-72.6166.5-8.500110.9Y153 V161 T162 E163 R168 G169Y153-Q165 HydrophobicContact CD1-CB 3.95Å; Y153-Q165 HydrophobicContact CD1-CG 3.61Å; Y153-Q165 HydrophobicContact CD2-CB 4.22Å; Y153-Q165 HydrophobicContact CE1-CG 4.26Å; Y153-Q165 HydrophobicContact CG-CB 3.78Å; Y153-Q165 HydrophobicContact CG-CG 3.89Å; V161-Q165 HydrophobicContact CB-CB 4.09Å; T162-Q165 CarbonylContact O-C 3.57Å; T162-Q165 WeakPolarHBondContact O-CA 3.22Å; T162-Q165 WeakPolarHBondContact O-CB 3.47Å; T162-Q165 PolarHBondContact O-N 3.32Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.47Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.26Å; T162-Q165 PolarHBondContact OG1-N 3.31Å; T162-Q165 VanDerWaalsContact OG1-N 3.17Å; T162-Q165 PolarHBondContact OG1-OE1 2.85Å; E163-Q165 VanDerWaalsContact C-N 3.35Å; E163-Q165 PolarHBondContact O-N 3.44Å; Q165-R168 PolarHBondContact O-N 3.07Å; Q165-G169 PolarHBondContact O-N 3.06Å
166F87.7Confident79.8Confident0 Ų065.3 Ų65.30%032%0.324CS..Hα-helixtrans-58-48.8172.8-166.3-89000110.7Y150 V161 T162 E163 R168 G169 F170 L184 V185 V197 F202Y150-F166 AromaticContact CE1-CD2 3.96Å; Y150-F166 HydrophobicContact CE1-CD2 3.96Å; Y150-F166 HydrophobicContact CE1-CE2 4.47Å; Y150-F166 HydrophobicContact CE1-CG 4.4Å; Y150-F166 HydrophobicContact CE2-CD2 4.44Å; Y150-F166 HydrophobicContact CE2-CE2 4.21Å; Y150-F166 AromaticContact CZ-CD2 3.68Å; Y150-F166 AromaticContact CZ-CE2 3.73Å; Y150-F166 WeakPolarHBondContact OH-CD2 3.44Å; Y150-F166 WeakPolarHBondContact OH-CE2 3.25Å; Y150-F166 WeakPolarHBondContact OH-CZ 3.38Å; V161-F166 HydrophobicContact CG2-CB 4.13Å; V161-F166 HydrophobicContact CG2-CD2 4.06Å; T162-F166 PolarHBondContact O-N 3.16Å; E163-F166 WeakPolarHBondContact O-CB 3.28Å; E163-F166 PolarHBondContact O-N 3.05Å; E163-F166 VanDerWaalsContact O-N 3.15Å; F166-R168 VanDerWaalsContact C-N 3.34Å; F166-R168 PolarHBondContact O-N 2.91Å; F166-G169 PolarHBondContact O-N 3.41Å; F166-F170 HydrophobicContact CD1-CD2 4.46Å; F166-F170 AromaticContact CE1-CD2 3.66Å; F166-F170 HydrophobicContact CE1-CD2 3.66Å; F166-F170 HydrophobicContact CE1-CE2 4.18Å; F166-F170 AromaticContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CE2 4.35Å; F166-F170 WeakPolarHBondContact O-CB 3.28Å; F166-F170 PolarHBondContact O-N 2.69Å; F166-F170 VanDerWaalsContact O-N 3.1Å; F166-L184 HydrophobicContact CE1-CD2 3.43Å; F166-L184 VanDerWaalsContact CE1-CD2 3.43Å; F166-L184 HydrophobicContact CZ-CD2 3.29Å; F166-V185 HydrophobicContact CD1-CG2 3.48Å; F166-V185 VanDerWaalsContact CD1-CG2 3.48Å; F166-V185 HydrophobicContact CE1-CG2 3.98Å; F166-V185 HydrophobicContact CG-CG2 4.27Å; F166-V197 HydrophobicContact CB-CB 4.34Å; F166-V197 HydrophobicContact CB-CG2 4.3Å; F166-V197 HydrophobicContact CD2-CB 4.06Å; F166-V197 HydrophobicContact CD2-CG1 3.53Å; F166-V197 HydrophobicContact CE2-CG1 3.82Å; F166-V197 HydrophobicContact CG-CB 4.33Å; F166-V197 HydrophobicContact CG-CG1 3.98Å; F166-F202 HydrophobicContact CE2-CD1 4.46Å; F166-F202 HydrophobicContact CZ-CD1 4.47Å
167F85.7Confident80.2Confident89 Ų8960.6 Ų60.639%0.3931%0.308SS..Hα-helixtrans-58.9-39.3175.3-73.3-73.1000113.6E163 M181 M182 V185E163-F167 HydrophobicContact CB-CE2 4.35Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 PolarHBondContact O-N 2.54Å; F167-M181 HydrophobicContact CD1-CB 4.38Å; F167-M181 HydrophobicContact CD1-CG 3.42Å; F167-M181 VanDerWaalsContact CD1-CG 3.42Å; F167-M181 HydrophobicContact CE1-CB 3.86Å; F167-M181 HydrophobicContact CE1-CG 3.25Å; F167-M181 HydrophobicContact CZ-CG 4.36Å; F167-M182 HydrophobicContact CZ-CG 4.2Å; F167-V185 HydrophobicContact CE1-CG2 4.32Å; F167-V185 HydrophobicContact CE2-CG2 4.11Å; F167-V185 HydrophobicContact CZ-CG2 3.88Å
168R83.1Confident80.7Confident197 Ų19760.9 Ų60.974%0.74331%0.309SS*.Hα-helixtrans-76.6-30.7-178.2-71.9174.7-178.1-173.51.4113.3Y153 S164 Q165 F166Y153-R168 WeakPolarHBondContact OH-CB 3.14Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.48Å; S164-R168 PolarHBondContact O-N 3.35Å; Q165-R168 PolarHBondContact O-N 3.07Å; F166-R168 VanDerWaalsContact C-N 3.34Å; F166-R168 PolarHBondContact O-N 2.91Å
169G82Confident81.1Confident11 Ų1162.7 Ų62.711%0.11332%0.315CS..Hα-helixtrans-97.11.2-177.300000115C149 Q165 F166 P171C149-G169 WeakPolarHBondContact CB-O 3.44Å; Q165-G169 PolarHBondContact O-N 3.06Å; F166-G169 PolarHBondContact O-N 3.41Å; G169-P171 VanDerWaalsContact O-CD 3.31Å; G169-P171 WeakPolarHBondContact O-CD 3.35Å
170F83.8Confident81.5Confident29 Ų2964 Ų6413%0.12732%0.321CS..  trans-68.3119.2-168.7-178.2-101000113.5I135 F166 G172 I176 M181 L184 F202I135-F170 HydrophobicContact CD1-CE2 4.32Å; I135-F170 HydrophobicContact CD1-CZ 3.78Å; I135-F170 HydrophobicContact CG1-CZ 4.18Å; F166-F170 HydrophobicContact CD1-CD2 4.46Å; F166-F170 AromaticContact CE1-CD2 3.66Å; F166-F170 HydrophobicContact CE1-CD2 3.66Å; F166-F170 HydrophobicContact CE1-CE2 4.18Å; F166-F170 AromaticContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CE2 4.35Å; F166-F170 WeakPolarHBondContact O-CB 3.28Å; F166-F170 PolarHBondContact O-N 2.69Å; F166-F170 VanDerWaalsContact O-N 3.1Å; F170-G172 VanDerWaalsContact CE1-CA 3.41Å; F170-G172 PolarHBondContact O-N 2.95Å; F170-I176 HydrophobicContact CE1-CD1 3.44Å; F170-I176 VanDerWaalsContact CE1-CD1 3.44Å; F170-I176 HydrophobicContact CZ-CD1 3.73Å; F170-M181 HydrophobicContact CB-CE 4.24Å; F170-M181 HydrophobicContact CB-SD 4.27Å; F170-M181 HydrophobicContact CD1-CE 3.1Å; F170-M181 HydrophobicContact CD1-SD 3.68Å; F170-M181 HydrophobicContact CD2-CE 4.29Å; F170-M181 HydrophobicContact CD2-SD 3.71Å; F170-M181 HydrophobicContact CE1-CE 3.29Å; F170-M181 HydrophobicContact CE1-SD 3.79Å; F170-M181 HydrophobicContact CE2-CE 4.46Å; F170-M181 HydrophobicContact CE2-SD 3.87Å; F170-M181 HydrophobicContact CG-CE 3.63Å; F170-M181 HydrophobicContact CG-SD 3.61Å; F170-M181 HydrophobicContact CZ-CE 4Å; F170-M181 HydrophobicContact CZ-SD 3.89Å; F170-L184 HydrophobicContact CE2-CD1 4.31Å; F170-L184 HydrophobicContact CE2-CD2 4.23Å; F170-F202 HydrophobicContact CE2-CZ 4.05Å
171P77.2Confident81.5Confident8 Ų864 Ų645%0.05232%0.321CS..  trans-91.668.1-179.136.2-33.1000111.8Y144 I146 C149 G169Y144-P171 HydrophobicContact CD1-CB 4.34Å; Y144-P171 HydrophobicContact CD2-CB 4.35Å; Y144-P171 HydrophobicContact CG-CB 4Å; I146-P171 HydrophobicContact CG1-CG 4.49Å; C149-P171 HydrophobicContact CB-CG 4.42Å; G169-P171 VanDerWaalsContact O-CD 3.31Å; G169-P171 WeakPolarHBondContact O-CD 3.35Å
172G73Confident81.4Confident17 Ų1769.2 Ų69.218%0.17535%0.347CS..SBendtrans-132.5171.317900000114.9F138 F170F138-G172 VanDerWaalsContact CE1-C 3.47Å; F170-G172 VanDerWaalsContact CE1-CA 3.41Å; F170-G172 PolarHBondContact O-N 2.95Å
173P74.9Confident81.2Confident17 Ų1769.2 Ų69.211%0.1135%0.348CS..  trans-59.6143.7179.518.2-26.6000111.2F138 D175 I176F138-P173 HydrophobicContact CB-CG 4.27Å; F138-P173 HydrophobicContact CD2-CB 3.76Å; F138-P173 HydrophobicContact CD2-CG 4.15Å; F138-P173 HydrophobicContact CE2-CB 3.9Å; F138-P173 HydrophobicContact CG-CB 4.19Å; F138-P173 HydrophobicContact CG-CG 4.12Å; F138-P173 HydrophobicContact CZ-CB 4.43Å; P173-D175 PolarHBondContact O-N 2.9Å; P173-I176 VanDerWaalsContact CD-CD1 3.49Å; P173-I176 HydrophobicContact CG-CD1 3.72Å; P173-I176 HydrophobicContact CG-CG1 4.02Å; P173-I176 PolarHBondContact O-N 3.45Å
174K70.3Confident81.1Confident211 Ų21166.3 Ų66.392%0.91734%0.335SS*.THydrogen-bonded Turntrans-60.7-13.4177.1-67.7-176.5178.5178.10113.3I176K174-I176 VanDerWaalsContact C-N 3.3Å
175D76.3Confident81Confident139 Ų13963.3 Ų63.374%0.74331%0.314SS*.THydrogen-bonded Turntrans-87.54.3-177.6-51-26.7000113.1P173 S177P173-D175 PolarHBondContact O-N 2.9Å; D175-S177 PolarHBondContact O-N 3.13Å
176I77.6Confident80.8Confident17 Ų1765.8 Ų65.89%0.08733%0.325CS..  trans-76.3119.9174.3-73164.7000109.2I135 F170 P173 K174 E180 M181I135-I176 HydrophobicContact CD1-CD1 4.37Å; I135-I176 HydrophobicContact CG1-CD1 3.99Å; F170-I176 HydrophobicContact CE1-CD1 3.44Å; F170-I176 VanDerWaalsContact CE1-CD1 3.44Å; F170-I176 HydrophobicContact CZ-CD1 3.73Å; P173-I176 VanDerWaalsContact CD-CD1 3.49Å; P173-I176 HydrophobicContact CG-CD1 3.72Å; P173-I176 HydrophobicContact CG-CG1 4.02Å; P173-I176 PolarHBondContact O-N 3.45Å; K174-I176 VanDerWaalsContact C-N 3.3Å; I176-E180 WeakPolarHBondContact CA-OE2 3.48Å; I176-E180 HydrophobicContact CG2-CB 3.78Å; I176-M181 HydrophobicContact CB-CE 4.35Å; I176-M181 HydrophobicContact CG2-CB 4.22Å; I176-M181 HydrophobicContact CG2-CE 3.69Å; I176-M181 HydrophobicContact CG2-SD 4.47Å
177S80.9Confident80.3Confident49 Ų4967 Ų6734%0.34333%0.334SS..  trans-68.4153.9177.972.10000111.3D175 E179 E180 M181D175-S177 PolarHBondContact O-N 3.13Å; S177-E179 PolarHBondContact O-N 2.82Å; S177-E179 VanDerWaalsContact O-N 3.13Å; S177-E180 PolarHBondContact N-OE2 3.11Å; S177-E180 WeakPolarHBondContact O-CB 3.28Å; S177-E180 PolarHBondContact O-N 3.25Å; S177-E180 WeakPolarHBondContact OG-CG 3.41Å; S177-E180 PolarHBondContact OG-N 3.02Å; S177-E180 VanDerWaalsContact OG-N 3.14Å; S177-M181 PolarHBondContact O-N 3.49Å
178D80.6Confident80.1Confident135 Ų13563 Ų6372%0.72232%0.316SS*.Hα-helixtrans-57-29.5174.9-69.4-19.9000111.7M182D178-M182 WeakPolarHBondContact O-CB 3.34Å; D178-M182 WeakPolarHBondContact O-CG 3.43Å; D178-M182 PolarHBondContact O-N 3.23Å
179E82.3Confident79.9Confident145 Ų14556.9 Ų56.968%0.67830%0.295SS*.Hα-helixtrans-69.7-40.9175-64.8-177.2176.200113.2S177 S183S177-E179 PolarHBondContact O-N 2.82Å; S177-E179 VanDerWaalsContact O-N 3.13Å; E179-S183 WeakPolarHBondContact O-CB 3.06Å; E179-S183 PolarHBondContact O-N 3.41Å; E179-S183 PolarHBondContact O-OG 3.28Å
180E84.6Confident79.3Confident27 Ų2756.6 Ų56.613%0.12629%0.291CS..Hα-helixtrans-65.2-41.8174.9-79.4171.5155.500110.9Y127 L131 R134 I176 S177 S183 L184Y127-E180 HydrophobicContact CE1-CG 4.49Å; Y127-E180 WeakPolarHBondContact OH-CG 3.47Å; L131-E180 HydrophobicContact CD1-CB 4.19Å; L131-E180 HydrophobicContact CD1-CG 4.28Å; L131-E180 HydrophobicContact CD2-CB 4.3Å; R134-E180 IonicContact CZ-OE1 2.81Å; R134-E180 IonicContact CZ-OE2 2.69Å; R134-E180 IonicContact NH1-OE1 3.64Å; R134-E180 PolarHBondContact NH1-OE1 3.36Å; R134-E180 IonicContact NH1-OE2 3.97Å; R134-E180 IonicContact NH2-OE1 3.73Å; R134-E180 PolarHBondContact NH2-OE1 3.11Å; R134-E180 VanDerWaalsContact NH2-OE1 3.14Å; R134-E180 IonicContact NH2-OE2 3.09Å; R134-E180 PolarHBondContact NH2-OE2 3.01Å; I176-E180 WeakPolarHBondContact CA-OE2 3.48Å; I176-E180 HydrophobicContact CG2-CB 3.78Å; S177-E180 PolarHBondContact N-OE2 3.11Å; S177-E180 WeakPolarHBondContact O-CB 3.28Å; S177-E180 PolarHBondContact O-N 3.25Å; S177-E180 WeakPolarHBondContact OG-CG 3.41Å; S177-E180 PolarHBondContact OG-N 3.02Å; S177-E180 VanDerWaalsContact OG-N 3.14Å; E180-S183 WeakPolarHBondContact O-CB 3.42Å; E180-S183 PolarHBondContact O-N 3.07Å; E180-L184 PolarHBondContact O-N 3.4Å
181M83.3Confident78.6Confident22 Ų2259.8 Ų59.811%0.10831%0.309CS..Hα-helixtrans-65.4-45.1177.7-163.468.473.400111.9F167 F170 I176 S177 S183 L184 V185F167-M181 HydrophobicContact CD1-CB 4.38Å; F167-M181 HydrophobicContact CD1-CG 3.42Å; F167-M181 VanDerWaalsContact CD1-CG 3.42Å; F167-M181 HydrophobicContact CE1-CB 3.86Å; F167-M181 HydrophobicContact CE1-CG 3.25Å; F167-M181 HydrophobicContact CZ-CG 4.36Å; F170-M181 HydrophobicContact CB-CE 4.24Å; F170-M181 HydrophobicContact CB-SD 4.27Å; F170-M181 HydrophobicContact CD1-CE 3.1Å; F170-M181 HydrophobicContact CD1-SD 3.68Å; F170-M181 HydrophobicContact CD2-CE 4.29Å; F170-M181 HydrophobicContact CD2-SD 3.71Å; F170-M181 HydrophobicContact CE1-CE 3.29Å; F170-M181 HydrophobicContact CE1-SD 3.79Å; F170-M181 HydrophobicContact CE2-CE 4.46Å; F170-M181 HydrophobicContact CE2-SD 3.87Å; F170-M181 HydrophobicContact CG-CE 3.63Å; F170-M181 HydrophobicContact CG-SD 3.61Å; F170-M181 HydrophobicContact CZ-CE 4Å; F170-M181 HydrophobicContact CZ-SD 3.89Å; I176-M181 HydrophobicContact CB-CE 4.35Å; I176-M181 HydrophobicContact CG2-CB 4.22Å; I176-M181 HydrophobicContact CG2-CE 3.69Å; I176-M181 HydrophobicContact CG2-SD 4.47Å; S177-M181 PolarHBondContact O-N 3.49Å; M181-S183 VanDerWaalsContact C-N 3.25Å; M181-S183 PolarHBondContact O-N 2.86Å; M181-L184 PolarHBondContact O-N 3.05Å; M181-V185 WeakPolarHBondContact O-CG2 3.32Å; M181-V185 PolarHBondContact O-N 3.49Å
182M82.7Confident78Confident111 Ų11163.1 Ų63.155%0.54733%0.329SS..Hα-helixtrans-60.2-37.8173.3-79.6-167.3-75.600111.8F167 D178 Q186F167-M182 HydrophobicContact CZ-CG 4.2Å; D178-M182 WeakPolarHBondContact O-CB 3.34Å; D178-M182 WeakPolarHBondContact O-CG 3.43Å; D178-M182 PolarHBondContact O-N 3.23Å; M182-Q186 VanDerWaalsContact O-CB 3.29Å; M182-Q186 WeakPolarHBondContact O-CB 3.48Å; M182-Q186 PolarHBondContact O-N 3.32Å
183S82Confident77.8Confident45 Ų4565.9 Ų65.932%0.31534%0.34SS..Hα-helixtrans-63.9-40.8175.7-62.20000111.9E179 E180 M181 Q186 C187E179-S183 WeakPolarHBondContact O-CB 3.06Å; E179-S183 PolarHBondContact O-N 3.41Å; E179-S183 PolarHBondContact O-OG 3.28Å; E180-S183 WeakPolarHBondContact O-CB 3.42Å; E180-S183 PolarHBondContact O-N 3.07Å; M181-S183 VanDerWaalsContact C-N 3.25Å; M181-S183 PolarHBondContact O-N 2.86Å; S183-Q186 PolarHBondContact O-N 2.92Å; S183-C187 PolarHBondContact O-N 3.32Å; S183-C187 PolarHBondContact O-SG 3.16Å
184L83.8Confident77.8Confident1 Ų170.8 Ų70.81%0.00537%0.372CS..Hα-helixtrans-69.2-44.6178.3-162.9144.4000112L131 L132 I135 F166 F170 E180 M181 Q186 C187 Y188 F202L131-L184 HydrophobicContact CD2-CB 4.22Å; L131-L184 HydrophobicContact CD2-CD1 3.93Å; L131-L184 HydrophobicContact CG-CD1 4.31Å; L132-L184 HydrophobicContact CD2-CD1 4.33Å; I135-L184 HydrophobicContact CD1-CD1 3.32Å; F166-L184 HydrophobicContact CE1-CD2 3.43Å; F166-L184 VanDerWaalsContact CE1-CD2 3.43Å; F166-L184 HydrophobicContact CZ-CD2 3.29Å; F170-L184 HydrophobicContact CE2-CD1 4.31Å; F170-L184 HydrophobicContact CE2-CD2 4.23Å; E180-L184 PolarHBondContact O-N 3.4Å; M181-L184 PolarHBondContact O-N 3.05Å; L184-Q186 VanDerWaalsContact C-N 3.25Å; L184-Q186 PolarHBondContact O-N 3.14Å; L184-C187 WeakPolarHBondContact O-CB 3.41Å; L184-C187 PolarHBondContact O-N 3.11Å; L184-Y188 HydrophobicContact CD2-CD2 3.65Å; L184-Y188 HydrophobicContact CD2-CE2 3.94Å; L184-Y188 HydrophobicContact CG-CD2 4.03Å; L184-Y188 HydrophobicContact CG-CE2 3.98Å; L184-Y188 WeakPolarHBondContact O-CD2 3.23Å; L184-Y188 PolarHBondContact O-N 3.07Å; L184-F202 HydrophobicContact CD1-CE2 4.07Å; L184-F202 HydrophobicContact CD2-CD2 4.18Å; L184-F202 HydrophobicContact CD2-CE2 4.04Å
185V83.3Confident78.1Confident5 Ų562.1 Ų62.13%0.0334%0.342CS..Hα-helixtrans-57.7-40.4173.6168.50000111.2E163 F166 F167 M181 C187 Y188 K189 V197E163-V185 HydrophobicContact CB-CG1 4.07Å; E163-V185 HydrophobicContact CG-CG1 3.65Å; F166-V185 HydrophobicContact CD1-CG2 3.48Å; F166-V185 VanDerWaalsContact CD1-CG2 3.48Å; F166-V185 HydrophobicContact CE1-CG2 3.98Å; F166-V185 HydrophobicContact CG-CG2 4.27Å; F167-V185 HydrophobicContact CE1-CG2 4.32Å; F167-V185 HydrophobicContact CE2-CG2 4.11Å; F167-V185 HydrophobicContact CZ-CG2 3.88Å; M181-V185 WeakPolarHBondContact O-CG2 3.32Å; M181-V185 PolarHBondContact O-N 3.49Å; V185-C187 PolarHBondContact O-N 2.74Å; V185-Y188 PolarHBondContact O-N 2.81Å; V185-K189 PolarHBondContact O-N 3.11Å; V185-V197 HydrophobicContact CG1-CG2 3.91Å
186Q81.1Confident78.4Confident106 Ų10657.7 Ų57.750%0.49532%0.318SS..Hα-helixtrans-65.7-23.2177.1-172.558.846.100113.2M182 S183 L184M182-Q186 VanDerWaalsContact O-CB 3.29Å; M182-Q186 WeakPolarHBondContact O-CB 3.48Å; M182-Q186 PolarHBondContact O-N 3.32Å; S183-Q186 PolarHBondContact O-N 2.92Å; L184-Q186 VanDerWaalsContact C-N 3.25Å; L184-Q186 PolarHBondContact O-N 3.14Å
187C78.4Confident78.6Confident26 Ų2656.9 Ų56.918%0.17631%0.314CS..Hα-helixtrans-82.6-40.2178.6-63.60000113I128 S183 L184 V185 K189I128-C187 WeakPolarHBondContact CD1-SG 3.45Å; S183-C187 PolarHBondContact O-N 3.32Å; S183-C187 PolarHBondContact O-SG 3.16Å; L184-C187 WeakPolarHBondContact O-CB 3.41Å; L184-C187 PolarHBondContact O-N 3.11Å; V185-C187 PolarHBondContact O-N 2.74Å; C187-K189 VanDerWaalsContact C-N 3.33Å
188Y80.2Confident78.7Confident6 Ų654.8 Ų54.82%0.02430%0.299CS..SBendtrans-93.910.5-176.6-67.4-70.2000113.6L132 L184 V185 S190 V197 D198 A201 F202 D205L132-Y188 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y188 HydrophobicContact CD2-CE2 4.24Å; L132-Y188 WeakPolarHBondContact CD2-OH 3.44Å; L184-Y188 HydrophobicContact CD2-CD2 3.65Å; L184-Y188 HydrophobicContact CD2-CE2 3.94Å; L184-Y188 HydrophobicContact CG-CD2 4.03Å; L184-Y188 HydrophobicContact CG-CE2 3.98Å; L184-Y188 WeakPolarHBondContact O-CD2 3.23Å; L184-Y188 PolarHBondContact O-N 3.07Å; V185-Y188 PolarHBondContact O-N 2.81Å; Y188-S190 PolarHBondContact O-N 2.71Å; Y188-V197 CarbonylContact O-C 3.57Å; Y188-V197 VanDerWaalsContact O-CA 3.3Å; Y188-V197 WeakPolarHBondContact O-CA 3.4Å; Y188-D198 PolarHBondContact O-N 3.06Å; Y188-A201 HydrophobicContact CD1-CB 4.08Å; Y188-A201 HydrophobicContact CE1-CB 4.41Å; Y188-F202 HydrophobicContact CD1-CB 3.84Å; Y188-F202 HydrophobicContact CD2-CB 4.13Å; Y188-F202 HydrophobicContact CD2-CD2 4.05Å; Y188-F202 HydrophobicContact CD2-CG 4.46Å; Y188-F202 VanDerWaalsContact CE1-CA 3.4Å; Y188-F202 HydrophobicContact CE1-CB 3.83Å; Y188-F202 HydrophobicContact CE1-CD2 4.49Å; Y188-F202 HydrophobicContact CE2-CB 4.12Å; Y188-F202 AromaticContact CE2-CD2 3.51Å; Y188-F202 HydrophobicContact CE2-CD2 3.51Å; Y188-F202 HydrophobicContact CE2-CE2 4.38Å; Y188-F202 HydrophobicContact CE2-CG 4.25Å; Y188-F202 HydrophobicContact CG-CB 4Å; Y188-F202 AromaticContact CZ-CD2 3.77Å; Y188-D205 HydrophobicContact CE1-CB 4.49Å; Y188-D205 VanDerWaalsContact CE1-OD2 3.25Å; Y188-D205 WeakPolarHBondContact CE1-OD2 3.42Å; Y188-D205 WeakPolarHBondContact OH-CB 3.27Å; Y188-D205 PolarHBondContact OH-OD2 3.45Å
189K78.8Confident79Confident68 Ų6848.7 Ų48.730%0.29627%0.266SS..BIsolated β-bridgetrans-63123.5177.2-165163.3-176.4149.50110.3E163 V185 C187 L191 L196E163-K189 WeakPolarHBondContact OE1-CE 3.28Å; E163-K189 IonicContact OE1-NZ 3.89Å; E163-K189 PolarHBondContact OE1-NZ 2.78Å; V185-K189 PolarHBondContact O-N 3.11Å; C187-K189 VanDerWaalsContact C-N 3.33Å; K189-L191 PolarHBondContact O-N 2.86Å; K189-L196 WeakPolarHBondContact CA-O 3.3Å
190S71.3Confident78.9Confident5 Ų543.2 Ų43.24%0.03524%0.241CC..  trans-61.5129.4-179.5-177.50000111E160 Y188 T192 N193 L196E160-S190 WeakPolarHBondContact OE1-CB 3.35Å; E160-S190 PolarHBondContact OE1-OG 3.05Å; Y188-S190 PolarHBondContact O-N 2.71Å; S190-T192 VanDerWaalsContact C-N 3.29Å; S190-T192 PolarHBondContact OG-N 3.38Å; S190-T192 PolarHBondContact OG-OG1 3.18Å; S190-N193 PolarHBondContact OG-N 3.18Å; S190-L196 PolarHBondContact N-O 3.27Å
191L67.6Low78.6Confident96 Ų9642.3 Ų42.350%0.50324%0.238SC..SBendtrans-75.8-21.5174.6-83.4145.9000112.3Q116 K118 K189Q116-L191 WeakPolarHBondContact O-CD1 3.4Å; K118-L191 HydrophobicContact CB-CD1 4.23Å; K118-L191 HydrophobicContact CD-CD1 4.41Å; K118-L191 HydrophobicContact CD-CD2 4.2Å; K118-L191 HydrophobicContact CG-CD1 3.97Å; K189-L191 PolarHBondContact O-N 2.86Å
192T66Low78.6Confident77 Ų7741.2 Ų41.247%0.47223%0.233SC..SBendtrans-86-36.5178.956.50000111.1S115 E160 S190S115-T192 WeakPolarHBondContact OG-CG2 3.31Å; S115-T192 PolarHBondContact OG-OG1 2.99Å; E160-T192 PolarHBondContact OE1-OG1 3.17Å; S190-T192 VanDerWaalsContact C-N 3.29Å; S190-T192 PolarHBondContact OG-N 3.38Å; S190-T192 PolarHBondContact OG-OG1 3.18Å
193N68.6Low78.7Confident75 Ų7536.9 Ų36.940%0.40121%0.211SC..SBendtrans-128.6102.3-177-65-37.5000111.9E160 S190 G195 L196E160-N193 PolarHBondContact OE2-ND2 3.16Å; S190-N193 PolarHBondContact OG-N 3.18Å; N193-G195 PolarHBondContact O-N 3.1Å; N193-L196 HydrophobicContact CB-CB 4.2Å; N193-L196 HydrophobicContact CB-CD1 3.61Å; N193-L196 HydrophobicContact CB-CG 4.13Å; N193-L196 PolarHBondContact O-N 3.35Å
194P75.1Confident78.6Confident121 Ų12139 Ų3979%0.78622%0.215SC*.THydrogen-bonded Turntrans-64.2128.3-179.824.9-32.1000111.8
195G75.7Confident78.6Confident29 Ų2941.4 Ų41.430%0.29923%0.228SC..THydrogen-bonded Turntrans96.1-5.6-179.200000114.4E163 N193E163-G195 PolarHBondContact N-O 2.76Å; N193-G195 PolarHBondContact O-N 3.1Å
196L82.3Confident78.6Confident46 Ų4641.6 Ų41.624%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-97.9149.4167-63.7179.9000110.6E160 V161 T162 K189 S190 N193E160-L196 HydrophobicContact CB-CB 4.15Å; E160-L196 HydrophobicContact CB-CD1 4.13Å; E160-L196 WeakPolarHBondContact OE2-CD1 3.42Å; V161-L196 CarbonylContact O-C 3.54Å; V161-L196 WeakPolarHBondContact O-CA 3.35Å; T162-L196 HydrophobicContact CG2-CD2 3.94Å; K189-L196 WeakPolarHBondContact CA-O 3.3Å; S190-L196 PolarHBondContact N-O 3.27Å; N193-L196 HydrophobicContact CB-CB 4.2Å; N193-L196 HydrophobicContact CB-CD1 3.61Å; N193-L196 HydrophobicContact CB-CG 4.13Å; N193-L196 PolarHBondContact O-N 3.35Å
197V82.9Confident78.7Confident0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-118123.6178.7-173.80000107.2E160 V161 E163 F166 V185 Y188 Y199E160-V197 WeakPolarHBondContact CA-O 3.35Å; V161-V197 HydrophobicContact CG2-CB 4.45Å; V161-V197 PolarHBondContact N-O 3.45Å; V161-V197 PolarHBondContact O-N 2.88Å; E163-V197 HydrophobicContact CB-CG2 4.45Å; E163-V197 HydrophobicContact CG-CG2 3.86Å; F166-V197 HydrophobicContact CB-CB 4.34Å; F166-V197 HydrophobicContact CB-CG2 4.3Å; F166-V197 HydrophobicContact CD2-CB 4.06Å; F166-V197 HydrophobicContact CD2-CG1 3.53Å; F166-V197 HydrophobicContact CE2-CG1 3.82Å; F166-V197 HydrophobicContact CG-CB 4.33Å; F166-V197 HydrophobicContact CG-CG1 3.98Å; V185-V197 HydrophobicContact CG1-CG2 3.91Å; Y188-V197 CarbonylContact O-C 3.57Å; Y188-V197 VanDerWaalsContact O-CA 3.3Å; Y188-V197 WeakPolarHBondContact O-CA 3.4Å; V197-Y199 PolarHBondContact O-N 3.33Å
198D83.3Confident78.8Confident4 Ų445.2 Ų45.22%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-81.8105.2177.2-173.4-28000109.4H117 G159 E160 Y188 L200 A201H117-D198 IonicContact CD2-OD2 3.79Å; H117-D198 WeakPolarHBondContact CE1-CB 3.43Å; H117-D198 IonicContact CE1-OD2 3.73Å; H117-D198 WeakPolarHBondContact NE2-CB 3.21Å; H117-D198 IonicContact NE2-OD2 3.99Å; H117-D198 PolarHBondContact NE2-OD2 3.24Å; G159-D198 WeakPolarHBondContact O-CA 3.44Å; E160-D198 HydrophobicContact CG-CB 4.42Å; Y188-D198 PolarHBondContact O-N 3.06Å; D198-L200 WeakPolarHBondContact OD1-CA 3.46Å; D198-L200 WeakPolarHBondContact OD1-CB 3.47Å; D198-L200 PolarHBondContact OD1-N 2.86Å; D198-A201 HydrophobicContact CB-CB 4.07Å; D198-A201 PolarHBondContact OD1-N 3.3Å
199Y85.3Confident78.9Confident7 Ų746.5 Ų46.53%0.02725%0.251CS..Hα-helixtrans-81.1-17.8179.872.9-90.8000112.4R147 Y150 D154 G159 V161 V197 F202 E203R147-Y199 HydrophobicContact CG-CE2 4.39Å; Y150-Y199 VanDerWaalsContact CD2-CB 3.45Å; Y150-Y199 HydrophobicContact CD2-CD1 4.45Å; Y150-Y199 AromaticContact CD2-CD2 3.61Å; Y150-Y199 HydrophobicContact CD2-CD2 3.61Å; Y150-Y199 AromaticContact CD2-CG 3.58Å; Y150-Y199 HydrophobicContact CD2-CG 3.58Å; Y150-Y199 HydrophobicContact CE2-CG 4.37Å; Y150-Y199 HydrophobicContact CG-CD1 4.21Å; Y150-Y199 HydrophobicContact CG-CD2 4.01Å; Y150-Y199 AromaticContact CG-CG 3.77Å; Y150-Y199 HydrophobicContact CG-CG 3.77Å; D154-Y199 HydrophobicContact CB-CE1 3.88Å; D154-Y199 WeakPolarHBondContact OD2-CE1 3.42Å; D154-Y199 PolarHBondContact OD2-OH 3.1Å; G159-Y199 VanDerWaalsContact O-CD1 3.27Å; G159-Y199 WeakPolarHBondContact O-CD1 3.27Å; G159-Y199 WeakPolarHBondContact O-CE1 3.07Å; G159-Y199 PolarHBondContact O-N 2.93Å; V161-Y199 HydrophobicContact CG1-CD1 3.77Å; V161-Y199 HydrophobicContact CG1-CE1 4.01Å; V161-Y199 HydrophobicContact CG2-CD1 4.16Å; V197-Y199 PolarHBondContact O-N 3.33Å; Y199-F202 WeakPolarHBondContact O-CB 3.35Å; Y199-F202 PolarHBondContact O-N 3.04Å; Y199-E203 PolarHBondContact O-N 3.21Å
200L80.5Confident79Confident31 Ų3144.7 Ų44.716%0.16224%0.244CC..Hα-helixtrans-74.3-33.2174.6-66.5178.2000111.1T113 G159 D198 F202 E203 K204T113-L200 HydrophobicContact CG2-CB 4.03Å; G159-L200 VanDerWaalsContact CA-CD1 3.46Å; D198-L200 WeakPolarHBondContact OD1-CA 3.46Å; D198-L200 WeakPolarHBondContact OD1-CB 3.47Å; D198-L200 PolarHBondContact OD1-N 2.86Å; L200-F202 VanDerWaalsContact C-N 3.35Å; L200-E203 PolarHBondContact O-N 3.41Å; L200-K204 WeakPolarHBondContact O-CB 3.3Å; L200-K204 PolarHBondContact O-N 3.31Å
201A78.2Confident79.4Confident7 Ų747.7 Ų47.76%0.05827%0.266CS..Hα-helixtrans-63.9-42.2169.800000111.3H117 Y188 D198 K204 D205H117-A201 WeakPolarHBondContact CD2-CB 3.47Å; Y188-A201 HydrophobicContact CD1-CB 4.08Å; Y188-A201 HydrophobicContact CE1-CB 4.41Å; D198-A201 HydrophobicContact CB-CB 4.07Å; D198-A201 PolarHBondContact OD1-N 3.3Å; A201-K204 PolarHBondContact O-N 3.28Å; A201-D205 WeakPolarHBondContact O-CB 3.15Å; A201-D205 PolarHBondContact O-N 3.08Å
202F83.8Confident80Confident0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-61.8-42.7172.2172.3-113.8000112.4L132 I135 I146 F166 F170 L184 Y188 Y199 L200 D205 I206L132-F202 HydrophobicContact CD2-CD2 3.91Å; L132-F202 HydrophobicContact CD2-CE2 3.67Å; I135-F202 HydrophobicContact CG2-CE2 4.5Å; I135-F202 HydrophobicContact CG2-CZ 4.02Å; I146-F202 HydrophobicContact CD1-CD1 4.16Å; I146-F202 HydrophobicContact CD1-CE1 3.97Å; I146-F202 HydrophobicContact CG1-CE1 4.24Å; I146-F202 HydrophobicContact CG2-CD1 3.76Å; I146-F202 HydrophobicContact CG2-CE1 4.03Å; F166-F202 HydrophobicContact CE2-CD1 4.46Å; F166-F202 HydrophobicContact CZ-CD1 4.47Å; F170-F202 HydrophobicContact CE2-CZ 4.05Å; L184-F202 HydrophobicContact CD1-CE2 4.07Å; L184-F202 HydrophobicContact CD2-CD2 4.18Å; L184-F202 HydrophobicContact CD2-CE2 4.04Å; Y188-F202 HydrophobicContact CD1-CB 3.84Å; Y188-F202 HydrophobicContact CD2-CB 4.13Å; Y188-F202 HydrophobicContact CD2-CD2 4.05Å; Y188-F202 HydrophobicContact CD2-CG 4.46Å; Y188-F202 VanDerWaalsContact CE1-CA 3.4Å; Y188-F202 HydrophobicContact CE1-CB 3.83Å; Y188-F202 HydrophobicContact CE1-CD2 4.49Å; Y188-F202 HydrophobicContact CE2-CB 4.12Å; Y188-F202 AromaticContact CE2-CD2 3.51Å; Y188-F202 HydrophobicContact CE2-CD2 3.51Å; Y188-F202 HydrophobicContact CE2-CE2 4.38Å; Y188-F202 HydrophobicContact CE2-CG 4.25Å; Y188-F202 HydrophobicContact CG-CB 4Å; Y188-F202 AromaticContact CZ-CD2 3.77Å; Y199-F202 WeakPolarHBondContact O-CB 3.35Å; Y199-F202 PolarHBondContact O-N 3.04Å; L200-F202 VanDerWaalsContact C-N 3.35Å; F202-D205 PolarHBondContact O-N 3.19Å; F202-I206 HydrophobicContact CD1-CD1 4.26Å; F202-I206 HydrophobicContact CD2-CD1 3.86Å; F202-I206 HydrophobicContact CD2-CG1 4.49Å; F202-I206 HydrophobicContact CE1-CD1 3.76Å; F202-I206 HydrophobicContact CE2-CD1 3.32Å; F202-I206 HydrophobicContact CE2-CG1 4.25Å; F202-I206 HydrophobicContact CG-CD1 4.31Å; F202-I206 HydrophobicContact CZ-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.28Å; F202-I206 PolarHBondContact O-N 3.08Å; F202-I206 VanDerWaalsContact O-N 3.08Å
203E83.8Confident80.5Confident19 Ų1948.7 Ų48.79%0.08926%0.257CS..Hα-helixtrans-60.3-47.6173.8-179.7172.8-12600111.5I146 R147 Y199 L200 D205 I206 E207I146-E203 HydrophobicContact CB-CB 4.26Å; I146-E203 HydrophobicContact CB-CG 4.37Å; I146-E203 HydrophobicContact CD1-CB 4.21Å; I146-E203 HydrophobicContact CD1-CG 4.44Å; I146-E203 HydrophobicContact CG2-CB 4.09Å; R147-E203 WeakPolarHBondContact CB-OE1 3.4Å; R147-E203 IonicContact CZ-OE2 3.72Å; R147-E203 IonicContact NE-OE1 3.85Å; R147-E203 IonicContact NE-OE2 3.18Å; R147-E203 PolarHBondContact NE-OE2 3.34Å; R147-E203 VanDerWaalsContact NE-OE2 3.08Å; R147-E203 IonicContact NH2-OE2 3.55Å; R147-E203 PolarHBondContact NH2-OE2 3.31Å; Y199-E203 PolarHBondContact O-N 3.21Å; L200-E203 PolarHBondContact O-N 3.41Å; E203-D205 PolarHBondContact O-N 3.15Å; E203-I206 PolarHBondContact O-N 3.29Å; E203-E207 WeakPolarHBondContact O-CG 3.4Å; E203-E207 PolarHBondContact O-N 3.1Å
204K81.6Confident80.9Confident89 Ų8949.7 Ų49.739%0.38726%0.257SS..Hα-helixtrans-65.3-38.8-179.6-170.2177.1-176.7174.70112.8L200 A201 I206 E207 M208L200-K204 WeakPolarHBondContact O-CB 3.3Å; L200-K204 PolarHBondContact O-N 3.31Å; A201-K204 PolarHBondContact O-N 3.28Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-E207 PolarHBondContact O-N 2.76Å; K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 WeakPolarHBondContact O-CG 3.46Å; K204-M208 PolarHBondContact O-N 3.15Å
205D83.3Confident81Confident53 Ų5345.8 Ų45.828%0.28324%0.236SC..Hα-helixtrans-66.2-37.7175.8-78.4-9.3000111.4Y188 A201 F202 E203 M208 I209Y188-D205 HydrophobicContact CE1-CB 4.49Å; Y188-D205 VanDerWaalsContact CE1-OD2 3.25Å; Y188-D205 WeakPolarHBondContact CE1-OD2 3.42Å; Y188-D205 WeakPolarHBondContact OH-CB 3.27Å; Y188-D205 PolarHBondContact OH-OD2 3.45Å; A201-D205 WeakPolarHBondContact O-CB 3.15Å; A201-D205 PolarHBondContact O-N 3.08Å; F202-D205 PolarHBondContact O-N 3.19Å; E203-D205 PolarHBondContact O-N 3.15Å; D205-M208 PolarHBondContact O-N 2.87Å; D205-M208 WeakPolarHBondContact OD1-CE 3.45Å; D205-I209 VanDerWaalsContact O-CG1 3.29Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.21Å
206I83.2Confident80.9Confident8 Ų848.4 Ų48.44%0.04124%0.242CC..Hα-helixtrans-68.4-42.3173.8-73.4172.7000111.1L132 I135 N136 I139 I146 F202 E203 K204 M208 I209 D210L132-I206 HydrophobicContact CD2-CG1 4.31Å; I135-I206 HydrophobicContact CG2-CD1 3.99Å; N136-I206 HydrophobicContact CB-CG2 4.43Å; N136-I206 WeakPolarHBondContact OD1-CG2 3.48Å; I139-I206 HydrophobicContact CD1-CD1 3.78Å; I146-I206 HydrophobicContact CD1-CB 4.07Å; I146-I206 HydrophobicContact CD1-CD1 3.53Å; I146-I206 HydrophobicContact CD1-CG1 4.36Å; I146-I206 HydrophobicContact CD1-CG2 4.12Å; F202-I206 HydrophobicContact CD1-CD1 4.26Å; F202-I206 HydrophobicContact CD2-CD1 3.86Å; F202-I206 HydrophobicContact CD2-CG1 4.49Å; F202-I206 HydrophobicContact CE1-CD1 3.76Å; F202-I206 HydrophobicContact CE2-CD1 3.32Å; F202-I206 HydrophobicContact CE2-CG1 4.25Å; F202-I206 HydrophobicContact CG-CD1 4.31Å; F202-I206 HydrophobicContact CZ-CD1 3.27Å; F202-I206 WeakPolarHBondContact O-CG1 3.28Å; F202-I206 PolarHBondContact O-N 3.08Å; F202-I206 VanDerWaalsContact O-N 3.08Å; E203-I206 PolarHBondContact O-N 3.29Å; K204-I206 VanDerWaalsContact C-N 3.32Å; I206-M208 VanDerWaalsContact C-N 3.31Å; I206-M208 PolarHBondContact O-N 2.93Å; I206-I209 PolarHBondContact O-N 2.91Å; I206-D210 WeakPolarHBondContact O-CB 3.32Å; I206-D210 PolarHBondContact O-N 2.76Å
207E82.5Confident80.1Confident114 Ų11451.1 Ų51.153%0.53325%0.254SS..Hα-helixtrans-62-38.2173.1-75.4-179173.400111.9E203 K204 D210 S211E203-E207 WeakPolarHBondContact O-CG 3.4Å; E203-E207 PolarHBondContact O-N 3.1Å; K204-E207 PolarHBondContact O-N 2.76Å; E207-D210 PolarHBondContact O-N 3.38Å; E207-S211 VanDerWaalsContact O-CB 3.31Å; E207-S211 WeakPolarHBondContact O-CB 3.16Å; E207-S211 PolarHBondContact O-N 3.14Å; E207-S211 PolarHBondContact O-OG 3.4Å
208M81Confident79Confident95 Ų9555.4 Ų55.447%0.46828%0.276SS..Hα-helixtrans-65.4-43.5173.8-78.6-165.1-63.800111.3K204 D205 I206 S211 Y212K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 WeakPolarHBondContact O-CG 3.46Å; K204-M208 PolarHBondContact O-N 3.15Å; D205-M208 PolarHBondContact O-N 2.87Å; D205-M208 WeakPolarHBondContact OD1-CE 3.45Å; I206-M208 VanDerWaalsContact C-N 3.31Å; I206-M208 PolarHBondContact O-N 2.93Å; M208-S211 WeakPolarHBondContact CA-OG 3.39Å; M208-S211 PolarHBondContact O-N 3.18Å; M208-S211 PolarHBondContact O-OG 2.84Å; M208-Y212 WeakPolarHBondContact O-CB 3.37Å; M208-Y212 PolarHBondContact O-N 2.96Å
209I81.1Confident77.8Confident32 Ų3259.6 Ų59.616%0.16430%0.299CS..Hα-helixtrans-64.2-42.4175.2-70.1167000110.7L132 N136 D205 I206 S211 Y212 E213L132-I209 HydrophobicContact CB-CD1 3.46Å; L132-I209 VanDerWaalsContact CB-CD1 3.46Å; L132-I209 HydrophobicContact CD1-CD1 3.89Å; L132-I209 HydrophobicContact CG-CD1 4.3Å; N136-I209 HydrophobicContact CB-CG2 4.26Å; D205-I209 VanDerWaalsContact O-CG1 3.29Å; D205-I209 WeakPolarHBondContact O-CG1 3.35Å; D205-I209 PolarHBondContact O-N 3.21Å; I206-I209 PolarHBondContact O-N 2.91Å; I209-S211 PolarHBondContact O-N 3.45Å; I209-Y212 CarbonylContact O-C 3.58Å; I209-Y212 PolarHBondContact O-N 2.88Å; I209-E213 HydrophobicContact CG2-CG 4.2Å; I209-E213 WeakPolarHBondContact O-CB 3.39Å; I209-E213 WeakPolarHBondContact O-CG 3.33Å; I209-E213 PolarHBondContact O-N 3.34Å
210D81.5Confident76.2Confident30 Ų3064.1 Ų64.116%0.1633%0.327CS..Hα-helixtrans-63.9-40.3175.5-176.453.7000111.5R140 I206 E207 Y212 E213 K214R140-D210 VanDerWaalsContact CD-OD1 3.27Å; R140-D210 WeakPolarHBondContact CD-OD1 3.43Å; R140-D210 IonicContact CZ-OD1 3.03Å; R140-D210 IonicContact NE-OD1 3.98Å; R140-D210 PolarHBondContact NE-OD1 3.27Å; R140-D210 IonicContact NH1-OD1 4Å; I206-D210 WeakPolarHBondContact O-CB 3.32Å; I206-D210 PolarHBondContact O-N 2.76Å; E207-D210 PolarHBondContact O-N 3.38Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; D210-Y212 PolarHBondContact O-N 3.14Å; D210-E213 PolarHBondContact O-N 2.95Å; D210-K214 VanDerWaalsContact O-CB 3.27Å; D210-K214 WeakPolarHBondContact O-CB 3.45Å; D210-K214 VanDerWaalsContact O-CG 3.29Å; D210-K214 WeakPolarHBondContact O-CG 3.47Å; D210-K214 PolarHBondContact O-N 3.21Å; D210-K214 IonicContact OD1-NZ 3.91Å; D210-K214 VanDerWaalsContact OD2-CE 3.29Å; D210-K214 WeakPolarHBondContact OD2-CE 3.45Å; D210-K214 IonicContact OD2-NZ 3.09Å; D210-K214 PolarHBondContact OD2-NZ 2.93Å
211S80.6Confident74.6Confident69 Ų6965.2 Ų65.248%0.48334%0.335SS..Hα-helixtrans-65.9-36.1173.5790000112.2E207 M208 I209 A215E207-S211 VanDerWaalsContact O-CB 3.31Å; E207-S211 WeakPolarHBondContact O-CB 3.16Å; E207-S211 PolarHBondContact O-N 3.14Å; E207-S211 PolarHBondContact O-OG 3.4Å; M208-S211 WeakPolarHBondContact CA-OG 3.39Å; M208-S211 PolarHBondContact O-N 3.18Å; M208-S211 PolarHBondContact O-OG 2.84Å; I209-S211 PolarHBondContact O-N 3.45Å; S211-A215 WeakPolarHBondContact O-CB 3.3Å; S211-A215 PolarHBondContact O-N 2.97Å
212Y79.5Confident73Confident158 Ų15867.4 Ų67.462%0.6235%0.346SS*.Hα-helixtrans-73-41.2177.2-175.6-95.6000111.5M208 I209 D210 A215 L216M208-Y212 WeakPolarHBondContact O-CB 3.37Å; M208-Y212 PolarHBondContact O-N 2.96Å; I209-Y212 CarbonylContact O-C 3.58Å; I209-Y212 PolarHBondContact O-N 2.88Å; D210-Y212 VanDerWaalsContact C-N 3.34Å; D210-Y212 PolarHBondContact O-N 3.14Å; Y212-A215 CarbonylContact O-C 3.59Å; Y212-A215 PolarHBondContact O-N 3.47Å; Y212-L216 HydrophobicContact CD1-CD1 4.29Å; Y212-L216 HydrophobicContact CE1-CD1 3.62Å; Y212-L216 HydrophobicContact CE2-CD1 4.35Å; Y212-L216 WeakPolarHBondContact O-CB 3.46Å; Y212-L216 PolarHBondContact O-N 2.89Å
213E76.7Confident70.9Confident35 Ų3571.6 Ų71.616%0.16438%0.381CS..Hα-helixtrans-65-44.7174.4-74.6179.417700110.5S133 N136 R140 I209 D210 L216 E217S133-E213 PolarHBondContact OG-OE1 3.4Å; N136-E213 PolarHBondContact ND2-OE2 3.39Å; R140-E213 IonicContact NH1-OE2 2.67Å; I209-E213 HydrophobicContact CG2-CG 4.2Å; I209-E213 WeakPolarHBondContact O-CB 3.39Å; I209-E213 WeakPolarHBondContact O-CG 3.33Å; I209-E213 PolarHBondContact O-N 3.34Å; D210-E213 PolarHBondContact O-N 2.95Å; E213-L216 WeakPolarHBondContact O-CB 3.37Å; E213-L216 PolarHBondContact O-N 3.05Å; E213-E217 WeakPolarHBondContact O-CB 3.5Å; E213-E217 VanDerWaalsContact O-CG 3.3Å; E213-E217 WeakPolarHBondContact O-CG 3.32Å; E213-E217 PolarHBondContact O-N 3.05Å
214K77.1Confident68.9Low96 Ų9677.3 Ų77.342%0.41741%0.405SS..Hα-helixtrans-62.5-41171.5-76.4171.2-180162.30112.5D210 L216 E217 D218D210-K214 VanDerWaalsContact O-CB 3.27Å; D210-K214 WeakPolarHBondContact O-CB 3.45Å; D210-K214 VanDerWaalsContact O-CG 3.29Å; D210-K214 WeakPolarHBondContact O-CG 3.47Å; D210-K214 PolarHBondContact O-N 3.21Å; D210-K214 IonicContact OD1-NZ 3.91Å; D210-K214 VanDerWaalsContact OD2-CE 3.29Å; D210-K214 WeakPolarHBondContact OD2-CE 3.45Å; D210-K214 IonicContact OD2-NZ 3.09Å; D210-K214 PolarHBondContact OD2-NZ 2.93Å; K214-L216 VanDerWaalsContact C-N 3.31Å; K214-L216 PolarHBondContact O-N 3.16Å; K214-E217 WeakPolarHBondContact O-CB 3.25Å; K214-E217 PolarHBondContact O-N 3.35Å; K214-D218 WeakPolarHBondContact O-CB 3.46Å; K214-D218 PolarHBondContact O-N 2.96Å
215A76.2Confident66.8Low40 Ų4073.2 Ų73.233%0.33139%0.387SS..Hα-helixtrans-67.7-30.3174.800000112.1S211 Y212 N219S211-A215 WeakPolarHBondContact O-CB 3.3Å; S211-A215 PolarHBondContact O-N 2.97Å; Y212-A215 CarbonylContact O-C 3.59Å; Y212-A215 PolarHBondContact O-N 3.47Å; A215-N219 WeakPolarHBondContact O-CB 3.46Å; A215-N219 PolarHBondContact O-N 2.97Å; A215-N219 PolarHBondContact O-ND2 3.3Å
216L74.1Confident64.3Low83 Ų8379 Ų7944%0.43541%0.41SS..Hα-helixtrans-72.4-42.6172.8-130.688.2000110.8Y212 E213 K214 D218 N219 T220Y212-L216 HydrophobicContact CD1-CD1 4.29Å; Y212-L216 HydrophobicContact CE1-CD1 3.62Å; Y212-L216 HydrophobicContact CE2-CD1 4.35Å; Y212-L216 WeakPolarHBondContact O-CB 3.46Å; Y212-L216 PolarHBondContact O-N 2.89Å; E213-L216 WeakPolarHBondContact O-CB 3.37Å; E213-L216 PolarHBondContact O-N 3.05Å; K214-L216 VanDerWaalsContact C-N 3.31Å; K214-L216 PolarHBondContact O-N 3.16Å; L216-D218 PolarHBondContact O-N 3.41Å; L216-N219 PolarHBondContact O-N 3.23Å; L216-T220 VanDerWaalsContact O-CB 3.31Å; L216-T220 WeakPolarHBondContact O-CB 3.36Å; L216-T220 PolarHBondContact O-N 3.45Å; L216-T220 PolarHBondContact O-OG1 3.03Å
217E66.3Low61.8Low103 Ų10382.9 Ų82.948%0.48143%0.431SS..Hα-helixtrans-57.2-39.9171.5-71.1168.1-160.200110.1R140 E213 K214 T221R140-E217 IonicContact CZ-OE1 2.73Å; R140-E217 IonicContact NH1-OE1 4Å; R140-E217 PolarHBondContact NH1-OE1 2.74Å; R140-E217 VanDerWaalsContact NH1-OE1 3.09Å; R140-E217 IonicContact NH2-OE1 2.81Å; R140-E217 IonicContact NH2-OE2 2.89Å; E213-E217 WeakPolarHBondContact O-CB 3.5Å; E213-E217 VanDerWaalsContact O-CG 3.3Å; E213-E217 WeakPolarHBondContact O-CG 3.32Å; E213-E217 PolarHBondContact O-N 3.05Å; K214-E217 WeakPolarHBondContact O-CB 3.25Å; K214-E217 PolarHBondContact O-N 3.35Å; E217-T221 PolarHBondContact O-OG1 3.41Å
218D60.2Low59.3Low90 Ų9079.9 Ų79.948%0.48142%0.418SS..Hα-helixtrans-76-35.8175.6-86.3-34.1000114.3K214 L216 T221 L222 K417K214-D218 WeakPolarHBondContact O-CB 3.46Å; K214-D218 PolarHBondContact O-N 2.96Å; L216-D218 PolarHBondContact O-N 3.41Å; D218-T221 VanDerWaalsContact C-OG1 3.25Å; D218-T221 WeakPolarHBondContact CA-OG1 3.4Å; D218-T221 PolarHBondContact O-OG1 3.29Å; D218-L222 WeakPolarHBondContact O-CB 3.25Å; D218-L222 WeakPolarHBondContact O-CD1 3.39Å; D218-L222 PolarHBondContact O-N 3.09Å; D218-L222 VanDerWaalsContact O-N 3.13Å; D218-K417 PolarHBondContact O-NZ 3.09Å; D218-K417 IonicContact OD1-NZ 2.84Å; D218-K417 PolarHBondContact OD1-NZ 3.03Å
219N57Low56.9Low93 Ų9379.6 Ų79.650%0.49742%0.419SS..Hα-helixtrans-78.1-32.4-179.6-78.7-35.8000112.8A215 L216 T221 L222 A223A215-N219 WeakPolarHBondContact O-CB 3.46Å; A215-N219 PolarHBondContact O-N 2.97Å; A215-N219 PolarHBondContact O-ND2 3.3Å; L216-N219 PolarHBondContact O-N 3.23Å; N219-T221 PolarHBondContact O-N 2.93Å; N219-L222 PolarHBondContact O-N 2.74Å; N219-A223 PolarHBondContact O-N 3.4Å
220T52.3Low54.4Low101 Ų10180.7 Ų80.762%0.6242%0.423SS*.Hα-helixtrans-66.4-24.9174.9-49.40000111.6L216L216-T220 VanDerWaalsContact O-CB 3.31Å; L216-T220 WeakPolarHBondContact O-CB 3.36Å; L216-T220 PolarHBondContact O-N 3.45Å; L216-T220 PolarHBondContact O-OG1 3.03Å
221T47Very low51.9Low54 Ų5483.3 Ų83.333%0.33144%0.44SS..Hα-helixtrans-85-29.2172.138.30000110.9E217 D218 N219 K417E217-T221 PolarHBondContact O-OG1 3.41Å; D218-T221 VanDerWaalsContact C-OG1 3.25Å; D218-T221 WeakPolarHBondContact CA-OG1 3.4Å; D218-T221 PolarHBondContact O-OG1 3.29Å; N219-T221 PolarHBondContact O-N 2.93Å; T221-K417 WeakPolarHBondContact O-CB 3.24Å; T221-K417 WeakPolarHBondContact O-CD 3.5Å; T221-K417 WeakPolarHBondContact O-CG 3.44Å; T221-K417 WeakPolarHBondContact OG1-CE 3.37Å; T221-K417 PolarHBondContact OG1-NZ 2.97Å
222L44Very low49.4Very low54 Ų5487.2 Ų87.228%0.28345%0.448SS..Hα-helixtrans-80-25.5-171.2-108.4147000115D218 N219 K224 K417 R421D218-L222 WeakPolarHBondContact O-CB 3.25Å; D218-L222 WeakPolarHBondContact O-CD1 3.39Å; D218-L222 PolarHBondContact O-N 3.09Å; D218-L222 VanDerWaalsContact O-N 3.13Å; N219-L222 PolarHBondContact O-N 2.74Å; L222-K224 VanDerWaalsContact C-N 3.27Å; L222-K224 PolarHBondContact O-N 2.96Å; L222-K417 HydrophobicContact CB-CD 4.08Å; L222-K417 HydrophobicContact CG-CD 3.75Å; L222-R421 VanDerWaalsContact CD2-NH1 3.26Å; L222-R421 VanDerWaalsContact CD2-NH2 3.27Å
223A38.9Very low47.2Very low88 Ų8886.2 Ų86.273%0.72745%0.449SS*.THydrogen-bonded Turntrans-73.9-11.1-176.300000114.9N219 D225N219-A223 PolarHBondContact O-N 3.4Å; A223-D225 PolarHBondContact O-N 3.32Å
224K41.8Very low45.5Very low139 Ų13993.2 Ų93.260%0.60448%0.479SS*.THydrogen-bonded Turntrans-74.2-12.8-173.3-73.8-172.7170.5175.80113.4L222 S416L222-K224 VanDerWaalsContact C-N 3.27Å; L222-K224 PolarHBondContact O-N 2.96Å; K224-S416 VanDerWaalsContact CA-OG 3.22Å; K224-S416 WeakPolarHBondContact CA-OG 3.33Å; K224-S416 WeakPolarHBondContact CB-OG 3.4Å; K224-S416 PolarHBondContact O-OG 2.92Å
225D38.5Very low43.7Very low2 Ų295.1 Ų95.11%0.01149%0.494CS..  trans-130.116.6-145-137.8-17000121.8A223 N227 S416 K417 E418 D419 R422A223-D225 PolarHBondContact O-N 3.32Å; D225-N227 PolarHBondContact O-N 3.12Å; D225-S416 WeakPolarHBondContact CA-OG 3.38Å; D225-S416 WeakPolarHBondContact CB-OG 3.38Å; D225-S416 VanDerWaalsContact CG-C 3.44Å; D225-S416 PolarHBondContact N-OG 3.21Å; D225-S416 VanDerWaalsContact N-OG 3.13Å; D225-S416 WeakPolarHBondContact OD1-CB 3.48Å; D225-S416 PolarHBondContact OD1-OG 3.5Å; D225-S416 VanDerWaalsContact OD1-OG 3.09Å; D225-S416 WeakPolarHBondContact OD2-CA 3.25Å; D225-S416 WeakPolarHBondContact OD2-CB 3.34Å; D225-S416 PolarHBondContact OD2-OG 3.48Å; D225-K417 HydrophobicContact CB-CB 4.46Å; D225-K417 WeakPolarHBondContact OD2-CA 3.13Å; D225-K417 PolarHBondContact OD2-N 3.11Å; D225-E418 VanDerWaalsContact C-OE2 3.28Å; D225-E418 HydrophobicContact CB-CB 3.38Å; D225-E418 HydrophobicContact CB-CG 3.59Å; D225-E418 VanDerWaalsContact CG-C 3.43Å; D225-E418 VanDerWaalsContact CG-CB 3.46Å; D225-E418 WeakPolarHBondContact O-CB 3.29Å; D225-E418 VanDerWaalsContact O-CG 3.26Å; D225-E418 WeakPolarHBondContact O-CG 3.18Å; D225-E418 WeakPolarHBondContact OD2-CA 3.48Å; D225-E418 PolarHBondContact OD2-N 2.88Å; D225-D419 WeakPolarHBondContact OD1-CB 3.22Å; D225-D419 PolarHBondContact OD1-N 3.33Å; D225-D419 VanDerWaalsContact OD2-CA 3.32Å; D225-D419 WeakPolarHBondContact OD2-CA 3.2Å; D225-D419 VanDerWaalsContact OD2-CB 3.25Å; D225-D419 WeakPolarHBondContact OD2-CB 3.43Å; D225-D419 PolarHBondContact OD2-N 3.42Å; D225-R422 PolarHBondContact O-NH1 2.98Å; D225-R422 IonicContact OD1-NH1 2.68Å
226K31.6Very low41.7Very low174 Ų17499 Ų9976%0.75751%0.509SS*.  trans-42.1113161.9-67176.2177.5178.80109.7E418K226-E418 VanDerWaalsContact CA-CD 3.48Å; K226-E418 VanDerWaalsContact CA-OE1 3.31Å; K226-E418 WeakPolarHBondContact CA-OE1 3.48Å; K226-E418 WeakPolarHBondContact CA-OE2 3.45Å; K226-E418 VanDerWaalsContact N-CD 3.26Å; K226-E418 PolarHBondContact N-OE1 3.26Å; K226-E418 PolarHBondContact N-OE2 3.33Å
227N29.1Very low40.1Very low91 Ų91100.2 Ų100.249%0.48752%0.515SS..  trans158.397.4147.2-90-39.6000113.9D225 E418 R422D225-N227 PolarHBondContact O-N 3.12Å; N227-E418 PolarHBondContact N-OE2 2.91Å; N227-R422 PolarHBondContact O-NE 3.49Å; N227-R422 VanDerWaalsContact O-NE 3.07Å; N227-R422 PolarHBondContact O-NH1 3.42Å; N227-R422 PolarHBondContact O-NH2 3.14Å
228I31.8Very low39.3Very low50 Ų50100.9 Ų100.926%0.25652%0.522SS..  trans121.9137.1144.2-57.2149000114.8E359 R363 R422I228-E359 HydrophobicContact CG2-CB 3.25Å; I228-E359 WeakPolarHBondContact CG2-O 3.43Å; I228-R363 HydrophobicContact CB-CB 3.88Å; I228-R363 HydrophobicContact CB-CG 4.09Å; I228-R363 HydrophobicContact CD1-CB 3.75Å; I228-R363 HydrophobicContact CD1-CG 3.73Å; I228-R363 HydrophobicContact CG1-CB 4.41Å; I228-R363 HydrophobicContact CG1-CG 4.49Å; I228-R363 HydrophobicContact CG2-CB 3.95Å; I228-R422 VanDerWaalsContact N-CZ 3.27Å; I228-R422 PolarHBondContact O-NE 3.12Å; I228-R422 PolarHBondContact O-NH2 3.39Å
229D29.4Very low39Very low90 Ų90102.4 Ų102.448%0.48153%0.528SS..  trans-83150.9-167.3-61.1-87.5000111E359 D360D229-E359 HydrophobicContact CB-CB 4.34Å; D229-E359 CarbonylContact O-C 3.58Å; D229-D360 VanDerWaalsContact C-OD1 3.29Å; D229-D360 WeakPolarHBondContact O-CA 3.38Å; D229-D360 WeakPolarHBondContact O-CB 3.26Å; D229-D360 PolarHBondContact O-N 3.45Å
230H28.7Very low39.3Very low54 Ų5499.3 Ų99.325%0.2551%0.514CS..  145.8107.2122.9-93-34.2000120.7L356 S357 E359 D360H230-L356 CarbonylContact O-C 3.33Å; H230-L356 WeakPolarHBondContact O-CA 3.19Å; H230-S357 VanDerWaalsContact CA-OG 3.24Å; H230-S357 WeakPolarHBondContact CA-OG 2.94Å; H230-S357 WeakPolarHBondContact CB-O 3.37Å; H230-S357 WeakPolarHBondContact CB-OG 3.39Å; H230-S357 VanDerWaalsContact CG-OG 3.22Å; H230-S357 PolarHBondContact ND1-OG 3.46Å; H230-S357 PolarHBondContact O-N 3.49Å; H230-S357 PolarHBondContact O-OG 3.01Å; H230-E359 VanDerWaalsContact CD2-CB 3.43Å; H230-E359 WeakPolarHBondContact CD2-CB 3.39Å; H230-E359 WeakPolarHBondContact CD2-CG 3.47Å; H230-E359 PolarHBondContact CD2-N 2.58Å; H230-E359 VanDerWaalsContact CD2-N 3.31Å; H230-E359 IonicContact CD2-OE1 2.98Å; H230-E359 IonicContact CE1-OE1 3Å; H230-E359 WeakPolarHBondContact NE2-CG 3.35Å; H230-E359 IonicContact NE2-OE1 3.72Å; H230-E359 PolarHBondContact NE2-OE1 2.92Å; H230-E359 IonicContact NE2-OE2 3.62Å; H230-D360 HydrophobicContact CB-CB 4.07Å; H230-D360 PolarHBondContact N-OD2 3.18Å
231V28.2Very low40.1Very low86 Ų8697.3 Ų97.352%0.52150%0.504SS..  trans17.3123.1141.7-156.40000123.4Q233 S357V231-Q233 HydrophobicContact CG1-CG 4.16Å; V231-S357 VanDerWaalsContact CA-OG 3.31Å; V231-S357 WeakPolarHBondContact CA-OG 3.42Å; V231-S357 WeakPolarHBondContact CB-OG 2.98Å; V231-S357 PolarHBondContact N-OG 3.02Å; V231-S357 VanDerWaalsContact N-OG 3.1Å; V231-S357 PolarHBondContact O-N 2.9Å; V231-S357 PolarHBondContact O-OG 3.15Å
232F28.6Very low41.4Very low150 Ų15098.1 Ų98.166%0.65850%0.504SS*.  -131.7134.7117.2-98.5-99.6000108.7K234 V355F232-K234 PolarHBondContact O-N 3.09Å; F232-V355 HydrophobicContact CD2-CB 3.88Å; F232-V355 HydrophobicContact CD2-CG1 4.26Å; F232-V355 WeakPolarHBondContact CD2-O 3.15Å; F232-V355 HydrophobicContact CE2-CB 3.4Å; F232-V355 HydrophobicContact CE2-CG1 3.44Å; F232-V355 VanDerWaalsContact CE2-CG1 3.44Å; F232-V355 HydrophobicContact CE2-CG2 4.5Å; F232-V355 HydrophobicContact CZ-CB 4.05Å; F232-V355 HydrophobicContact CZ-CG1 4.13Å
233Q32.8Very low43Very low138 Ų138100.1 Ų100.165%0.64551%0.511SS*.  trans-66.4122.8-161.3-77.7167.9-1900114.7V231 D235V231-Q233 HydrophobicContact CG1-CG 4.16Å; Q233-D235 PolarHBondContact O-N 3.35Å; Q233-D235 VanDerWaalsContact O-N 3.16Å
234K41.1Very low44.8Very low182 Ų182100.7 Ų100.779%0.79150%0.5SS*.THydrogen-bonded Turntrans-66.7-10.5-176.2-138.9175.2-177.4-176.80114.8F232F232-K234 PolarHBondContact O-N 3.09Å
235D39.2Very low46.6Very low135 Ų13594.1 Ų94.172%0.72247%0.472SS*.THydrogen-bonded Turntrans-88.4-17.6-172.7-63.1-25.2000113.8Q233Q233-D235 PolarHBondContact O-N 3.35Å; Q233-D235 VanDerWaalsContact O-N 3.16Å
236N35Very low48.7Very low122 Ų12294 Ų9465%0.65247%0.471SS*.SBendtrans-92.2-4179.4-73.7-30.1000114.4
237L41.3Very low50.9Low108 Ų10889.5 Ų89.557%0.56546%0.455SS*.SBendtrans-93.7-8.5-178.3-74.2160.6000113.4I239 M244L237-I239 VanDerWaalsContact C-N 3.35Å; L237-M244 HydrophobicContact CD2-CE 4.35Å
238L49.1Very low53.2Low118 Ų11886.9 Ų86.962%0.61844%0.439SS*.SBendtrans-76.7-22.4178.6-78157.5000112.7
239I54.5Low55.6Low121 Ų12184.5 Ų84.562%0.62143%0.426SS*.SBendtrans-125.798.7174.4-53.6173.1000107.1L237 S241 M301L237-I239 VanDerWaalsContact C-N 3.35Å; I239-S241 PolarHBondContact O-N 3.25Å; I239-M301 HydrophobicContact CG2-CE 4.14Å; I239-M301 HydrophobicContact CG2-SD 4.09Å
240P62Low57.9Low29 Ų2981.7 Ų81.719%0.18841%0.41CS..  trans-63.2124.6179.723-28.3000108.7I245 E298 M301P240-I245 HydrophobicContact CB-CD1 4.36Å; P240-I245 HydrophobicContact CB-CG1 3.89Å; P240-I245 HydrophobicContact CG-CD1 4.18Å; P240-I245 HydrophobicContact CG-CG1 4.1Å; P240-I245 WeakPolarHBondContact O-CD1 3.43Å; P240-E298 HydrophobicContact CG-CG 3.72Å; P240-E298 WeakPolarHBondContact CG-OE1 3.37Å; P240-M301 HydrophobicContact CG-CE 4.37Å
241S70.5Confident60.1Low58 Ų5880.7 Ų80.741%0.40641%0.408SS..  trans-58.8149.7176.866.10000110.6I239 H243 M244 I245I239-S241 PolarHBondContact O-N 3.25Å; S241-H243 PolarHBondContact O-N 3.12Å; S241-H243 VanDerWaalsContact O-N 3.08Å; S241-M244 WeakPolarHBondContact O-CB 3.14Å; S241-M244 PolarHBondContact O-N 3.42Å; S241-M244 VanDerWaalsContact OG-CG 3.23Å; S241-M244 WeakPolarHBondContact OG-CG 3.41Å; S241-M244 PolarHBondContact OG-N 3.16Å; S241-I245 WeakPolarHBondContact O-CG1 3.28Å; S241-I245 PolarHBondContact O-N 3.34Å
242Q73.7Confident62.5Low71 Ų7177.3 Ų77.333%0.33239%0.387SS..Hα-helixtrans-48.9-39.6178.367.9-167.213.700112.6I245 I246Q242-I245 PolarHBondContact O-N 3.22Å; Q242-I246 VanDerWaalsContact O-CG1 3.26Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 3.07Å
243H77.9Confident64.9Low97 Ų9770.6 Ų70.645%0.44936%0.358SS..Hα-helixtrans-68-39.2177.7-73.6-60.2000112.8S241 I245 I246 D247S241-H243 PolarHBondContact O-N 3.12Å; S241-H243 VanDerWaalsContact O-N 3.08Å; H243-I245 VanDerWaalsContact C-N 3.31Å; H243-I245 PolarHBondContact O-N 3.33Å; H243-I246 PolarHBondContact O-N 3.19Å; H243-D247 WeakPolarHBondContact O-CB 3.45Å; H243-D247 VanDerWaalsContact O-CG 3.3Å; H243-D247 PolarHBondContact O-N 3.03Å
244M75.7Confident66.7Low100 Ų10069.3 Ų69.349%0.49335%0.347SS..Hα-helixtrans-64.7-36.7174.6-72.617776.400112L237 S241 R248L237-M244 HydrophobicContact CD2-CE 4.35Å; S241-M244 WeakPolarHBondContact O-CB 3.14Å; S241-M244 PolarHBondContact O-N 3.42Å; S241-M244 VanDerWaalsContact OG-CG 3.23Å; S241-M244 WeakPolarHBondContact OG-CG 3.41Å; S241-M244 PolarHBondContact OG-N 3.16Å; M244-R248 VanDerWaalsContact O-CB 3.3Å; M244-R248 WeakPolarHBondContact O-CB 3.41Å; M244-R248 PolarHBondContact O-N 2.99Å
245I80.9Confident68Low1 Ų166.4 Ų66.41%0.00534%0.34CS..Hα-helixtrans-67.1-46.5176.3-57.2167.9000109.8P240 S241 Q242 H243 D247 R248 I249 L294 E298 M301 L302P240-I245 HydrophobicContact CB-CD1 4.36Å; P240-I245 HydrophobicContact CB-CG1 3.89Å; P240-I245 HydrophobicContact CG-CD1 4.18Å; P240-I245 HydrophobicContact CG-CG1 4.1Å; P240-I245 WeakPolarHBondContact O-CD1 3.43Å; S241-I245 WeakPolarHBondContact O-CG1 3.28Å; S241-I245 PolarHBondContact O-N 3.34Å; Q242-I245 PolarHBondContact O-N 3.22Å; H243-I245 VanDerWaalsContact C-N 3.31Å; H243-I245 PolarHBondContact O-N 3.33Å; I245-D247 PolarHBondContact O-N 3.29Å; I245-R248 WeakPolarHBondContact O-CB 3.49Å; I245-R248 PolarHBondContact O-N 3.4Å; I245-I249 HydrophobicContact CG2-CD1 4.02Å; I245-I249 VanDerWaalsContact O-CG1 3.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.39Å; I245-I249 PolarHBondContact O-N 2.98Å; I245-L294 HydrophobicContact CG2-CD2 3.57Å; I245-E298 HydrophobicContact CD1-CB 3.88Å; I245-E298 HydrophobicContact CD1-CG 3.89Å; I245-E298 HydrophobicContact CG1-CB 4.44Å; I245-E298 HydrophobicContact CG1-CG 4.29Å; I245-E298 HydrophobicContact CG2-CB 4.38Å; I245-M301 HydrophobicContact CD1-CE 3.68Å; I245-L302 HydrophobicContact CG2-CD1 3.71Å; I245-L302 HydrophobicContact CG2-CD2 4.36Å; I245-L302 HydrophobicContact CG2-CG 4.14Å
246I82.7Confident69.6Low0 Ų067.7 Ų67.70%034%0.335CS..Hα-helixtrans-61.3-43.4176.8-69.9169.2000110.8Q242 H243 I249 K250 L302 E323Q242-I246 VanDerWaalsContact O-CG1 3.26Å; Q242-I246 WeakPolarHBondContact O-CG1 3.21Å; Q242-I246 PolarHBondContact O-N 3.07Å; H243-I246 PolarHBondContact O-N 3.19Å; I246-I249 WeakPolarHBondContact O-CB 3.14Å; I246-I249 PolarHBondContact O-N 2.92Å; I246-K250 HydrophobicContact CG2-CD 4.12Å; I246-K250 VanDerWaalsContact CG2-CE 3.44Å; I246-K250 HydrophobicContact CG2-CG 4.47Å; I246-K250 VanDerWaalsContact O-CG 3.27Å; I246-K250 WeakPolarHBondContact O-CG 3.26Å; I246-K250 PolarHBondContact O-N 2.85Å; I246-L302 HydrophobicContact CD1-CD2 4.27Å; I246-L302 HydrophobicContact CG1-CD2 3.82Å; I246-E323 WeakPolarHBondContact CD1-OE1 3.43Å; I246-E323 HydrophobicContact CG2-CG 4.33Å
247D76.6Confident71.6Confident79 Ų7965.1 Ų65.142%0.42234%0.337SS..Hα-helixtrans-67.4-36.3177.8-73.4-15.1000112.3H243 I245 K250 V251H243-D247 WeakPolarHBondContact O-CB 3.45Å; H243-D247 VanDerWaalsContact O-CG 3.3Å; H243-D247 PolarHBondContact O-N 3.03Å; I245-D247 PolarHBondContact O-N 3.29Å; D247-K250 WeakPolarHBondContact O-CB 3.4Å; D247-K250 PolarHBondContact O-N 3.35Å; D247-K250 IonicContact OD1-NZ 3.91Å; D247-K250 PolarHBondContact OD1-NZ 2.84Å; D247-K250 VanDerWaalsContact OD1-NZ 3.15Å; D247-V251 WeakPolarHBondContact O-CG2 3.47Å; D247-V251 PolarHBondContact O-N 3.49Å
248R76.7Confident73.4Confident36 Ų3661.3 Ų61.314%0.13632%0.317CS..Hα-helixtrans-62.4-44.6171.1-172.8177.266.1-171-5.2111.4M244 I245 K250 V251 T252 A292 E298 M431M244-R248 VanDerWaalsContact O-CB 3.3Å; M244-R248 WeakPolarHBondContact O-CB 3.41Å; M244-R248 PolarHBondContact O-N 2.99Å; I245-R248 WeakPolarHBondContact O-CB 3.49Å; I245-R248 PolarHBondContact O-N 3.4Å; R248-K250 VanDerWaalsContact C-N 3.34Å; R248-V251 PolarHBondContact O-N 3.32Å; R248-T252 WeakPolarHBondContact O-CB 3.29Å; R248-T252 PolarHBondContact O-N 3.33Å; R248-T252 PolarHBondContact O-OG1 3.39Å; R248-A292 WeakPolarHBondContact CD-O 3.27Å; R248-A292 HydrophobicContact CG-CB 4.16Å; R248-A292 VanDerWaalsContact CZ-O 3.24Å; R248-A292 PolarHBondContact NE-O 3.09Å; R248-E298 IonicContact CZ-OE1 3.81Å; R248-E298 IonicContact CZ-OE2 2.87Å; R248-E298 IonicContact NH1-OE1 2.68Å; R248-E298 PolarHBondContact NH1-OE1 3.43Å; R248-E298 IonicContact NH1-OE2 3.82Å; R248-E298 PolarHBondContact NH1-OE2 3.44Å; R248-E298 IonicContact NH2-OE1 3.14Å; R248-E298 PolarHBondContact NH2-OE1 3.39Å; R248-E298 IonicContact NH2-OE2 3.81Å; R248-E298 PolarHBondContact NH2-OE2 2.69Å; R248-M431 HydrophobicContact CG-CE 4.38Å; R248-M431 HydrophobicContact CG-SD 4.11Å
249I82.6Confident75Confident0 Ų063.2 Ų63.20%032%0.316CS..Hα-helixtrans-60-45.5175-71.1167000110.1I245 I246 T252 I253 L284 V288 L294 L302 F320 V324I245-I249 HydrophobicContact CG2-CD1 4.02Å; I245-I249 VanDerWaalsContact O-CG1 3.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.39Å; I245-I249 PolarHBondContact O-N 2.98Å; I246-I249 WeakPolarHBondContact O-CB 3.14Å; I246-I249 PolarHBondContact O-N 2.92Å; I249-T252 PolarHBondContact O-N 2.82Å; I249-I253 HydrophobicContact CG2-CD1 3.5Å; I249-I253 VanDerWaalsContact CG2-CD1 3.5Å; I249-I253 HydrophobicContact CG2-CG1 4.39Å; I249-I253 WeakPolarHBondContact O-CB 3.49Å; I249-I253 WeakPolarHBondContact O-CD1 3.26Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.32Å; I249-I253 PolarHBondContact O-N 3.22Å; I249-L284 HydrophobicContact CD1-CD1 4.31Å; I249-V288 HydrophobicContact CG1-CG1 4.23Å; I249-V288 HydrophobicContact CG2-CG1 4.33Å; I249-L294 HydrophobicContact CD1-CD1 4.23Å; I249-L294 HydrophobicContact CD1-CD2 4.09Å; I249-L294 HydrophobicContact CG1-CD1 4.08Å; I249-L294 HydrophobicContact CG1-CD2 4.24Å; I249-L302 HydrophobicContact CD1-CD1 3.55Å; I249-F320 HydrophobicContact CD1-CE2 4.36Å; I249-F320 HydrophobicContact CD1-CZ 4.33Å; I249-V324 HydrophobicContact CG2-CG1 3.86Å; I249-V324 HydrophobicContact CG2-CG2 4.17Å
250K78.8Confident76.4Confident30 Ų3057.5 Ų57.513%0.1329%0.287CS..Hα-helixtrans-58.8-48.4176.1-72.7168.3-178.4164.20112.4I246 D247 R248 T252 I253 R254 E323 P327 F328I246-K250 HydrophobicContact CG2-CD 4.12Å; I246-K250 VanDerWaalsContact CG2-CE 3.44Å; I246-K250 HydrophobicContact CG2-CG 4.47Å; I246-K250 VanDerWaalsContact O-CG 3.27Å; I246-K250 WeakPolarHBondContact O-CG 3.26Å; I246-K250 PolarHBondContact O-N 2.85Å; D247-K250 WeakPolarHBondContact O-CB 3.4Å; D247-K250 PolarHBondContact O-N 3.35Å; D247-K250 IonicContact OD1-NZ 3.91Å; D247-K250 PolarHBondContact OD1-NZ 2.84Å; D247-K250 VanDerWaalsContact OD1-NZ 3.15Å; R248-K250 VanDerWaalsContact C-N 3.34Å; K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.42Å; K250-I253 PolarHBondContact O-N 2.71Å; K250-R254 PolarHBondContact O-N 3.08Å; K250-E323 WeakPolarHBondContact CE-O 3.48Å; K250-P327 HydrophobicContact CD-CG 3.48Å; K250-P327 VanDerWaalsContact CD-CG 3.48Å; K250-P327 HydrophobicContact CG-CG 3.85Å; K250-F328 HydrophobicContact CB-CE2 3.82Å; K250-F328 HydrophobicContact CB-CZ 3.84Å; K250-F328 HydrophobicContact CG-CE2 4.07Å; K250-F328 HydrophobicContact CG-CZ 4.49Å; K250-F328 WeakPolarHBondContact O-CE2 3.41Å; K250-F328 WeakPolarHBondContact O-CZ 2.97Å
251V74.8Confident77.5Confident34 Ų3458 Ų5821%0.20629%0.287CS..Hα-helixtrans-59.9-42.9177.8171.10000110.9D247 R248 R254 N255 L349D247-V251 WeakPolarHBondContact O-CG2 3.47Å; D247-V251 PolarHBondContact O-N 3.49Å; R248-V251 PolarHBondContact O-N 3.32Å; V251-R254 PolarHBondContact O-N 3.08Å; V251-N255 WeakPolarHBondContact O-CB 3.33Å; V251-N255 VanDerWaalsContact O-CG 3.22Å; V251-N255 PolarHBondContact O-N 3.16Å; V251-L349 HydrophobicContact CG2-CB 4.37Å; V251-L349 HydrophobicContact CG2-CD2 4.1Å
252T77.4Confident78.3Confident14 Ų1458.7 Ų58.79%0.08629%0.286CS..Hα-helixtrans-64.1-46.3-179.8-490000111R248 I249 K250 R254 N255 R256 V288 E291 A292R248-T252 WeakPolarHBondContact O-CB 3.29Å; R248-T252 PolarHBondContact O-N 3.33Å; R248-T252 PolarHBondContact O-OG1 3.39Å; I249-T252 PolarHBondContact O-N 2.82Å; K250-T252 VanDerWaalsContact C-N 3.29Å; K250-T252 PolarHBondContact O-N 3.42Å; T252-R254 VanDerWaalsContact C-N 3.32Å; T252-R254 PolarHBondContact O-N 2.93Å; T252-N255 PolarHBondContact O-N 3.35Å; T252-R256 WeakPolarHBondContact O-CB 3.47Å; T252-R256 PolarHBondContact O-N 3.47Å; T252-V288 HydrophobicContact CG2-CG1 3.93Å; T252-E291 HydrophobicContact CG2-CB 3.26Å; T252-A292 HydrophobicContact CG2-CB 4.26Å; T252-A292 WeakPolarHBondContact OG1-CB 3.43Å
253I78.9Confident78.9Confident9 Ų958.9 Ų58.95%0.04629%0.286CS..Hα-helixtrans-60-41.4176.2-73.2162.2000111.7I249 K250 G257 I258 V260 V288 V324 F328I249-I253 HydrophobicContact CG2-CD1 3.5Å; I249-I253 VanDerWaalsContact CG2-CD1 3.5Å; I249-I253 HydrophobicContact CG2-CG1 4.39Å; I249-I253 WeakPolarHBondContact O-CB 3.49Å; I249-I253 WeakPolarHBondContact O-CD1 3.26Å; I249-I253 VanDerWaalsContact O-CG1 3.24Å; I249-I253 WeakPolarHBondContact O-CG1 3.32Å; I249-I253 PolarHBondContact O-N 3.22Å; K250-I253 PolarHBondContact O-N 2.71Å; I253-G257 VanDerWaalsContact O-CA 3.25Å; I253-G257 WeakPolarHBondContact O-CA 3.36Å; I253-G257 PolarHBondContact O-N 2.85Å; I253-I258 HydrophobicContact CG1-CB 4.32Å; I253-I258 VanDerWaalsContact CG2-O 3.29Å; I253-I258 WeakPolarHBondContact CG2-O 3.45Å; I253-I258 PolarHBondContact O-N 3.32Å; I253-V260 HydrophobicContact CD1-CG2 3.34Å; I253-V260 HydrophobicContact CG1-CG2 3.83Å; I253-V288 HydrophobicContact CD1-CG2 4.45Å; I253-V288 HydrophobicContact CG1-CG2 4.15Å; I253-V324 HydrophobicContact CD1-CG1 3.02Å; I253-F328 HydrophobicContact CG2-CD2 4.27Å; I253-F328 HydrophobicContact CG2-CE2 4.23Å
254R71.6Confident79.4Confident111 Ų11154.2 Ų54.242%0.41927%0.265SS..Hα-helixtrans-64.9-46.9176.1179.3175.9174.5146.4-1.5112.3K250 V251 T252 R256 F328 L349K250-R254 PolarHBondContact O-N 3.08Å; V251-R254 PolarHBondContact O-N 3.08Å; T252-R254 VanDerWaalsContact C-N 3.32Å; T252-R254 PolarHBondContact O-N 2.93Å; R254-R256 PolarHBondContact O-N 2.83Å; R254-F328 HydrophobicContact CB-CD1 4.48Å; R254-F328 HydrophobicContact CB-CE1 3.67Å; R254-F328 HydrophobicContact CB-CZ 3.88Å; R254-F328 HydrophobicContact CG-CE1 4.14Å; R254-L349 HydrophobicContact CB-CD1 4.44Å; R254-L349 HydrophobicContact CG-CD1 4.49Å
255N68Low79.9Confident122 Ų12252.7 Ų52.765%0.65226%0.261SS*.Hα-helixtrans-67.1-27.8-175.1-71.5-10.4000111.8V251 T252V251-N255 WeakPolarHBondContact O-CB 3.33Å; V251-N255 VanDerWaalsContact O-CG 3.22Å; V251-N255 PolarHBondContact O-N 3.16Å; T252-N255 PolarHBondContact O-N 3.35Å
256R74Confident80.2Confident162 Ų16258.4 Ų58.461%0.61129%0.291SS*.Hα-helixtrans-112.8-12.7-172.7-67.6-100.1-167.6161.8-12114.4T252 R254 I258 E291T252-R256 WeakPolarHBondContact O-CB 3.47Å; T252-R256 PolarHBondContact O-N 3.47Å; R254-R256 PolarHBondContact O-N 2.83Å; R256-I258 HydrophobicContact CB-CD1 3.82Å; R256-I258 HydrophobicContact CB-CG1 3.88Å; R256-E291 VanDerWaalsContact CB-OE2 3.28Å; R256-E291 WeakPolarHBondContact CB-OE2 3.37Å; R256-E291 WeakPolarHBondContact CD-OE1 3.42Å; R256-E291 WeakPolarHBondContact CD-OE2 3.24Å; R256-E291 WeakPolarHBondContact CG-OE2 3.49Å; R256-E291 IonicContact CZ-OE1 3.66Å; R256-E291 IonicContact NE-OE1 3.96Å; R256-E291 PolarHBondContact NE-OE1 3.22Å; R256-E291 IonicContact NE-OE2 3.84Å; R256-E291 IonicContact NH1-OE1 3.21Å; R256-E291 PolarHBondContact NH1-OE1 3.36Å
257G75Confident80.3Confident68 Ų6862.7 Ų62.770%0.70131%0.308SS*.THydrogen-bonded Turntrans6938.4-178.600000113.7I253I253-G257 VanDerWaalsContact O-CA 3.25Å; I253-G257 WeakPolarHBondContact O-CA 3.36Å; I253-G257 PolarHBondContact O-N 2.85Å
258I80.4Confident80.8Confident27 Ų2759.4 Ų59.414%0.13829%0.29CS..  trans-85.4124.4-174.1-62.8164.8000111.6I253 R256 V260 F263 V288 E291I253-I258 HydrophobicContact CG1-CB 4.32Å; I253-I258 VanDerWaalsContact CG2-O 3.29Å; I253-I258 WeakPolarHBondContact CG2-O 3.45Å; I253-I258 PolarHBondContact O-N 3.32Å; R256-I258 HydrophobicContact CB-CD1 3.82Å; R256-I258 HydrophobicContact CB-CG1 3.88Å; I258-V260 HydrophobicContact CG2-CG2 4.27Å; I258-V260 PolarHBondContact O-N 3.35Å; I258-F263 HydrophobicContact CG2-CE2 3.95Å; I258-V288 HydrophobicContact CG2-CG2 4.46Å; I258-E291 WeakPolarHBondContact CD1-OE2 3.34Å
259R82.1Confident81.1Confident159 Ų15966.6 Ų66.660%0.632%0.323SS*.  trans-89.392.8172.6-171.7166.2177.7-164.15111.1M261 D262 F263R259-M261 VanDerWaalsContact C-N 3.29Å; R259-M261 PolarHBondContact O-N 3.02Å; R259-D262 WeakPolarHBondContact CD-OD1 3.12Å; R259-D262 VanDerWaalsContact CD-OD2 3.24Å; R259-D262 WeakPolarHBondContact CD-OD2 3.3Å; R259-D262 IonicContact CZ-OD1 3.45Å; R259-D262 IonicContact NE-OD1 3.53Å; R259-D262 PolarHBondContact NE-OD1 3.13Å; R259-D262 IonicContact NE-OD2 3.14Å; R259-D262 IonicContact NH1-OD1 3.72Å; R259-D262 IonicContact NH1-OD2 3.68Å; R259-D262 PolarHBondContact O-N 2.79Å; R259-F263 WeakPolarHBondContact O-CD2 3.31Å
260V84.9Confident81.2Confident0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-61.9-35.4-174.3177.60000112.9I253 I258 D262 F263 F264 V288 F320 V324I253-V260 HydrophobicContact CD1-CG2 3.34Å; I253-V260 HydrophobicContact CG1-CG2 3.83Å; I258-V260 HydrophobicContact CG2-CG2 4.27Å; I258-V260 PolarHBondContact O-N 3.35Å; V260-D262 VanDerWaalsContact C-N 3.26Å; V260-D262 PolarHBondContact O-N 2.77Å; V260-F263 PolarHBondContact O-N 3.46Å; V260-F264 HydrophobicContact CG1-CD2 4.05Å; V260-F264 HydrophobicContact CG1-CE2 3.59Å; V260-F264 WeakPolarHBondContact O-CD2 3.4Å; V260-V288 HydrophobicContact CG2-CG2 4.02Å; V260-F320 HydrophobicContact CG1-CE1 3.86Å; V260-V324 HydrophobicContact CG2-CG1 4.44Å
261M85.1Confident81.4Confident39 Ų3981.1 Ų81.119%0.19239%0.386CS..Hα-helixtrans-53.1-39.5178.2-86.3-68.3-15200114.1R259 F263 F264 V265 Y317 R318 C321R259-M261 VanDerWaalsContact C-N 3.29Å; R259-M261 PolarHBondContact O-N 3.02Å; M261-F263 PolarHBondContact O-N 2.97Å; M261-F264 PolarHBondContact O-N 3.24Å; M261-F264 VanDerWaalsContact O-N 3.11Å; M261-V265 WeakPolarHBondContact O-CG2 3.2Å; M261-V265 PolarHBondContact O-N 3.01Å; M261-Y317 HydrophobicContact SD-CE2 4.28Å; M261-R318 HydrophobicContact CE-CG 4.22Å; M261-C321 HydrophobicContact CE-CB 3.43Å; M261-C321 VanDerWaalsContact CE-CB 3.43Å; M261-C321 HydrophobicContact CG-CB 3.69Å; M261-C321 HydrophobicContact SD-CB 3.26Å; M261-C321 WeakPolarHBondContact SD-CB 3.49Å
262D85.6Confident81.7Confident74 Ų7485.4 Ų85.440%0.39640%0.403SS..Hα-helixtrans-64.3-32.5-173-65.7-8000111.3R259 V260 F264R259-D262 WeakPolarHBondContact CD-OD1 3.12Å; R259-D262 VanDerWaalsContact CD-OD2 3.24Å; R259-D262 WeakPolarHBondContact CD-OD2 3.3Å; R259-D262 IonicContact CZ-OD1 3.45Å; R259-D262 IonicContact NE-OD1 3.53Å; R259-D262 PolarHBondContact NE-OD1 3.13Å; R259-D262 IonicContact NE-OD2 3.14Å; R259-D262 IonicContact NH1-OD1 3.72Å; R259-D262 IonicContact NH1-OD2 3.68Å; R259-D262 PolarHBondContact O-N 2.79Å; V260-D262 VanDerWaalsContact C-N 3.26Å; V260-D262 PolarHBondContact O-N 2.77Å; D262-F264 VanDerWaalsContact C-N 3.32Å; D262-F264 PolarHBondContact O-N 3.37Å
263F87.7Confident82.1Confident74 Ų7487 Ų8733%0.32541%0.412SS..Hα-helixtrans-71.9-23.6178.2-62.6-89.9000113.8I258 R259 V260 M261 Y267 A283 S287I258-F263 HydrophobicContact CG2-CE2 3.95Å; R259-F263 WeakPolarHBondContact O-CD2 3.31Å; V260-F263 PolarHBondContact O-N 3.46Å; M261-F263 PolarHBondContact O-N 2.97Å; F263-Y267 VanDerWaalsContact O-CD2 3.31Å; F263-Y267 WeakPolarHBondContact O-CD2 3.42Å; F263-A283 HydrophobicContact CB-CB 4.38Å; F263-S287 VanDerWaalsContact CD2-CB 3.5Å
264F88.4Confident82.5Confident0 Ų088.1 Ų88.10%042%0.417CS..Hα-helixtrans-88.5-31.7178-73.9-80.5000112.6V260 M261 D262 D266 Y267 D268 V275 F280 A283 Y317 F320V260-F264 HydrophobicContact CG1-CD2 4.05Å; V260-F264 HydrophobicContact CG1-CE2 3.59Å; V260-F264 WeakPolarHBondContact O-CD2 3.4Å; M261-F264 PolarHBondContact O-N 3.24Å; M261-F264 VanDerWaalsContact O-N 3.11Å; D262-F264 VanDerWaalsContact C-N 3.32Å; D262-F264 PolarHBondContact O-N 3.37Å; F264-D266 PolarHBondContact O-N 3.03Å; F264-Y267 PolarHBondContact O-N 3.36Å; F264-Y267 VanDerWaalsContact O-N 3.13Å; F264-D268 PolarHBondContact O-N 2.89Å; F264-V275 HydrophobicContact CD1-CG2 4.24Å; F264-V275 HydrophobicContact CE1-CG2 4.43Å; F264-F280 HydrophobicContact CE1-CB 4.38Å; F264-F280 AromaticContact CE1-CD2 3.43Å; F264-F280 HydrophobicContact CE1-CD2 3.43Å; F264-F280 VanDerWaalsContact CE1-CD2 3.43Å; F264-F280 AromaticContact CE1-CE2 3.97Å; F264-F280 HydrophobicContact CE1-CE2 3.97Å; F264-F280 HydrophobicContact CE1-CG 4.14Å; F264-F280 AromaticContact CZ-CD2 3.78Å; F264-F280 HydrophobicContact CZ-CD2 3.78Å; F264-F280 AromaticContact CZ-CE2 3.85Å; F264-F280 HydrophobicContact CZ-CE2 3.85Å; F264-A283 HydrophobicContact CD1-CB 3.73Å; F264-A283 HydrophobicContact CD2-CB 4.4Å; F264-A283 HydrophobicContact CE1-CB 3.6Å; F264-A283 HydrophobicContact CE2-CB 4.26Å; F264-A283 HydrophobicContact CG-CB 4.16Å; F264-A283 HydrophobicContact CZ-CB 3.88Å; F264-Y317 HydrophobicContact CB-CD2 3.2Å; F264-Y317 HydrophobicContact CB-CE2 3.45Å; F264-Y317 VanDerWaalsContact CB-CE2 3.45Å; F264-Y317 HydrophobicContact CB-CG 3.81Å; F264-Y317 AromaticContact CD1-CD2 3.91Å; F264-Y317 HydrophobicContact CD1-CD2 3.91Å; F264-Y317 AromaticContact CD1-CG 3.73Å; F264-Y317 HydrophobicContact CD1-CG 3.73Å; F264-Y317 HydrophobicContact CD2-CD2 4.19Å; F264-Y317 HydrophobicContact CE1-CG 4.48Å; F264-Y317 AromaticContact CG-CD2 3.53Å; F264-Y317 HydrophobicContact CG-CD2 3.53Å; F264-Y317 HydrophobicContact CG-CE2 4.28Å; F264-Y317 AromaticContact CG-CG 3.87Å; F264-Y317 HydrophobicContact CG-CG 3.87Å; F264-F320 AromaticContact CE2-CD1 3.91Å; F264-F320 HydrophobicContact CE2-CD1 3.91Å; F264-F320 AromaticContact CE2-CE1 3.85Å; F264-F320 HydrophobicContact CE2-CE1 3.85Å; F264-F320 AromaticContact CZ-CD1 3.93Å; F264-F320 HydrophobicContact CZ-CD1 3.93Å; F264-F320 AromaticContact CZ-CE1 3.97Å; F264-F320 HydrophobicContact CZ-CE1 3.97Å
265V85.4Confident83.4Confident68 Ų6882.9 Ų82.941%0.41240%0.397SS..Hα-helixtrans-60.5-30.6179173.10000111.8M261 Y267M261-V265 WeakPolarHBondContact O-CG2 3.2Å; M261-V265 PolarHBondContact O-N 3.01Å; V265-Y267 VanDerWaalsContact C-N 3.31Å; V265-Y267 PolarHBondContact O-N 3.25Å
266D86.7Confident84.4Confident120 Ų12079.4 Ų79.464%0.64238%0.38SS*.THydrogen-bonded Turntrans-66.3-29.1177.8-71.3-20.9000113.8F264F264-D266 PolarHBondContact O-N 3.03Å
267Y85.6Confident85.2Confident91 Ų9174.1 Ų74.136%0.35736%0.362SS..THydrogen-bonded Turntrans-86-35.4-179.9-69.7-72.1000112.8F263 F264 V265 K269 Q279 C282 A283F263-Y267 VanDerWaalsContact O-CD2 3.31Å; F263-Y267 WeakPolarHBondContact O-CD2 3.42Å; F264-Y267 PolarHBondContact O-N 3.36Å; F264-Y267 VanDerWaalsContact O-N 3.13Å; V265-Y267 VanDerWaalsContact C-N 3.31Å; V265-Y267 PolarHBondContact O-N 3.25Å; Y267-K269 PolarHBondContact O-N 3.48Å; Y267-Q279 HydrophobicContact CD1-CB 3.85Å; Y267-Q279 HydrophobicContact CD1-CG 3.5Å; Y267-Q279 VanDerWaalsContact CD1-CG 3.5Å; Y267-Q279 HydrophobicContact CD2-CB 4.4Å; Y267-Q279 HydrophobicContact CE1-CB 4.35Å; Y267-Q279 HydrophobicContact CE1-CG 4.06Å; Y267-Q279 HydrophobicContact CG-CB 3.85Å; Y267-Q279 HydrophobicContact CG-CG 3.97Å; Y267-C282 WeakPolarHBondContact OH-CB 3.5Å; Y267-A283 HydrophobicContact CD2-CB 4.11Å; Y267-A283 HydrophobicContact CE2-CB 3.85Å
268D87.3Confident85.9Confident9 Ų976.8 Ų76.85%0.04836%0.36CS..  trans-98.969.6179.8-174.615.6000112.1F264 L270 R271 H272 D273 V275 Y317F264-D268 PolarHBondContact O-N 2.89Å; D268-L270 PolarHBondContact O-N 2.87Å; D268-L270 VanDerWaalsContact O-N 3.09Å; D268-R271 PolarHBondContact O-N 3.17Å; D268-R271 PolarHBondContact OD1-N 3.43Å; D268-R271 WeakPolarHBondContact OD2-CA 3.26Å; D268-H272 VanDerWaalsContact CG-N 3.26Å; D268-H272 PolarHBondContact OD1-N 3.18Å; D268-H272 IonicContact OD1-ND1 3.01Å; D268-H272 PolarHBondContact OD2-N 3.02Å; D268-D273 PolarHBondContact OD2-N 3.45Å; D268-V275 HydrophobicContact CB-CG1 4.11Å; D268-Y317 HydrophobicContact CB-CE1 4.05Å
269K83.9Confident86.4Confident188 Ų18878.1 Ų78.182%0.81737%0.366SS*.THydrogen-bonded Turntrans-57.2-25.5179.5-64.2-177.4-179.5179.90113.8Y267Y267-K269 PolarHBondContact O-N 3.48Å
270L83.9Confident86.8Confident134 Ų13470.6 Ų70.670%0.70234%0.338SS*.THydrogen-bonded Turntrans-98-1.9-176.9-70.8172.9000112.9D268 H272D268-L270 PolarHBondContact O-N 2.87Å; D268-L270 VanDerWaalsContact O-N 3.09Å; L270-H272 VanDerWaalsContact C-N 3.33Å; L270-H272 WeakPolarHBondContact CB-CE1 3.5Å; L270-H272 WeakPolarHBondContact CB-ND1 3.47Å; L270-H272 VanDerWaalsContact CD1-CE1 3.41Å; L270-H272 WeakPolarHBondContact CD1-CE1 3.41Å; L270-H272 PolarHBondContact O-N 2.78Å
271R82.6Confident87.1Confident200 Ų20071.7 Ų71.776%0.75535%0.345SS*.  trans54.944.8179.3-57.1-177.3177.6-166.7-1.4112.9D268 D273D268-R271 PolarHBondContact O-N 3.17Å; D268-R271 PolarHBondContact OD1-N 3.43Å; D268-R271 WeakPolarHBondContact OD2-CA 3.26Å; R271-D273 PolarHBondContact O-N 2.96Å
272H81Confident87.2Confident124 Ų12472.7 Ų72.757%0.57436%0.355SS*.  trans-71.4-6.8170.2-60110000113.6D268 L270 E274D268-H272 VanDerWaalsContact CG-N 3.26Å; D268-H272 PolarHBondContact OD1-N 3.18Å; D268-H272 IonicContact OD1-ND1 3.01Å; D268-H272 PolarHBondContact OD2-N 3.02Å; L270-H272 VanDerWaalsContact C-N 3.33Å; L270-H272 WeakPolarHBondContact CB-CE1 3.5Å; L270-H272 WeakPolarHBondContact CB-ND1 3.47Å; L270-H272 VanDerWaalsContact CD1-CE1 3.41Å; L270-H272 WeakPolarHBondContact CD1-CE1 3.41Å; L270-H272 PolarHBondContact O-N 2.78Å; H272-E274 HydrophobicContact CB-CB 4.43Å; H272-E274 PolarHBondContact O-N 3.45Å
273D85.1Confident87.4Confident48 Ų4869.2 Ų69.226%0.25734%0.336SS..SBendtrans64.311.6-172.6-62.9-27.6000113.7D268 R271 Y317 R318D268-D273 PolarHBondContact OD2-N 3.45Å; R271-D273 PolarHBondContact O-N 2.96Å; D273-Y317 WeakPolarHBondContact O-CD1 3.44Å; D273-R318 HydrophobicContact CB-CB 4.2Å; D273-R318 WeakPolarHBondContact OD1-CD 3.38Å; D273-R318 IonicContact OD1-CZ 3.65Å; D273-R318 IonicContact OD1-NE 3.79Å; D273-R318 IonicContact OD1-NH1 2.81Å; D273-R318 PolarHBondContact OD1-NH1 3.23Å; D273-R318 VanDerWaalsContact OD2-CD 3.32Å; D273-R318 WeakPolarHBondContact OD2-CD 2.83Å; D273-R318 IonicContact OD2-CZ 3.3Å; D273-R318 IonicContact OD2-NE 3.15Å; D273-R318 IonicContact OD2-NH1 3.56Å; D273-R318 PolarHBondContact OD2-NH1 3.35Å
274E88.5Confident87.5Confident33 Ų3365.7 Ų65.715%0.15432%0.321CS..  trans-129.8133.9-172.8-78.4-170.716800110.5H272 S308 T310 N311 F314 I315 N316H272-E274 HydrophobicContact CB-CB 4.43Å; H272-E274 PolarHBondContact O-N 3.45Å; E274-S308 VanDerWaalsContact OE1-CB 3.31Å; E274-S308 WeakPolarHBondContact OE1-CB 3.38Å; E274-S308 PolarHBondContact OE1-OG 3.35Å; E274-T310 PolarHBondContact OE1-OG1 3.26Å; E274-N311 PolarHBondContact OE2-ND2 3.27Å; E274-F314 HydrophobicContact CB-CB 3.98Å; E274-F314 HydrophobicContact CB-CD1 4.09Å; E274-F314 HydrophobicContact CB-CG 4.28Å; E274-F314 HydrophobicContact CG-CB 4.26Å; E274-I315 WeakPolarHBondContact CA-O 3.43Å; E274-N316 WeakPolarHBondContact CG-OD1 3.37Å
275V89.7Confident87.4Confident0 Ų069.1 Ų69.10%034%0.339CS..EExtended strand (participates in β ladder)trans-128.2153.3175.3-67.80000110.7F264 D268 Q279 F280 F314 I315 Y317F264-V275 HydrophobicContact CD1-CG2 4.24Å; F264-V275 HydrophobicContact CE1-CG2 4.43Å; D268-V275 HydrophobicContact CB-CG1 4.11Å; V275-Q279 HydrophobicContact CB-CB 4.06Å; V275-F280 HydrophobicContact CG2-CB 4Å; V275-F280 HydrophobicContact CG2-CD2 4.45Å; V275-F314 CarbonylContact O-C 3.57Å; V275-F314 WeakPolarHBondContact O-CA 3.46Å; V275-I315 HydrophobicContact CG2-CB 4.48Å; V275-I315 PolarHBondContact N-O 2.91Å; V275-I315 PolarHBondContact O-N 2.67Å; V275-Y317 HydrophobicContact CB-CD1 4.36Å; V275-Y317 HydrophobicContact CG1-CD1 3.65Å; V275-Y317 HydrophobicContact CG1-CE1 3.99Å; V275-Y317 HydrophobicContact CG1-CG 4.39Å; V275-Y317 HydrophobicContact CG2-CD1 4.04Å; V275-Y317 HydrophobicContact CG2-CG 4.32Å
276T89.7Confident87.4Confident49 Ų4969.8 Ų69.830%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-68.2157.1174.261.60000111.4N278 Q279 F280 F314T276-N278 VanDerWaalsContact C-N 3.28Å; T276-N278 PolarHBondContact O-N 3.1Å; T276-Q279 WeakPolarHBondContact O-CA 3.28Å; T276-Q279 WeakPolarHBondContact O-CB 3.39Å; T276-Q279 PolarHBondContact O-N 3.38Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.31Å; T276-Q279 PolarHBondContact OG1-N 3Å; T276-Q279 PolarHBondContact OG1-OE1 3.15Å; T276-F280 PolarHBondContact O-N 3.3Å; T276-F314 HydrophobicContact CG2-CD1 4.36Å; T276-F314 HydrophobicContact CG2-CE1 4.08Å
277E90.7Very high87.2Confident51 Ų5164.6 Ų64.624%0.23832%0.319CS..Hα-helixtrans-55.2-39.8-179.8-176.5173.7157.700114F280 T281 Q300 A303 R307 I315E277-F280 PolarHBondContact O-N 3.27Å; E277-T281 WeakPolarHBondContact O-CB 3.2Å; E277-T281 PolarHBondContact O-N 3.49Å; E277-T281 PolarHBondContact O-OG1 3.29Å; E277-Q300 PolarHBondContact OE1-NE2 3.41Å; E277-Q300 PolarHBondContact OE1-OE1 3.35Å; E277-A303 HydrophobicContact CG-CB 4.42Å; E277-R307 IonicContact OE2-CZ 3.22Å; E277-R307 IonicContact OE2-NH2 2.73Å; E277-R307 PolarHBondContact OE2-NH2 3.4Å; E277-I315 HydrophobicContact CB-CD1 3.99Å; E277-I315 HydrophobicContact CG-CD1 4.12Å
278N89.5Confident87.1Confident124 Ų12460.2 Ų60.266%0.66330%0.302SS*.Hα-helixtrans-65.5-41.9175-76.9-11.2000111.7T276 T281 C282T276-N278 VanDerWaalsContact C-N 3.28Å; T276-N278 PolarHBondContact O-N 3.1Å; N278-T281 PolarHBondContact O-N 3.03Å; N278-C282 WeakPolarHBondContact O-CB 3.44Å; N278-C282 PolarHBondContact O-N 3.37Å; N278-C282 PolarHBondContact O-SG 3.42Å
279Q90.1Very high86.6Confident56 Ų5660.2 Ų60.226%0.26231%0.305SS..Hα-helixtrans-64.9-40.8177.1-69.6169.1-32.300111.3Y267 V275 T276 C282 A283Y267-Q279 HydrophobicContact CD1-CB 3.85Å; Y267-Q279 HydrophobicContact CD1-CG 3.5Å; Y267-Q279 VanDerWaalsContact CD1-CG 3.5Å; Y267-Q279 HydrophobicContact CD2-CB 4.4Å; Y267-Q279 HydrophobicContact CE1-CB 4.35Å; Y267-Q279 HydrophobicContact CE1-CG 4.06Å; Y267-Q279 HydrophobicContact CG-CB 3.85Å; Y267-Q279 HydrophobicContact CG-CG 3.97Å; V275-Q279 HydrophobicContact CB-CB 4.06Å; T276-Q279 WeakPolarHBondContact O-CA 3.28Å; T276-Q279 WeakPolarHBondContact O-CB 3.39Å; T276-Q279 PolarHBondContact O-N 3.38Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.31Å; T276-Q279 PolarHBondContact OG1-N 3Å; T276-Q279 PolarHBondContact OG1-OE1 3.15Å; Q279-C282 PolarHBondContact O-N 3.37Å; Q279-A283 VanDerWaalsContact O-CB 3.29Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.45Å
280F91.1Very high86.2Confident0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-61.1-47.4174.9-178-92.3000112F264 V275 T276 E277 C282 A283 L284 L302 A303 Y306 I315 F320F264-F280 HydrophobicContact CE1-CB 4.38Å; F264-F280 AromaticContact CE1-CD2 3.43Å; F264-F280 HydrophobicContact CE1-CD2 3.43Å; F264-F280 VanDerWaalsContact CE1-CD2 3.43Å; F264-F280 AromaticContact CE1-CE2 3.97Å; F264-F280 HydrophobicContact CE1-CE2 3.97Å; F264-F280 HydrophobicContact CE1-CG 4.14Å; F264-F280 AromaticContact CZ-CD2 3.78Å; F264-F280 HydrophobicContact CZ-CD2 3.78Å; F264-F280 AromaticContact CZ-CE2 3.85Å; F264-F280 HydrophobicContact CZ-CE2 3.85Å; V275-F280 HydrophobicContact CG2-CB 4Å; V275-F280 HydrophobicContact CG2-CD2 4.45Å; T276-F280 PolarHBondContact O-N 3.3Å; E277-F280 PolarHBondContact O-N 3.27Å; F280-C282 PolarHBondContact O-N 2.9Å; F280-A283 PolarHBondContact O-N 2.96Å; F280-L284 HydrophobicContact CE1-CD2 4.16Å; F280-L284 HydrophobicContact CZ-CD2 4.43Å; F280-L284 WeakPolarHBondContact O-CB 3.48Å; F280-L284 PolarHBondContact O-N 3.1Å; F280-L302 HydrophobicContact CE1-CB 4.14Å; F280-L302 HydrophobicContact CZ-CB 4.28Å; F280-A303 HydrophobicContact CD1-CB 3.93Å; F280-A303 HydrophobicContact CE1-CB 4.1Å; F280-Y306 HydrophobicContact CZ-CD2 4.41Å; F280-I315 HydrophobicContact CB-CB 4.43Å; F280-I315 HydrophobicContact CB-CD1 3.79Å; F280-I315 HydrophobicContact CB-CG2 4.45Å; F280-I315 HydrophobicContact CD1-CD1 4.11Å; F280-I315 HydrophobicContact CD2-CB 4.37Å; F280-I315 HydrophobicContact CD2-CG2 3.58Å; F280-I315 HydrophobicContact CE2-CG2 3.93Å; F280-I315 HydrophobicContact CG-CB 4.48Å; F280-I315 HydrophobicContact CG-CD1 3.92Å; F280-I315 HydrophobicContact CG-CG2 3.97Å; F280-F320 HydrophobicContact CE2-CB 4.24Å; F280-F320 AromaticContact CE2-CD1 3.9Å; F280-F320 HydrophobicContact CE2-CD1 3.9Å; F280-F320 HydrophobicContact CE2-CE1 4.48Å; F280-F320 HydrophobicContact CE2-CG 4.06Å; F280-F320 HydrophobicContact CZ-CD1 4.24Å; F280-F320 HydrophobicContact CZ-CG 4.23Å
281T90.5Very high85.8Confident23 Ų2357.4 Ų57.414%0.14129%0.288CS..Hα-helixtrans-60.7-45.8178.2-58.40000111.2E277 N278 L285 V299E277-T281 WeakPolarHBondContact O-CB 3.2Å; E277-T281 PolarHBondContact O-N 3.49Å; E277-T281 PolarHBondContact O-OG1 3.29Å; N278-T281 PolarHBondContact O-N 3.03Å; T281-L285 HydrophobicContact CG2-CD1 3.72Å; T281-L285 HydrophobicContact CG2-CG 4.49Å; T281-L285 VanDerWaalsContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CB 3.42Å; T281-L285 VanDerWaalsContact O-CG 3.31Å; T281-L285 WeakPolarHBondContact O-CG 3.46Å; T281-L285 PolarHBondContact O-N 3.29Å; T281-V299 HydrophobicContact CG2-CG1 3.89Å
282C88.4Confident85.3Confident60 Ų6048 Ų4841%0.40525%0.253SS..Hα-helixtrans-64.4-44.3177.1-71.50000112.4Y267 N278 Q279 F280 S286Y267-C282 WeakPolarHBondContact OH-CB 3.5Å; N278-C282 WeakPolarHBondContact O-CB 3.44Å; N278-C282 PolarHBondContact O-N 3.37Å; N278-C282 PolarHBondContact O-SG 3.42Å; Q279-C282 PolarHBondContact O-N 3.37Å; F280-C282 PolarHBondContact O-N 2.9Å; C282-S286 WeakPolarHBondContact O-CB 3.38Å; C282-S286 PolarHBondContact O-N 3.39Å; C282-S286 PolarHBondContact O-OG 3.41Å
283A88.9Confident85.1Confident1 Ų149.5 Ų49.51%0.00826%0.257CS..Hα-helixtrans-63.7-43.4179.100000112.1F263 F264 Y267 Q279 F280 S287F263-A283 HydrophobicContact CB-CB 4.38Å; F264-A283 HydrophobicContact CD1-CB 3.73Å; F264-A283 HydrophobicContact CD2-CB 4.4Å; F264-A283 HydrophobicContact CE1-CB 3.6Å; F264-A283 HydrophobicContact CE2-CB 4.26Å; F264-A283 HydrophobicContact CG-CB 4.16Å; F264-A283 HydrophobicContact CZ-CB 3.88Å; Y267-A283 HydrophobicContact CD2-CB 4.11Å; Y267-A283 HydrophobicContact CE2-CB 3.85Å; Q279-A283 VanDerWaalsContact O-CB 3.29Å; Q279-A283 WeakPolarHBondContact O-CB 3.38Å; Q279-A283 PolarHBondContact O-N 3.45Å; F280-A283 PolarHBondContact O-N 2.96Å; A283-S287 WeakPolarHBondContact O-CB 3.44Å; A283-S287 PolarHBondContact O-N 2.93Å; A283-S287 PolarHBondContact O-OG 2.96Å
284L89.7Confident84.8Confident0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-71.4-43-179.6-171.761.6000112.6I249 F280 S286 S287 V288 G289 L294 V299 L302 F320I249-L284 HydrophobicContact CD1-CD1 4.31Å; F280-L284 HydrophobicContact CE1-CD2 4.16Å; F280-L284 HydrophobicContact CZ-CD2 4.43Å; F280-L284 WeakPolarHBondContact O-CB 3.48Å; F280-L284 PolarHBondContact O-N 3.1Å; L284-S286 VanDerWaalsContact C-N 3.29Å; L284-S286 PolarHBondContact O-N 3.27Å; L284-S287 WeakPolarHBondContact CA-OG 3.43Å; L284-S287 PolarHBondContact O-N 3.47Å; L284-S287 PolarHBondContact O-OG 3.35Å; L284-V288 PolarHBondContact O-N 3.49Å; L284-G289 PolarHBondContact O-N 2.89Å; L284-L294 HydrophobicContact CG-CD1 4.32Å; L284-V299 HydrophobicContact CD2-CG1 4.12Å; L284-V299 HydrophobicContact CD2-CG2 4.12Å; L284-L302 HydrophobicContact CD2-CD1 3.65Å; L284-F320 HydrophobicContact CD1-CE1 3.86Å; L284-F320 HydrophobicContact CD1-CZ 3.54Å; L284-F320 HydrophobicContact CD2-CZ 4.47Å
285L87.4Confident84.5Confident73 Ų7348.5 Ų48.538%0.38226%0.257SS..Iπ-helixtrans-65.4-34.3176.2-75.4170000112.2T281 G289 V299T281-L285 HydrophobicContact CG2-CD1 3.72Å; T281-L285 HydrophobicContact CG2-CG 4.49Å; T281-L285 VanDerWaalsContact O-CB 3.29Å; T281-L285 WeakPolarHBondContact O-CB 3.42Å; T281-L285 VanDerWaalsContact O-CG 3.31Å; T281-L285 WeakPolarHBondContact O-CG 3.46Å; T281-L285 PolarHBondContact O-N 3.29Å; L285-G289 WeakPolarHBondContact O-CA 3.09Å; L285-G289 PolarHBondContact O-N 3.36Å; L285-V299 HydrophobicContact CD2-CG2 4.12Å; L285-V299 HydrophobicContact CG-CG2 4.34Å
286S84.7Confident84.3Confident82 Ų8258.2 Ų58.257%0.57329%0.293SS*.Iπ-helixtrans-73.5-37177.7-58.60000112.7C282 L284C282-S286 WeakPolarHBondContact O-CB 3.38Å; C282-S286 PolarHBondContact O-N 3.39Å; C282-S286 PolarHBondContact O-OG 3.41Å; L284-S286 VanDerWaalsContact C-N 3.29Å; L284-S286 PolarHBondContact O-N 3.27Å
287S83.3Confident84Confident10 Ų1060.5 Ų60.57%0.0730%0.301CS..Iπ-helixtrans-80.5-52.4-17853.60000112.8F263 A283 L284F263-S287 VanDerWaalsContact CD2-CB 3.5Å; A283-S287 WeakPolarHBondContact O-CB 3.44Å; A283-S287 PolarHBondContact O-N 2.93Å; A283-S287 PolarHBondContact O-OG 2.96Å; L284-S287 WeakPolarHBondContact CA-OG 3.43Å; L284-S287 PolarHBondContact O-N 3.47Å; L284-S287 PolarHBondContact O-OG 3.35Å
288V83.3Confident83.7Confident0 Ų058.7 Ų58.70%029%0.292CS..Iπ-helixtrans-126.3-9.6-167.3-173.50000112.6I249 T252 I253 I258 V260 L284 K290 E291 A292 L294I249-V288 HydrophobicContact CG1-CG1 4.23Å; I249-V288 HydrophobicContact CG2-CG1 4.33Å; T252-V288 HydrophobicContact CG2-CG1 3.93Å; I253-V288 HydrophobicContact CD1-CG2 4.45Å; I253-V288 HydrophobicContact CG1-CG2 4.15Å; I258-V288 HydrophobicContact CG2-CG2 4.46Å; V260-V288 HydrophobicContact CG2-CG2 4.02Å; L284-V288 PolarHBondContact O-N 3.49Å; V288-K290 PolarHBondContact O-N 3.32Å; V288-E291 PolarHBondContact O-N 3.08Å; V288-E291 VanDerWaalsContact O-N 3.14Å; V288-A292 HydrophobicContact CG1-CB 3.52Å; V288-A292 WeakPolarHBondContact O-CB 3.44Å; V288-A292 PolarHBondContact O-N 2.89Å; V288-L294 HydrophobicContact CB-CD1 4.27Å; V288-L294 HydrophobicContact CG1-CD1 4.18Å
289G77.4Confident83.6Confident9 Ų952.8 Ų52.89%0.09326%0.261CS..Iπ-helixtrans-51.5-49.8-172.600000115.3L284 L285 K293 L294L284-G289 PolarHBondContact O-N 2.89Å; L285-G289 WeakPolarHBondContact O-CA 3.09Å; L285-G289 PolarHBondContact O-N 3.36Å; G289-K293 WeakPolarHBondContact O-CA 3.43Å; G289-K293 PolarHBondContact O-N 3.36Å; G289-L294 PolarHBondContact O-N 3.49Å; G289-L294 VanDerWaalsContact O-N 3.13Å
290K75.6Confident83.4Confident197 Ų19753 Ų5386%0.85726%0.262SS*.THydrogen-bonded Turntrans-70.8-36.5-179.7-69.6-176.9-179.5177.80113V288V288-K290 PolarHBondContact O-N 3.32Å
291E73.5Confident83.2Confident66 Ų6656 Ų5631%0.30828%0.276SS..THydrogen-bonded Turntrans-86.2-38.2-168.8-59.6-169.9165.400112.1T252 R256 I258 V288 K293T252-E291 HydrophobicContact CG2-CB 3.26Å; R256-E291 VanDerWaalsContact CB-OE2 3.28Å; R256-E291 WeakPolarHBondContact CB-OE2 3.37Å; R256-E291 WeakPolarHBondContact CD-OE1 3.42Å; R256-E291 WeakPolarHBondContact CD-OE2 3.24Å; R256-E291 WeakPolarHBondContact CG-OE2 3.49Å; R256-E291 IonicContact CZ-OE1 3.66Å; R256-E291 IonicContact NE-OE1 3.96Å; R256-E291 PolarHBondContact NE-OE1 3.22Å; R256-E291 IonicContact NE-OE2 3.84Å; R256-E291 IonicContact NH1-OE1 3.21Å; R256-E291 PolarHBondContact NH1-OE1 3.36Å; I258-E291 WeakPolarHBondContact CD1-OE2 3.34Å; V288-E291 PolarHBondContact O-N 3.08Å; V288-E291 VanDerWaalsContact O-N 3.14Å; E291-K293 VanDerWaalsContact C-N 3.28Å
292A73.6Confident83.1Confident3 Ų354.9 Ų54.93%0.02527%0.269CS..THydrogen-bonded Turntrans-83.7-3.8172.800000112.9R248 T252 V288 L294R248-A292 WeakPolarHBondContact CD-O 3.27Å; R248-A292 HydrophobicContact CG-CB 4.16Å; R248-A292 VanDerWaalsContact CZ-O 3.24Å; R248-A292 PolarHBondContact NE-O 3.09Å; T252-A292 HydrophobicContact CG2-CB 4.26Å; T252-A292 WeakPolarHBondContact OG1-CB 3.43Å; V288-A292 HydrophobicContact CG1-CB 3.52Å; V288-A292 WeakPolarHBondContact O-CB 3.44Å; V288-A292 PolarHBondContact O-N 2.89Å; A292-L294 VanDerWaalsContact C-N 3.27Å; A292-L294 HydrophobicContact CB-CD1 3.93Å; A292-L294 HydrophobicContact CB-CG 3.85Å; A292-L294 PolarHBondContact O-N 3.31Å
293K75.5Confident83Confident154 Ų15452 Ų5267%0.6725%0.25SS*.THydrogen-bonded Turntrans5049.2-172.9-59.8-179.8179.6179.40111.4G289 E291 S295G289-K293 WeakPolarHBondContact O-CA 3.43Å; G289-K293 PolarHBondContact O-N 3.36Å; E291-K293 VanDerWaalsContact C-N 3.28Å; K293-S295 PolarHBondContact O-N 3.16Å
294L80.2Confident82.9Confident15 Ų1556 Ų568%0.07927%0.272CS..  trans-71.6124.2179.5-74.5153.2000110I245 I249 L284 V288 G289 A292 E298 V299I245-L294 HydrophobicContact CG2-CD2 3.57Å; I249-L294 HydrophobicContact CD1-CD1 4.23Å; I249-L294 HydrophobicContact CD1-CD2 4.09Å; I249-L294 HydrophobicContact CG1-CD1 4.08Å; I249-L294 HydrophobicContact CG1-CD2 4.24Å; L284-L294 HydrophobicContact CG-CD1 4.32Å; V288-L294 HydrophobicContact CB-CD1 4.27Å; V288-L294 HydrophobicContact CG1-CD1 4.18Å; G289-L294 PolarHBondContact O-N 3.49Å; G289-L294 VanDerWaalsContact O-N 3.13Å; A292-L294 VanDerWaalsContact C-N 3.27Å; A292-L294 HydrophobicContact CB-CD1 3.93Å; A292-L294 HydrophobicContact CB-CG 3.85Å; A292-L294 PolarHBondContact O-N 3.31Å; L294-E298 VanDerWaalsContact CA-OE2 3.29Å; L294-E298 WeakPolarHBondContact CA-OE2 3.33Å; L294-E298 HydrophobicContact CD2-CB 4.24Å; L294-V299 HydrophobicContact CB-CG2 4.15Å
295S82.4Confident82.8Confident45 Ų4561.2 Ų61.232%0.31529%0.292SS..  trans-74.5156.8168.991.60000110.1K293 E297 E298 V299K293-S295 PolarHBondContact O-N 3.16Å; S295-E297 PolarHBondContact O-N 3.28Å; S295-E297 PolarHBondContact OG-N 3.09Å; S295-E298 PolarHBondContact N-OE2 3.38Å; S295-E298 PolarHBondContact O-N 3.36Å; S295-E298 WeakPolarHBondContact OG-CG 3.31Å; S295-E298 PolarHBondContact OG-N 3.08Å; S295-E298 VanDerWaalsContact OG-N 3.12Å; S295-V299 WeakPolarHBondContact O-CG2 3.31Å; S295-V299 PolarHBondContact O-N 3.21Å; S295-V299 VanDerWaalsContact O-N 3.13Å
296R83.7Confident82.8Confident204 Ų20457.9 Ų57.977%0.7727%0.274SS*.Hα-helixtrans-60.4-31.1175.9-173.4175.5177.2-176.7-1.8112Q300R296-Q300 PolarHBondContact O-N 2.99Å
297E83.7Confident82.9Confident97 Ų9759 Ų5945%0.45327%0.266SS..Hα-helixtrans-70.9-39.6178.3-61.5170.5169.800111.6P98 S295 V299 Q300 M301P98-E297 WeakPolarHBondContact CD-OE1 3.29Å; P98-E297 WeakPolarHBondContact CG-OE1 3.44Å; S295-E297 PolarHBondContact O-N 3.28Å; S295-E297 PolarHBondContact OG-N 3.09Å; E297-V299 VanDerWaalsContact C-N 3.34Å; E297-Q300 WeakPolarHBondContact O-CB 3.41Å; E297-Q300 PolarHBondContact O-N 3.14Å; E297-M301 WeakPolarHBondContact O-CG 3.29Å; E297-M301 PolarHBondContact O-N 3.18Å
298E85.9Confident82.9Confident14 Ų1459 Ų597%0.06527%0.265CS..Hα-helixtrans-64.1-40174.9-69.1174128.400111.7P240 I245 R248 L294 S295 Q300 M301 L302P240-E298 HydrophobicContact CG-CG 3.72Å; P240-E298 WeakPolarHBondContact CG-OE1 3.37Å; I245-E298 HydrophobicContact CD1-CB 3.88Å; I245-E298 HydrophobicContact CD1-CG 3.89Å; I245-E298 HydrophobicContact CG1-CB 4.44Å; I245-E298 HydrophobicContact CG1-CG 4.29Å; I245-E298 HydrophobicContact CG2-CB 4.38Å; R248-E298 IonicContact CZ-OE1 3.81Å; R248-E298 IonicContact CZ-OE2 2.87Å; R248-E298 IonicContact NH1-OE1 2.68Å; R248-E298 PolarHBondContact NH1-OE1 3.43Å; R248-E298 IonicContact NH1-OE2 3.82Å; R248-E298 PolarHBondContact NH1-OE2 3.44Å; R248-E298 IonicContact NH2-OE1 3.14Å; R248-E298 PolarHBondContact NH2-OE1 3.39Å; R248-E298 IonicContact NH2-OE2 3.81Å; R248-E298 PolarHBondContact NH2-OE2 2.69Å; L294-E298 VanDerWaalsContact CA-OE2 3.29Å; L294-E298 WeakPolarHBondContact CA-OE2 3.33Å; L294-E298 HydrophobicContact CD2-CB 4.24Å; S295-E298 PolarHBondContact N-OE2 3.38Å; S295-E298 PolarHBondContact O-N 3.36Å; S295-E298 WeakPolarHBondContact OG-CG 3.31Å; S295-E298 PolarHBondContact OG-N 3.08Å; S295-E298 VanDerWaalsContact OG-N 3.12Å; E298-Q300 VanDerWaalsContact C-N 3.33Å; E298-M301 HydrophobicContact CG-CE 4.32Å; E298-M301 PolarHBondContact O-N 2.77Å; E298-L302 PolarHBondContact O-N 3.39Å; E298-L302 VanDerWaalsContact O-N 3.15Å
299V86.9Confident82.8Confident0 Ų065.8 Ų65.80%031%0.307CS..Hα-helixtrans-65-39.2174.4177.40000111T281 L284 L285 L294 S295 E297 L302 A303T281-V299 HydrophobicContact CG2-CG1 3.89Å; L284-V299 HydrophobicContact CD2-CG1 4.12Å; L284-V299 HydrophobicContact CD2-CG2 4.12Å; L285-V299 HydrophobicContact CD2-CG2 4.12Å; L285-V299 HydrophobicContact CG-CG2 4.34Å; L294-V299 HydrophobicContact CB-CG2 4.15Å; S295-V299 WeakPolarHBondContact O-CG2 3.31Å; S295-V299 PolarHBondContact O-N 3.21Å; S295-V299 VanDerWaalsContact O-N 3.13Å; E297-V299 VanDerWaalsContact C-N 3.34Å; V299-L302 PolarHBondContact O-N 3.11Å; V299-A303 WeakPolarHBondContact O-CB 3.4Å; V299-A303 PolarHBondContact O-N 3.35Å
300Q86.1Confident82.9Confident60 Ų6070.3 Ų70.328%0.2833%0.333SS..Hα-helixtrans-64.8-39.6175.5-168.465.848.900112.2E277 R296 E297 E298 L302 A303 N304E277-Q300 PolarHBondContact OE1-NE2 3.41Å; E277-Q300 PolarHBondContact OE1-OE1 3.35Å; R296-Q300 PolarHBondContact O-N 2.99Å; E297-Q300 WeakPolarHBondContact O-CB 3.41Å; E297-Q300 PolarHBondContact O-N 3.14Å; E298-Q300 VanDerWaalsContact C-N 3.33Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.83Å; Q300-A303 PolarHBondContact O-N 2.9Å; Q300-N304 PolarHBondContact NE2-OD1 3.46Å; Q300-N304 WeakPolarHBondContact O-CB 3.32Å; Q300-N304 PolarHBondContact O-N 2.81Å; Q300-N304 PolarHBondContact O-ND2 2.77Å
301M86.2Confident83.1Confident62 Ų6264.5 Ų64.531%0.30531%0.312SS..Hα-helixtrans-60.7-42.3175.3-76.2-163.7-77.800111.5I239 P240 I245 E297 E298 N304 Y305I239-M301 HydrophobicContact CG2-CE 4.14Å; I239-M301 HydrophobicContact CG2-SD 4.09Å; P240-M301 HydrophobicContact CG-CE 4.37Å; I245-M301 HydrophobicContact CD1-CE 3.68Å; E297-M301 WeakPolarHBondContact O-CG 3.29Å; E297-M301 PolarHBondContact O-N 3.18Å; E298-M301 HydrophobicContact CG-CE 4.32Å; E298-M301 PolarHBondContact O-N 2.77Å; M301-N304 PolarHBondContact O-N 3.16Å; M301-Y305 PolarHBondContact O-N 2.94Å; M301-Y305 VanDerWaalsContact O-N 3.12Å
302L87.6Confident83.4Confident0 Ų065.8 Ų65.80%033%0.326CS..Hα-helixtrans-66.8-41.8174.2-66.8173.4000112.1I245 I246 I249 F280 L284 E298 V299 Q300 N304 Y305 Y306 F320I245-L302 HydrophobicContact CG2-CD1 3.71Å; I245-L302 HydrophobicContact CG2-CD2 4.36Å; I245-L302 HydrophobicContact CG2-CG 4.14Å; I246-L302 HydrophobicContact CD1-CD2 4.27Å; I246-L302 HydrophobicContact CG1-CD2 3.82Å; I249-L302 HydrophobicContact CD1-CD1 3.55Å; F280-L302 HydrophobicContact CE1-CB 4.14Å; F280-L302 HydrophobicContact CZ-CB 4.28Å; L284-L302 HydrophobicContact CD2-CD1 3.65Å; E298-L302 PolarHBondContact O-N 3.39Å; E298-L302 VanDerWaalsContact O-N 3.15Å; V299-L302 PolarHBondContact O-N 3.11Å; Q300-L302 VanDerWaalsContact C-N 3.32Å; Q300-L302 PolarHBondContact O-N 2.83Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 3.44Å; L302-Y305 PolarHBondContact O-N 2.85Å; L302-Y305 VanDerWaalsContact O-N 3.14Å; L302-Y306 HydrophobicContact CD2-CE2 4.36Å; L302-Y306 VanDerWaalsContact O-CD2 3.28Å; L302-Y306 WeakPolarHBondContact O-CD2 3.1Å; L302-Y306 PolarHBondContact O-N 3.08Å; L302-Y306 VanDerWaalsContact O-N 3.12Å; L302-F320 HydrophobicContact CD1-CE2 4.44Å
303A87.1Confident83.8Confident0 Ų072.9 Ų72.90%036%0.358CS..Hα-helixtrans-60.5-39.2177.800000112.1E277 F280 V299 Q300 R307 I315E277-A303 HydrophobicContact CG-CB 4.42Å; F280-A303 HydrophobicContact CD1-CB 3.93Å; F280-A303 HydrophobicContact CE1-CB 4.1Å; V299-A303 WeakPolarHBondContact O-CB 3.4Å; V299-A303 PolarHBondContact O-N 3.35Å; Q300-A303 PolarHBondContact O-N 2.9Å; A303-R307 PolarHBondContact O-N 3.24Å; A303-I315 HydrophobicContact CB-CD1 3.64Å
304N86.8Confident84.3Confident86 Ų8668.7 Ų68.746%0.4634%0.34SS..Hα-helixtrans-69-35.2175.8-69.2-16.4000112.3Q300 M301 L302Q300-N304 PolarHBondContact NE2-OD1 3.46Å; Q300-N304 WeakPolarHBondContact O-CB 3.32Å; Q300-N304 PolarHBondContact O-N 2.81Å; Q300-N304 PolarHBondContact O-ND2 2.77Å; M301-N304 PolarHBondContact O-N 3.16Å; L302-N304 VanDerWaalsContact C-N 3.28Å; L302-N304 PolarHBondContact O-N 3.44Å
305Y86.9Confident84.7Confident109 Ų10968 Ų6843%0.42734%0.337SS..Hα-helixtrans-69-40.6-179.8-173.8-102.7000112.8M301 L302M301-Y305 PolarHBondContact O-N 2.94Å; M301-Y305 VanDerWaalsContact O-N 3.12Å; L302-Y305 PolarHBondContact O-N 2.85Å; L302-Y305 VanDerWaalsContact O-N 3.14Å
306Y87.5Confident85.1Confident3 Ų367.7 Ų67.71%0.01233%0.332CS..THydrogen-bonded Turntrans-95.215.2-178.9-62.9-74000114.3F280 L302 S308 I315 N316 E319 F320 E323F280-Y306 HydrophobicContact CZ-CD2 4.41Å; L302-Y306 HydrophobicContact CD2-CE2 4.36Å; L302-Y306 VanDerWaalsContact O-CD2 3.28Å; L302-Y306 WeakPolarHBondContact O-CD2 3.1Å; L302-Y306 PolarHBondContact O-N 3.08Å; L302-Y306 VanDerWaalsContact O-N 3.12Å; Y306-S308 PolarHBondContact O-N 2.94Å; Y306-I315 CarbonylContact O-C 3.59Å; Y306-I315 WeakPolarHBondContact O-CA 3.5Å; Y306-I315 WeakPolarHBondContact O-CG2 3Å; Y306-N316 PolarHBondContact O-N 3.33Å; Y306-E319 HydrophobicContact CD1-CB 4.08Å; Y306-E319 HydrophobicContact CD1-CG 4.08Å; Y306-E319 HydrophobicContact CE1-CB 4.39Å; Y306-E319 HydrophobicContact CE1-CG 4.1Å; Y306-F320 HydrophobicContact CD1-CB 3.96Å; Y306-F320 HydrophobicContact CD2-CB 3.72Å; Y306-F320 AromaticContact CD2-CD2 3.99Å; Y306-F320 HydrophobicContact CD2-CD2 3.99Å; Y306-F320 HydrophobicContact CD2-CG 4.19Å; Y306-F320 VanDerWaalsContact CE1-CA 3.45Å; Y306-F320 HydrophobicContact CE1-CB 3.92Å; Y306-F320 HydrophobicContact CE2-CB 3.68Å; Y306-F320 AromaticContact CE2-CD2 3.33Å; Y306-F320 HydrophobicContact CE2-CD2 3.33Å; Y306-F320 HydrophobicContact CE2-CE2 4.32Å; Y306-F320 AromaticContact CE2-CG 3.92Å; Y306-F320 HydrophobicContact CE2-CG 3.92Å; Y306-F320 HydrophobicContact CG-CB 3.87Å; Y306-F320 AromaticContact CZ-CD2 3.74Å; Y306-E323 PolarHBondContact OH-OE2 2.94Å
307R87.6Confident85.3Confident106 Ų10658.5 Ų58.540%0.430%0.297SS..BIsolated β-bridgetrans-64.2130.7179.9-173.9172.2-94.2177.7-5.7110.8E277 A303 P312E277-R307 IonicContact OE2-CZ 3.22Å; E277-R307 IonicContact OE2-NH2 2.73Å; E277-R307 PolarHBondContact OE2-NH2 3.4Å; A303-R307 PolarHBondContact O-N 3.24Å; R307-P312 WeakPolarHBondContact CD-O 3.45Å; R307-P312 PolarHBondContact NE-O 3.31Å; R307-P312 VanDerWaalsContact NE-O 3.15Å
308S83.2Confident85.4Confident8 Ų858.1 Ų58.16%0.05629%0.291CS..  trans-64.7136.5-175.5179.90000111.6E274 Y306 T310 F314E274-S308 VanDerWaalsContact OE1-CB 3.31Å; E274-S308 WeakPolarHBondContact OE1-CB 3.38Å; E274-S308 PolarHBondContact OE1-OG 3.35Å; Y306-S308 PolarHBondContact O-N 2.94Å; S308-T310 VanDerWaalsContact C-N 3.27Å; S308-T310 PolarHBondContact O-N 2.57Å; S308-T310 PolarHBondContact OG-N 3.04Å; S308-T310 PolarHBondContact OG-OG1 2.73Å; S308-T310 VanDerWaalsContact OG-OG1 3.07Å; S308-F314 WeakPolarHBondContact CB-O 3.4Å; S308-F314 PolarHBondContact N-O 3.48Å
309T82Confident85.4Confident143 Ų14362.6 Ų62.688%0.87731%0.312SS*.SBendtrans-71.2-23.3175.5-42.80000112.2
310T77.9Confident85.4Confident104 Ų10462.6 Ų62.664%0.63831%0.312SS*.SBendtrans-87-43.3-176.962.60000112.1E274 S308E274-T310 PolarHBondContact OE1-OG1 3.26Å; S308-T310 VanDerWaalsContact C-N 3.27Å; S308-T310 PolarHBondContact O-N 2.57Å; S308-T310 PolarHBondContact OG-N 3.04Å; S308-T310 PolarHBondContact OG-OG1 2.73Å; S308-T310 VanDerWaalsContact OG-OG1 3.07Å
311N80.3Confident85.4Confident75 Ų7559.8 Ų59.840%0.40130%0.299SS..  trans-129.3111178.2-61.6-51.8000110.6E274 Q313 F314E274-N311 PolarHBondContact OE2-ND2 3.27Å; N311-Q313 PolarHBondContact O-N 3.15Å; N311-F314 HydrophobicContact CB-CB 4.38Å; N311-F314 HydrophobicContact CB-CD2 3.47Å; N311-F314 VanDerWaalsContact CB-CD2 3.47Å; N311-F314 HydrophobicContact CB-CE2 4.19Å; N311-F314 HydrophobicContact CB-CG 4.35Å; N311-F314 PolarHBondContact O-N 2.57Å
312P81.1Confident85.2Confident93 Ų9362 Ų6260%0.60430%0.304SS*.THydrogen-bonded Turntrans-66.6-11.8-17525.4-34.1000114.4R307 F314R307-P312 WeakPolarHBondContact CD-O 3.45Å; R307-P312 PolarHBondContact NE-O 3.31Å; R307-P312 VanDerWaalsContact NE-O 3.15Å; P312-F314 VanDerWaalsContact C-N 3.35Å
313Q80.8Confident85Confident152 Ų15264.4 Ų64.471%0.7132%0.315SS*.THydrogen-bonded Turntrans-84.2-10.1175.4-65.9-177.36.600113.3N311N311-Q313 PolarHBondContact O-N 3.15Å
314F87.3Confident84.7Confident67 Ų6764.4 Ų64.429%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-115.3154.4-175-66.5-89.3000111.9E274 V275 T276 S308 N311 P312E274-F314 HydrophobicContact CB-CB 3.98Å; E274-F314 HydrophobicContact CB-CD1 4.09Å; E274-F314 HydrophobicContact CB-CG 4.28Å; E274-F314 HydrophobicContact CG-CB 4.26Å; V275-F314 CarbonylContact O-C 3.57Å; V275-F314 WeakPolarHBondContact O-CA 3.46Å; T276-F314 HydrophobicContact CG2-CD1 4.36Å; T276-F314 HydrophobicContact CG2-CE1 4.08Å; S308-F314 WeakPolarHBondContact CB-O 3.4Å; S308-F314 PolarHBondContact N-O 3.48Å; N311-F314 HydrophobicContact CB-CB 4.38Å; N311-F314 HydrophobicContact CB-CD2 3.47Å; N311-F314 VanDerWaalsContact CB-CD2 3.47Å; N311-F314 HydrophobicContact CB-CE2 4.19Å; N311-F314 HydrophobicContact CB-CG 4.35Å; N311-F314 PolarHBondContact O-N 2.57Å; P312-F314 VanDerWaalsContact C-N 3.35Å
315I88.7Confident84.1Confident1 Ų160.9 Ų60.91%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-122.8130.3-178.9-59.5-176.9000108.2E274 V275 E277 F280 A303 Y306 Y317E274-I315 WeakPolarHBondContact CA-O 3.43Å; V275-I315 HydrophobicContact CG2-CB 4.48Å; V275-I315 PolarHBondContact N-O 2.91Å; V275-I315 PolarHBondContact O-N 2.67Å; E277-I315 HydrophobicContact CB-CD1 3.99Å; E277-I315 HydrophobicContact CG-CD1 4.12Å; F280-I315 HydrophobicContact CB-CB 4.43Å; F280-I315 HydrophobicContact CB-CD1 3.79Å; F280-I315 HydrophobicContact CB-CG2 4.45Å; F280-I315 HydrophobicContact CD1-CD1 4.11Å; F280-I315 HydrophobicContact CD2-CB 4.37Å; F280-I315 HydrophobicContact CD2-CG2 3.58Å; F280-I315 HydrophobicContact CE2-CG2 3.93Å; F280-I315 HydrophobicContact CG-CB 4.48Å; F280-I315 HydrophobicContact CG-CD1 3.92Å; F280-I315 HydrophobicContact CG-CG2 3.97Å; A303-I315 HydrophobicContact CB-CD1 3.64Å; Y306-I315 CarbonylContact O-C 3.59Å; Y306-I315 WeakPolarHBondContact O-CA 3.5Å; Y306-I315 WeakPolarHBondContact O-CG2 3Å; I315-Y317 VanDerWaalsContact C-N 3.27Å; I315-Y317 PolarHBondContact O-N 3.41Å
316N89.6Confident83.1Confident38 Ų3859.3 Ų59.320%0.20330%0.301CS..  trans-75.974.4177.6-71.8-26.5000110.4E274 Y306 R318 E319 F320E274-N316 WeakPolarHBondContact CG-OD1 3.37Å; Y306-N316 PolarHBondContact O-N 3.33Å; N316-R318 PolarHBondContact O-N 3.36Å; N316-R318 VanDerWaalsContact O-N 3.11Å; N316-E319 HydrophobicContact CB-CB 4.26Å; N316-E319 PolarHBondContact O-N 3Å; N316-E319 VanDerWaalsContact O-N 3.09Å; N316-F320 PolarHBondContact O-N 2.95Å
317Y88.9Confident81.9Confident11 Ų1160.8 Ų60.84%0.04331%0.311CS..Hα-helixtrans-59.8-26.8-178.777.2-89.6000112.9M261 F264 D268 D273 V275 I315 E319 F320 C321M261-Y317 HydrophobicContact SD-CE2 4.28Å; F264-Y317 HydrophobicContact CB-CD2 3.2Å; F264-Y317 HydrophobicContact CB-CE2 3.45Å; F264-Y317 VanDerWaalsContact CB-CE2 3.45Å; F264-Y317 HydrophobicContact CB-CG 3.81Å; F264-Y317 AromaticContact CD1-CD2 3.91Å; F264-Y317 HydrophobicContact CD1-CD2 3.91Å; F264-Y317 AromaticContact CD1-CG 3.73Å; F264-Y317 HydrophobicContact CD1-CG 3.73Å; F264-Y317 HydrophobicContact CD2-CD2 4.19Å; F264-Y317 HydrophobicContact CE1-CG 4.48Å; F264-Y317 AromaticContact CG-CD2 3.53Å; F264-Y317 HydrophobicContact CG-CD2 3.53Å; F264-Y317 HydrophobicContact CG-CE2 4.28Å; F264-Y317 AromaticContact CG-CG 3.87Å; F264-Y317 HydrophobicContact CG-CG 3.87Å; D268-Y317 HydrophobicContact CB-CE1 4.05Å; D273-Y317 WeakPolarHBondContact O-CD1 3.44Å; V275-Y317 HydrophobicContact CB-CD1 4.36Å; V275-Y317 HydrophobicContact CG1-CD1 3.65Å; V275-Y317 HydrophobicContact CG1-CE1 3.99Å; V275-Y317 HydrophobicContact CG1-CG 4.39Å; V275-Y317 HydrophobicContact CG2-CD1 4.04Å; V275-Y317 HydrophobicContact CG2-CG 4.32Å; I315-Y317 VanDerWaalsContact C-N 3.27Å; I315-Y317 PolarHBondContact O-N 3.41Å; Y317-E319 VanDerWaalsContact C-N 3.28Å; Y317-E319 PolarHBondContact O-N 2.93Å; Y317-F320 WeakPolarHBondContact O-CB 2.93Å; Y317-F320 PolarHBondContact O-N 3.3Å; Y317-C321 WeakPolarHBondContact O-CB 3.38Å; Y317-C321 PolarHBondContact O-N 3.5Å; Y317-C321 PolarHBondContact O-SG 3.47Å
318R85.6Confident80.6Confident88 Ų8858.7 Ų58.733%0.33231%0.305SS..Hα-helixtrans-69.2-27.7-179.8-167.2166.1-176.7178.23.8112.5M261 D273 N316 R322M261-R318 HydrophobicContact CE-CG 4.22Å; D273-R318 HydrophobicContact CB-CB 4.2Å; D273-R318 WeakPolarHBondContact OD1-CD 3.38Å; D273-R318 IonicContact OD1-CZ 3.65Å; D273-R318 IonicContact OD1-NE 3.79Å; D273-R318 IonicContact OD1-NH1 2.81Å; D273-R318 PolarHBondContact OD1-NH1 3.23Å; D273-R318 VanDerWaalsContact OD2-CD 3.32Å; D273-R318 WeakPolarHBondContact OD2-CD 2.83Å; D273-R318 IonicContact OD2-CZ 3.3Å; D273-R318 IonicContact OD2-NE 3.15Å; D273-R318 IonicContact OD2-NH1 3.56Å; D273-R318 PolarHBondContact OD2-NH1 3.35Å; N316-R318 PolarHBondContact O-N 3.36Å; N316-R318 VanDerWaalsContact O-N 3.11Å; R318-R322 VanDerWaalsContact O-CG 3.23Å; R318-R322 WeakPolarHBondContact O-CG 3.28Å; R318-R322 PolarHBondContact O-N 3.48Å; R318-R322 VanDerWaalsContact O-N 3.16Å; R318-R322 PolarHBondContact O-NE 3.35Å
319E84.8Confident79.6Confident109 Ų10963.6 Ų63.651%0.50933%0.327SS..Hα-helixtrans-73.8-45.3173.5-171.7170.5-168.200110.7Y306 N316 Y317 C321 R322 E323Y306-E319 HydrophobicContact CD1-CB 4.08Å; Y306-E319 HydrophobicContact CD1-CG 4.08Å; Y306-E319 HydrophobicContact CE1-CB 4.39Å; Y306-E319 HydrophobicContact CE1-CG 4.1Å; N316-E319 HydrophobicContact CB-CB 4.26Å; N316-E319 PolarHBondContact O-N 3Å; N316-E319 VanDerWaalsContact O-N 3.09Å; Y317-E319 VanDerWaalsContact C-N 3.28Å; Y317-E319 PolarHBondContact O-N 2.93Å; E319-C321 PolarHBondContact O-N 3.42Å; E319-R322 WeakPolarHBondContact O-CB 3.36Å; E319-R322 PolarHBondContact O-N 3.5Å; E319-R322 VanDerWaalsContact O-N 3.17Å; E319-E323 PolarHBondContact O-N 3.47Å
320F88.1Confident78.8Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-54.6-50.7171.6169.4-113.3000112.2I249 V260 F264 F280 L284 L302 Y306 N316 Y317 R322 E323 V324I249-F320 HydrophobicContact CD1-CE2 4.36Å; I249-F320 HydrophobicContact CD1-CZ 4.33Å; V260-F320 HydrophobicContact CG1-CE1 3.86Å; F264-F320 AromaticContact CE2-CD1 3.91Å; F264-F320 HydrophobicContact CE2-CD1 3.91Å; F264-F320 AromaticContact CE2-CE1 3.85Å; F264-F320 HydrophobicContact CE2-CE1 3.85Å; F264-F320 AromaticContact CZ-CD1 3.93Å; F264-F320 HydrophobicContact CZ-CD1 3.93Å; F264-F320 AromaticContact CZ-CE1 3.97Å; F264-F320 HydrophobicContact CZ-CE1 3.97Å; F280-F320 HydrophobicContact CE2-CB 4.24Å; F280-F320 AromaticContact CE2-CD1 3.9Å; F280-F320 HydrophobicContact CE2-CD1 3.9Å; F280-F320 HydrophobicContact CE2-CE1 4.48Å; F280-F320 HydrophobicContact CE2-CG 4.06Å; F280-F320 HydrophobicContact CZ-CD1 4.24Å; F280-F320 HydrophobicContact CZ-CG 4.23Å; L284-F320 HydrophobicContact CD1-CE1 3.86Å; L284-F320 HydrophobicContact CD1-CZ 3.54Å; L284-F320 HydrophobicContact CD2-CZ 4.47Å; L302-F320 HydrophobicContact CD1-CE2 4.44Å; Y306-F320 HydrophobicContact CD1-CB 3.96Å; Y306-F320 HydrophobicContact CD2-CB 3.72Å; Y306-F320 AromaticContact CD2-CD2 3.99Å; Y306-F320 HydrophobicContact CD2-CD2 3.99Å; Y306-F320 HydrophobicContact CD2-CG 4.19Å; Y306-F320 VanDerWaalsContact CE1-CA 3.45Å; Y306-F320 HydrophobicContact CE1-CB 3.92Å; Y306-F320 HydrophobicContact CE2-CB 3.68Å; Y306-F320 AromaticContact CE2-CD2 3.33Å; Y306-F320 HydrophobicContact CE2-CD2 3.33Å; Y306-F320 HydrophobicContact CE2-CE2 4.32Å; Y306-F320 AromaticContact CE2-CG 3.92Å; Y306-F320 HydrophobicContact CE2-CG 3.92Å; Y306-F320 HydrophobicContact CG-CB 3.87Å; Y306-F320 AromaticContact CZ-CD2 3.74Å; N316-F320 PolarHBondContact O-N 2.95Å; Y317-F320 WeakPolarHBondContact O-CB 2.93Å; Y317-F320 PolarHBondContact O-N 3.3Å; F320-R322 VanDerWaalsContact C-N 3.28Å; F320-R322 PolarHBondContact O-N 3.5Å; F320-E323 PolarHBondContact O-N 2.95Å; F320-E323 VanDerWaalsContact O-N 3.15Å; F320-V324 HydrophobicContact CD2-CG2 3.79Å; F320-V324 HydrophobicContact CE1-CG2 4.39Å; F320-V324 HydrophobicContact CE2-CG2 3.41Å; F320-V324 VanDerWaalsContact CE2-CG2 3.41Å; F320-V324 HydrophobicContact CG-CG2 4.47Å; F320-V324 HydrophobicContact CZ-CG2 3.74Å; F320-V324 WeakPolarHBondContact O-CB 3.22Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 2.9Å
321C85.8Confident78Confident0 Ų055.3 Ų55.30%027%0.274CS..Hα-helixtrans-64.1-34.6-179.9-65.60000112.1M261 Y317 E319 D325M261-C321 HydrophobicContact CE-CB 3.43Å; M261-C321 VanDerWaalsContact CE-CB 3.43Å; M261-C321 HydrophobicContact CG-CB 3.69Å; M261-C321 HydrophobicContact SD-CB 3.26Å; M261-C321 WeakPolarHBondContact SD-CB 3.49Å; Y317-C321 WeakPolarHBondContact O-CB 3.38Å; Y317-C321 PolarHBondContact O-N 3.5Å; Y317-C321 PolarHBondContact O-SG 3.47Å; E319-C321 PolarHBondContact O-N 3.42Å; C321-D325 WeakPolarHBondContact O-CB 3.45Å; C321-D325 PolarHBondContact O-N 3.15Å
322R82.2Confident77.3Confident110 Ų11055.8 Ų55.842%0.41527%0.271SS..Hα-helixtrans-62.5-42.8173.4-79.1180-134.4-1744112.1R318 E319 F320 S326 L331R318-R322 VanDerWaalsContact O-CG 3.23Å; R318-R322 WeakPolarHBondContact O-CG 3.28Å; R318-R322 PolarHBondContact O-N 3.48Å; R318-R322 VanDerWaalsContact O-N 3.16Å; R318-R322 PolarHBondContact O-NE 3.35Å; E319-R322 WeakPolarHBondContact O-CB 3.36Å; E319-R322 PolarHBondContact O-N 3.5Å; E319-R322 VanDerWaalsContact O-N 3.17Å; F320-R322 VanDerWaalsContact C-N 3.28Å; F320-R322 PolarHBondContact O-N 3.5Å; R322-S326 WeakPolarHBondContact O-CA 3.46Å; R322-S326 WeakPolarHBondContact O-CB 3.43Å; R322-S326 PolarHBondContact O-N 2.91Å; R322-L331 HydrophobicContact CB-CD1 4.12Å; R322-L331 HydrophobicContact CG-CD1 3.68Å
323E82.5Confident77Confident49 Ų4954.5 Ų54.523%0.22926%0.259CS..Hα-helixtrans-70-37.3-179-172.4172.5173.200112.4I246 K250 Y306 E319 F320I246-E323 WeakPolarHBondContact CD1-OE1 3.43Å; I246-E323 HydrophobicContact CG2-CG 4.33Å; K250-E323 WeakPolarHBondContact CE-O 3.48Å; Y306-E323 PolarHBondContact OH-OE2 2.94Å; E319-E323 PolarHBondContact O-N 3.47Å; F320-E323 PolarHBondContact O-N 2.95Å; F320-E323 VanDerWaalsContact O-N 3.15Å
324V81Confident76.6Confident0 Ų055 Ų550%026%0.261CS..Hα-helixtrans-74.3-36.3178.9174.70000112.1I249 I253 V260 F320 P327 F328I249-V324 HydrophobicContact CG2-CG1 3.86Å; I249-V324 HydrophobicContact CG2-CG2 4.17Å; I253-V324 HydrophobicContact CD1-CG1 3.02Å; V260-V324 HydrophobicContact CG2-CG1 4.44Å; F320-V324 HydrophobicContact CD2-CG2 3.79Å; F320-V324 HydrophobicContact CE1-CG2 4.39Å; F320-V324 HydrophobicContact CE2-CG2 3.41Å; F320-V324 VanDerWaalsContact CE2-CG2 3.41Å; F320-V324 HydrophobicContact CG-CG2 4.47Å; F320-V324 HydrophobicContact CZ-CG2 3.74Å; F320-V324 WeakPolarHBondContact O-CB 3.22Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 2.9Å; V324-P327 WeakPolarHBondContact O-CD 3.47Å; V324-F328 WeakPolarHBondContact O-CD2 3.33Å
325D73.5Confident76.1Confident13 Ų1359 Ų597%0.0728%0.278CS..Hα-helixtrans-82.9-20.9176-71.7-26.4000113C321 P327 F328 Q329C321-D325 WeakPolarHBondContact O-CB 3.45Å; C321-D325 PolarHBondContact O-N 3.15Å; D325-P327 VanDerWaalsContact C-N 3.31Å; D325-P327 WeakPolarHBondContact O-CD 2.94Å; D325-P327 VanDerWaalsContact O-N 3.14Å; D325-F328 PolarHBondContact O-N 3.33Å; D325-Q329 PolarHBondContact O-N 2.93Å
326S66.9Low75.4Confident75 Ų7563.6 Ų63.652%0.52430%0.303SS..THydrogen-bonded Turntrans-50.5-34.5-179.3-173.30000115.9R322 F328R322-S326 WeakPolarHBondContact O-CA 3.46Å; R322-S326 WeakPolarHBondContact O-CB 3.43Å; R322-S326 PolarHBondContact O-N 2.91Å; S326-F328 VanDerWaalsContact C-N 3.34Å
327P61.5Low74.7Confident34 Ų3466.6 Ų66.622%0.22133%0.325CS..THydrogen-bonded Turntrans-78.3-18.8177.7-3.919.5000113.4K250 V324 D325K250-P327 HydrophobicContact CD-CG 3.48Å; K250-P327 VanDerWaalsContact CD-CG 3.48Å; K250-P327 HydrophobicContact CG-CG 3.85Å; V324-P327 WeakPolarHBondContact O-CD 3.47Å; D325-P327 VanDerWaalsContact C-N 3.31Å; D325-P327 WeakPolarHBondContact O-CD 2.94Å; D325-P327 VanDerWaalsContact O-N 3.14Å
328F60.7Low74.2Confident62 Ų6274.1 Ų74.127%0.27237%0.365SS..THydrogen-bonded Turntrans-110.7-28.6-168.3-55.1-58.9000112.7K250 I253 R254 V324 D325 S326 L349K250-F328 HydrophobicContact CB-CE2 3.82Å; K250-F328 HydrophobicContact CB-CZ 3.84Å; K250-F328 HydrophobicContact CG-CE2 4.07Å; K250-F328 HydrophobicContact CG-CZ 4.49Å; K250-F328 WeakPolarHBondContact O-CE2 3.41Å; K250-F328 WeakPolarHBondContact O-CZ 2.97Å; I253-F328 HydrophobicContact CG2-CD2 4.27Å; I253-F328 HydrophobicContact CG2-CE2 4.23Å; R254-F328 HydrophobicContact CB-CD1 4.48Å; R254-F328 HydrophobicContact CB-CE1 3.67Å; R254-F328 HydrophobicContact CB-CZ 3.88Å; R254-F328 HydrophobicContact CG-CE1 4.14Å; V324-F328 WeakPolarHBondContact O-CD2 3.33Å; D325-F328 PolarHBondContact O-N 3.33Å; S326-F328 VanDerWaalsContact C-N 3.34Å; F328-L349 HydrophobicContact CE1-CD1 3.83Å; F328-L349 HydrophobicContact CZ-CD1 4.12Å
329Q63.2Low73.7Confident111 Ų11175 Ų7552%0.51937%0.371SS..  trans-138.3122.3-178.9-64.5178.814.900109.5D325 L331D325-Q329 PolarHBondContact O-N 2.93Å; Q329-L331 HydrophobicContact CB-CD2 4.49Å; Q329-L331 PolarHBondContact O-N 3.11Å
330T65.3Low72.9Confident25 Ų2574.8 Ų74.815%0.15338%0.379CS..  trans-70.197.6165.4-50.10000107.8L333 K339T330-L333 HydrophobicContact CG2-CD2 4.29Å; T330-L333 HydrophobicContact CG2-CG 4.22Å; T330-L333 WeakPolarHBondContact O-CD1 3.38Å; T330-L333 WeakPolarHBondContact O-CG 3.49Å; T330-K339 HydrophobicContact CG2-CB 4.46Å; T330-K339 HydrophobicContact CG2-CD 3.62Å; T330-K339 HydrophobicContact CG2-CG 3.93Å
331L61.5Low71.8Confident49 Ų4979.7 Ų79.726%0.25740%0.404SS..THydrogen-bonded Turntrans-62.3146.6178.8-61.6175.4000110.8R322 Q329R322-L331 HydrophobicContact CB-CD1 4.12Å; R322-L331 HydrophobicContact CG-CD1 3.68Å; Q329-L331 HydrophobicContact CB-CD2 4.49Å; Q329-L331 PolarHBondContact O-N 3.11Å
332Y65.3Low70.7Confident84 Ų8485 Ų8533%0.32944%0.436SS..THydrogen-bonded Turntrans6529.6178.8-45.1-72.6000116.3E334 K335 D336Y332-E334 PolarHBondContact O-N 2.88Å; Y332-E334 VanDerWaalsContact O-N 3.07Å; Y332-K335 HydrophobicContact CD1-CD 4.35Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-D336 PolarHBondContact O-N 2.83Å
333L73.4Confident69.6Low67 Ų6784.3 Ų84.335%0.35144%0.44SS..THydrogen-bonded Turntrans-55-22.1167.7-80163000113.1T330 K335 D336 P337 I341T330-L333 HydrophobicContact CG2-CD2 4.29Å; T330-L333 HydrophobicContact CG2-CG 4.22Å; T330-L333 WeakPolarHBondContact O-CD1 3.38Å; T330-L333 WeakPolarHBondContact O-CG 3.49Å; L333-K335 VanDerWaalsContact C-N 3.35Å; L333-D336 CarbonylContact O-C 3.59Å; L333-P337 WeakPolarHBondContact O-CA 3.37Å; L333-I341 HydrophobicContact CD2-CG1 4.48Å
334E73.4Confident68.3Low163 Ų16383.8 Ų83.876%0.76244%0.441SS*.THydrogen-bonded Turntrans-68.5-27.3171.467.6-147.8-171.400114.2Y332Y332-E334 PolarHBondContact O-N 2.88Å; Y332-E334 VanDerWaalsContact O-N 3.07Å
335K75.5Confident67.1Low150 Ų15087 Ų8765%0.65247%0.468SS*.THydrogen-bonded Turntrans-94.3-39.1177.5-63.4-173178.9-179.50111.4Y332 L333 P337Y332-K335 HydrophobicContact CD1-CD 4.35Å; Y332-K335 PolarHBondContact O-N 3.12Å; L333-K335 VanDerWaalsContact C-N 3.35Å; K335-P337 WeakPolarHBondContact O-CD 3.47Å
336D75.5Confident65.9Low97 Ų9798.3 Ų98.352%0.51951%0.509SS..  trans-121.674.6-178.8-64.5-32.9000111Y332 L333 L338 K339Y332-D336 PolarHBondContact O-N 2.83Å; L333-D336 CarbonylContact O-C 3.59Å; D336-L338 PolarHBondContact O-N 3.46Å; D336-L338 VanDerWaalsContact O-N 3.1Å; D336-K339 HydrophobicContact CB-CB 4.22Å; D336-K339 WeakPolarHBondContact O-CB 3.3Å; D336-K339 PolarHBondContact O-N 3.39Å; D336-K339 VanDerWaalsContact O-N 3.12Å
337P75.1Confident65.2Low102 Ų10296.5 Ų96.566%0.66250%0.503SS*.THydrogen-bonded Turntrans-65.3-15.7-177.326.4-35.4000113.7L333 K335L333-P337 WeakPolarHBondContact O-CA 3.37Å; K335-P337 WeakPolarHBondContact O-CD 3.47Å
338L78.1Confident64.6Low169 Ų16997.9 Ų97.989%0.88552%0.517SS*.THydrogen-bonded Turntrans-88.9-0.6178.6-63175.7000113.5D336 P340D336-L338 PolarHBondContact O-N 3.46Å; D336-L338 VanDerWaalsContact O-N 3.1Å; L338-P340 WeakPolarHBondContact O-CD 3.48Å
339K74.2Confident64Low107 Ų10797.2 Ų97.247%0.46552%0.516SS..SBendtrans-73.3120.2-179.8-167.7170178.3179.70109.7T330 D336 I341T330-K339 HydrophobicContact CG2-CB 4.46Å; T330-K339 HydrophobicContact CG2-CD 3.62Å; T330-K339 HydrophobicContact CG2-CG 3.93Å; D336-K339 HydrophobicContact CB-CB 4.22Å; D336-K339 WeakPolarHBondContact O-CB 3.3Å; D336-K339 PolarHBondContact O-N 3.39Å; D336-K339 VanDerWaalsContact O-N 3.12Å; K339-I341 PolarHBondContact O-N 3.45Å
340P68Low63.5Low103 Ų10395.8 Ų95.867%0.66952%0.518SS*.  trans-64.5133.1-178.625.4-33.2000110.7L338 T342L338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-T342 PolarHBondContact O-N 2.95Å; P340-T342 VanDerWaalsContact O-N 3.17Å
341I65.3Low62.9Low103 Ų10399.5 Ų99.553%0.52853%0.534SS..  trans-73.4105.9177.1-56.9170.3000107.8L333 K339 I343L333-I341 HydrophobicContact CD2-CG1 4.48Å; K339-I341 PolarHBondContact O-N 3.45Å; I341-I343 HydrophobicContact CG2-CG1 4.02Å; I341-I343 PolarHBondContact O-N 3.45Å; I341-I343 VanDerWaalsContact O-N 3.13Å
342T62.3Low62.5Low111 Ų111105 Ų10568%0.68156%0.562SS**  trans-76.596.917131.60000109.7P340 P344P340-T342 PolarHBondContact O-N 2.95Å; P340-T342 VanDerWaalsContact O-N 3.17Å; T342-P344 WeakPolarHBondContact O-CD 3.34Å
343I60.5Low62.2Low96 Ų96104.4 Ų104.449%0.49257%0.565SS.*PPolyproline II helixtrans-77.7118.6168.9-62.1173.3000107I341 A345 I480I341-I343 HydrophobicContact CG2-CG1 4.02Å; I341-I343 PolarHBondContact O-N 3.45Å; I341-I343 VanDerWaalsContact O-N 3.13Å; I343-A345 PolarHBondContact O-N 3.33Å; I343-I480 HydrophobicContact CB-CD1 4.05Å; I343-I480 HydrophobicContact CD1-CB 4.35Å; I343-I480 HydrophobicContact CD1-CD1 3.38Å; I343-I480 HydrophobicContact CD1-CG1 3.62Å; I343-I480 HydrophobicContact CD1-CG2 3.82Å; I343-I480 HydrophobicContact CG1-CD1 4.22Å; I343-I480 HydrophobicContact CG2-CD1 4.26Å
344P54.9Low61.7Low38 Ų38103.6 Ų103.625%0.24756%0.564CS.*PPolyproline II helixtrans-58.2129.3176.122.5-31.2000108.7T342 A348T342-P344 WeakPolarHBondContact O-CD 3.34Å; P344-A348 HydrophobicContact CB-CB 4.08Å
345A54.7Low61.4Low68 Ų6899.3 Ų99.356%0.56255%0.549SS*.PPolyproline II helixtrans-48.2144.8-177.400000110.9I343 G347 A348I343-A345 PolarHBondContact O-N 3.33Å; A345-G347 PolarHBondContact O-N 2.86Å; A345-A348 HydrophobicContact CB-CB 4.16Å; A345-A348 WeakPolarHBondContact O-CB 3.37Å; A345-A348 PolarHBondContact O-N 3Å
346R49.6Very low61Low250 Ų25092.5 Ų92.594%0.94352%0.52SS*.THydrogen-bonded Turntrans-57.7113.7170.5-78-177.3176.4-174.5-1.5107.3
347G50.4Low61.2Low38 Ų3889.4 Ų89.439%0.39251%0.506SS..THydrogen-bonded Turntrans98.9-6.2-171.800000116A345 L349 S350A345-G347 PolarHBondContact O-N 2.86Å; G347-L349 PolarHBondContact O-N 3.28Å; G347-S350 VanDerWaalsContact C-OG 3.32Å; G347-S350 WeakPolarHBondContact CA-OG 3.4Å; G347-S350 PolarHBondContact O-N 2.94Å; G347-S350 PolarHBondContact O-OG 2.84Å
348A49Very low61.4Low62 Ų6290.5 Ų90.551%0.51250%0.502SS..THydrogen-bonded Turntrans-62-17.4172.700000113.1P344 A345P344-A348 HydrophobicContact CB-CB 4.08Å; A345-A348 HydrophobicContact CB-CB 4.16Å; A345-A348 WeakPolarHBondContact O-CB 3.37Å; A345-A348 PolarHBondContact O-N 3Å
349L49.1Very low61.5Low49 Ų4986.8 Ų86.826%0.25748%0.48SS..THydrogen-bonded Turntrans-117.48.3172.4-63174.3000112.4V251 R254 F328 G347 Q351V251-L349 HydrophobicContact CG2-CB 4.37Å; V251-L349 HydrophobicContact CG2-CD2 4.1Å; R254-L349 HydrophobicContact CB-CD1 4.44Å; R254-L349 HydrophobicContact CG-CD1 4.49Å; F328-L349 HydrophobicContact CE1-CD1 3.83Å; F328-L349 HydrophobicContact CZ-CD1 4.12Å; G347-L349 PolarHBondContact O-N 3.28Å; L349-Q351 PolarHBondContact O-N 3.3Å
350S51.7Low61.8Low80 Ų8081.7 Ų81.756%0.55946%0.458SS*.SBendtrans-72.5126169.155.40000108.2G347 L352G347-S350 VanDerWaalsContact C-OG 3.32Å; G347-S350 WeakPolarHBondContact CA-OG 3.4Å; G347-S350 PolarHBondContact O-N 2.94Å; G347-S350 PolarHBondContact O-OG 2.84Å; S350-L352 PolarHBondContact O-N 3Å
351Q54.5Low62.5Low103 Ų10379.2 Ų79.248%0.48144%0.437SS..PPolyproline II helixtrans-54.8122.7-176.3-67.5178.8-34.300110.1L349 L353 N429L349-Q351 PolarHBondContact O-N 3.3Å; Q351-L353 PolarHBondContact O-N 3.05Å; Q351-N429 VanDerWaalsContact OE1-CG 3.31Å; Q351-N429 PolarHBondContact OE1-ND2 2.94Å; Q351-N429 PolarHBondContact OE1-OD1 3.27Å
352L52.6Low63.5Low164 Ų16478.1 Ų78.186%0.85943%0.432SS*.PPolyproline II helixtrans-61.3127.4173.9-74.7131.3000108.8S350S350-L352 PolarHBondContact O-N 3Å
353L59.3Low64.6Low73 Ų7375.9 Ų75.938%0.38241%0.412SS..PPolyproline II helixtrans-58.9148.1170.4-69.4169.6000109.3Q351 V355 F427 A439Q351-L353 PolarHBondContact O-N 3.05Å; L353-V355 PolarHBondContact O-N 2.89Å; L353-F427 HydrophobicContact CD2-CD1 4.1Å; L353-A439 HydrophobicContact CD2-CB 4.23Å
354C63Low65.8Low49 Ų4971.7 Ų71.733%0.33139%0.39SS..PPolyproline II helixtrans-57.5126.9176.9-166.90000109.3L356 R425 K426C354-L356 PolarHBondContact O-N 3.39Å; C354-R425 WeakPolarHBondContact CB-O 3.49Å; C354-K426 WeakPolarHBondContact O-CD 3.24Å; C354-K426 WeakPolarHBondContact O-CE 3.08Å; C354-K426 PolarHBondContact O-NZ 3.4Å
355V65.2Low67.2Low74 Ų7473.1 Ų73.145%0.44840%0.401SS..PPolyproline II helixtrans-77.3123.8168.7-173.50000105.1F232 L353F232-V355 HydrophobicContact CD2-CB 3.88Å; F232-V355 HydrophobicContact CD2-CG1 4.26Å; F232-V355 WeakPolarHBondContact CD2-O 3.15Å; F232-V355 HydrophobicContact CE2-CB 3.4Å; F232-V355 HydrophobicContact CE2-CG1 3.44Å; F232-V355 VanDerWaalsContact CE2-CG1 3.44Å; F232-V355 HydrophobicContact CE2-CG2 4.5Å; F232-V355 HydrophobicContact CZ-CB 4.05Å; F232-V355 HydrophobicContact CZ-CG1 4.13Å; L353-V355 PolarHBondContact O-N 2.89Å
356L68.5Low68.8Low7 Ų776.9 Ų76.94%0.03741%0.405CS..PPolyproline II helixtrans-92.7159.9165.9-63.8155.1000105.1H230 C354 D360 E361 V364 R425 K426H230-L356 CarbonylContact O-C 3.33Å; H230-L356 WeakPolarHBondContact O-CA 3.19Å; C354-L356 PolarHBondContact O-N 3.39Å; L356-D360 HydrophobicContact CB-CB 3.64Å; L356-D360 HydrophobicContact CD1-CB 4.12Å; L356-D360 HydrophobicContact CD2-CB 4.34Å; L356-D360 HydrophobicContact CG-CB 4.24Å; L356-E361 HydrophobicContact CB-CG 3.83Å; L356-E361 PolarHBondContact N-OE1 3.23Å; L356-E361 WeakPolarHBondContact O-CG 3.36Å; L356-V364 HydrophobicContact CD1-CG2 4.01Å; L356-R425 HydrophobicContact CD2-CB 3.96Å; L356-K426 HydrophobicContact CD1-CB 3.81Å; L356-K426 HydrophobicContact CD1-CD 3.72Å; L356-K426 HydrophobicContact CD1-CG 4.35Å; L356-K426 HydrophobicContact CG-CD 4.34Å
357S79.4Confident70.6Confident32 Ų3265.6 Ų65.622%0.22436%0.363CS..  trans-77174.5169.67.50000110.8H230 V231 E359 D360 E361H230-S357 VanDerWaalsContact CA-OG 3.24Å; H230-S357 WeakPolarHBondContact CA-OG 2.94Å; H230-S357 WeakPolarHBondContact CB-O 3.37Å; H230-S357 WeakPolarHBondContact CB-OG 3.39Å; H230-S357 VanDerWaalsContact CG-OG 3.22Å; H230-S357 PolarHBondContact ND1-OG 3.46Å; H230-S357 PolarHBondContact O-N 3.49Å; H230-S357 PolarHBondContact O-OG 3.01Å; V231-S357 VanDerWaalsContact CA-OG 3.31Å; V231-S357 WeakPolarHBondContact CA-OG 3.42Å; V231-S357 WeakPolarHBondContact CB-OG 2.98Å; V231-S357 PolarHBondContact N-OG 3.02Å; V231-S357 VanDerWaalsContact N-OG 3.1Å; V231-S357 PolarHBondContact O-N 2.9Å; V231-S357 PolarHBondContact O-OG 3.15Å; S357-E359 PolarHBondContact O-N 3.2Å; S357-D360 PolarHBondContact O-N 3.12Å; S357-D360 VanDerWaalsContact O-N 3.14Å; S357-E361 PolarHBondContact O-N 2.87Å; S357-E361 VanDerWaalsContact O-N 3.17Å
358Q79.3Confident72.3Confident125 Ų12564.3 Ų64.358%0.58435%0.348SS*.Hα-helixtrans-59.4-42.4-150.3-164.762.240.500114.7E361 D362Q358-E361 PolarHBondContact O-N 3.34Å; Q358-D362 PolarHBondContact O-N 2.92Å
359E80.6Confident74.1Confident91 Ų9167 Ų6743%0.42535%0.35SS..Hα-helixtrans-68.2-40.7-177.3-46.2165.8-153.500111.2I228 D229 H230 S357 E361 D362 R363I228-E359 HydrophobicContact CG2-CB 3.25Å; I228-E359 WeakPolarHBondContact CG2-O 3.43Å; D229-E359 HydrophobicContact CB-CB 4.34Å; D229-E359 CarbonylContact O-C 3.58Å; H230-E359 VanDerWaalsContact CD2-CB 3.43Å; H230-E359 WeakPolarHBondContact CD2-CB 3.39Å; H230-E359 WeakPolarHBondContact CD2-CG 3.47Å; H230-E359 PolarHBondContact CD2-N 2.58Å; H230-E359 VanDerWaalsContact CD2-N 3.31Å; H230-E359 IonicContact CD2-OE1 2.98Å; H230-E359 IonicContact CE1-OE1 3Å; H230-E359 WeakPolarHBondContact NE2-CG 3.35Å; H230-E359 IonicContact NE2-OE1 3.72Å; H230-E359 PolarHBondContact NE2-OE1 2.92Å; H230-E359 IonicContact NE2-OE2 3.62Å; S357-E359 PolarHBondContact O-N 3.2Å; E359-E361 VanDerWaalsContact C-N 3.3Å; E359-E361 PolarHBondContact O-N 3.12Å; E359-D362 WeakPolarHBondContact O-CB 3.47Å; E359-D362 PolarHBondContact O-N 3.37Å; E359-R363 PolarHBondContact O-N 3.12Å
360D80.6Confident75.8Confident0 Ų067.5 Ų67.50%035%0.351CS..Hα-helixtrans-65.4-38.3179-103.3-13.5000109.6D229 H230 L356 S357 R363 V364 R422 R425D229-D360 VanDerWaalsContact C-OD1 3.29Å; D229-D360 WeakPolarHBondContact O-CA 3.38Å; D229-D360 WeakPolarHBondContact O-CB 3.26Å; D229-D360 PolarHBondContact O-N 3.45Å; H230-D360 HydrophobicContact CB-CB 4.07Å; H230-D360 PolarHBondContact N-OD2 3.18Å; L356-D360 HydrophobicContact CB-CB 3.64Å; L356-D360 HydrophobicContact CD1-CB 4.12Å; L356-D360 HydrophobicContact CD2-CB 4.34Å; L356-D360 HydrophobicContact CG-CB 4.24Å; S357-D360 PolarHBondContact O-N 3.12Å; S357-D360 VanDerWaalsContact O-N 3.14Å; D360-R363 PolarHBondContact O-N 3.1Å; D360-V364 VanDerWaalsContact O-CB 3.3Å; D360-V364 WeakPolarHBondContact O-CB 3.47Å; D360-V364 WeakPolarHBondContact O-CG2 3.23Å; D360-V364 PolarHBondContact O-N 3.48Å; D360-R422 WeakPolarHBondContact OD1-CD 3.23Å; D360-R422 WeakPolarHBondContact OD1-CG 3.26Å; D360-R422 IonicContact OD1-NE 3.9Å; D360-R422 PolarHBondContact OD1-NE 3.32Å; D360-R422 VanDerWaalsContact OD1-NE 3.09Å; D360-R425 IonicContact OD2-NH1 3.53Å
361E82.5Confident77.4Confident50 Ų5063.8 Ų63.823%0.23432%0.324CS..Hα-helixtrans-65-40.3174.5-67-153.7146.100112.3L356 S357 Q358 E359 R363 S365 K426L356-E361 HydrophobicContact CB-CG 3.83Å; L356-E361 PolarHBondContact N-OE1 3.23Å; L356-E361 WeakPolarHBondContact O-CG 3.36Å; S357-E361 PolarHBondContact O-N 2.87Å; S357-E361 VanDerWaalsContact O-N 3.17Å; Q358-E361 PolarHBondContact O-N 3.34Å; E359-E361 VanDerWaalsContact C-N 3.3Å; E359-E361 PolarHBondContact O-N 3.12Å; E361-R363 VanDerWaalsContact C-N 3.35Å; E361-S365 VanDerWaalsContact O-CB 3.31Å; E361-S365 WeakPolarHBondContact O-CB 3.29Å; E361-S365 PolarHBondContact O-N 2.76Å; E361-S365 PolarHBondContact O-OG 3.39Å; E361-K426 IonicContact OE1-NZ 3.84Å; E361-K426 PolarHBondContact OE1-NZ 2.92Å
362D85.1Confident78.9Confident80 Ų8061.1 Ų61.143%0.42831%0.311SS..Hα-helixtrans-66-38.5175.8-72.2-15.2000111.4Q358 E359 K366Q358-D362 PolarHBondContact O-N 2.92Å; E359-D362 WeakPolarHBondContact O-CB 3.47Å; E359-D362 PolarHBondContact O-N 3.37Å; D362-K366 WeakPolarHBondContact O-CG 3.45Å; D362-K366 PolarHBondContact O-N 2.88Å
363R86Confident80.4Confident65 Ų6559.9 Ų59.925%0.24530%0.295CS..Hα-helixtrans-68.9-47.6176.5-174.853.3167.7-174.812.2111.8I228 E359 D360 E361 S365 K366 L367 D419I228-R363 HydrophobicContact CB-CB 3.88Å; I228-R363 HydrophobicContact CB-CG 4.09Å; I228-R363 HydrophobicContact CD1-CB 3.75Å; I228-R363 HydrophobicContact CD1-CG 3.73Å; I228-R363 HydrophobicContact CG1-CB 4.41Å; I228-R363 HydrophobicContact CG1-CG 4.49Å; I228-R363 HydrophobicContact CG2-CB 3.95Å; E359-R363 PolarHBondContact O-N 3.12Å; D360-R363 PolarHBondContact O-N 3.1Å; E361-R363 VanDerWaalsContact C-N 3.35Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 2.9Å; R363-K366 PolarHBondContact O-N 3.12Å; R363-L367 HydrophobicContact CG-CD1 4.19Å; R363-L367 WeakPolarHBondContact O-CG 3.45Å; R363-L367 PolarHBondContact O-N 3.11Å; R363-D419 IonicContact CZ-OD1 3.55Å; R363-D419 IonicContact CZ-OD2 3.71Å; R363-D419 IonicContact NE-OD1 3.05Å; R363-D419 PolarHBondContact NE-OD1 3.46Å; R363-D419 IonicContact NE-OD2 3.39Å; R363-D419 IonicContact NH2-OD1 2.64Å; R363-D419 IonicContact NH2-OD2 3.54Å; R363-D419 PolarHBondContact NH2-OD2 2.91Å
364V85.3Confident81.6Confident7 Ų758.7 Ų58.74%0.04229%0.288CS..Hα-helixtrans-60.4-40.6177168.40000110.9L356 D360 K366 L367 V368 R422 L423 K426L356-V364 HydrophobicContact CD1-CG2 4.01Å; D360-V364 VanDerWaalsContact O-CB 3.3Å; D360-V364 WeakPolarHBondContact O-CB 3.47Å; D360-V364 WeakPolarHBondContact O-CG2 3.23Å; D360-V364 PolarHBondContact O-N 3.48Å; V364-K366 PolarHBondContact O-N 3.26Å; V364-L367 PolarHBondContact O-N 3.14Å; V364-V368 HydrophobicContact CG1-CG2 4.25Å; V364-V368 VanDerWaalsContact O-CG2 3.31Å; V364-V368 WeakPolarHBondContact O-CG2 3.12Å; V364-V368 PolarHBondContact O-N 3.41Å; V364-R422 HydrophobicContact CG2-CB 3.85Å; V364-L423 HydrophobicContact CG1-CD2 4.05Å; V364-K426 HydrophobicContact CG1-CB 4.24Å; V364-K426 HydrophobicContact CG1-CG 4.11Å
365S85.5Confident82.6Confident69 Ų6956.6 Ų56.648%0.48327%0.274SS..Hα-helixtrans-61.9-42177-61.30000112.2E361 R363 E369E361-S365 VanDerWaalsContact O-CB 3.31Å; E361-S365 WeakPolarHBondContact O-CB 3.29Å; E361-S365 PolarHBondContact O-N 2.76Å; E361-S365 PolarHBondContact O-OG 3.39Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 2.9Å; S365-E369 PolarHBondContact O-N 3.36Å; S365-E369 VanDerWaalsContact O-N 3.16Å
366K86.9Confident83.4Confident147 Ų14756.6 Ų56.664%0.63928%0.276SS*.Hα-helixtrans-65.6-39174.3-71.6171.2-176.9169.70112.4D362 R363 V364 E369 E370D362-K366 WeakPolarHBondContact O-CG 3.45Å; D362-K366 PolarHBondContact O-N 2.88Å; R363-K366 PolarHBondContact O-N 3.12Å; V364-K366 PolarHBondContact O-N 3.26Å; K366-E369 PolarHBondContact O-N 3.25Å; K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 PolarHBondContact O-N 2.83Å
367L87.8Confident84.1Confident13 Ų1363.6 Ų63.67%0.06831%0.308CS..Hα-helixtrans-66.5-42.4177.3-70168.4000112.2R363 V364 E369 E370 I371 L415 D419 L423R363-L367 HydrophobicContact CG-CD1 4.19Å; R363-L367 WeakPolarHBondContact O-CG 3.45Å; R363-L367 PolarHBondContact O-N 3.11Å; V364-L367 PolarHBondContact O-N 3.14Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.32Å; L367-E370 WeakPolarHBondContact O-CB 3.49Å; L367-E370 PolarHBondContact O-N 2.97Å; L367-I371 WeakPolarHBondContact O-CD1 3.43Å; L367-I371 WeakPolarHBondContact O-CG1 3.17Å; L367-I371 PolarHBondContact O-N 2.98Å; L367-L415 HydrophobicContact CD2-CD2 4.01Å; L367-D419 HydrophobicContact CD1-CB 3.51Å; L367-D419 HydrophobicContact CD2-CB 3.97Å; L367-D419 WeakPolarHBondContact CD2-OD2 3.47Å; L367-D419 HydrophobicContact CG-CB 4.38Å; L367-L423 HydrophobicContact CB-CD1 4.4Å; L367-L423 HydrophobicContact CD1-CD1 4.42Å; L367-L423 HydrophobicContact CD1-CG 4.39Å
368V86.3Confident84.1Confident11 Ų1167.1 Ų67.17%0.06732%0.32CS..Hα-helixtrans-61.6-42.7176.7168.40000110.8V364 I371 K372 L423 R443V364-V368 HydrophobicContact CG1-CG2 4.25Å; V364-V368 VanDerWaalsContact O-CG2 3.31Å; V364-V368 WeakPolarHBondContact O-CG2 3.12Å; V364-V368 PolarHBondContact O-N 3.41Å; V368-I371 PolarHBondContact O-N 3.05Å; V368-K372 VanDerWaalsContact O-CB 3.22Å; V368-K372 WeakPolarHBondContact O-CB 3.35Å; V368-K372 PolarHBondContact O-N 3.44Å; V368-L423 HydrophobicContact CG2-CD2 4Å; V368-R443 HydrophobicContact CG1-CB 4.25Å; V368-R443 HydrophobicContact CG1-CG 3.56Å
369E86.4Confident84.1Confident119 Ų11972 Ų7256%0.55633%0.333SS*.Hα-helixtrans-65.2-37.3174.6-76.4-65.1161.300112.9S365 K366 L367 K372 R373S365-E369 PolarHBondContact O-N 3.36Å; S365-E369 VanDerWaalsContact O-N 3.16Å; K366-E369 PolarHBondContact O-N 3.25Å; L367-E369 VanDerWaalsContact C-N 3.33Å; L367-E369 PolarHBondContact O-N 3.32Å; E369-K372 PolarHBondContact O-N 3.09Å; E369-R373 WeakPolarHBondContact O-CB 3.42Å; E369-R373 PolarHBondContact O-N 2.77Å
370E84.8Confident83.9Confident59 Ų5968.8 Ų68.828%0.27632%0.318SS..Hα-helixtrans-64-47.2174.7-177.260.8-146.500111.8K366 L367 K372 R373 Q374K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 PolarHBondContact O-N 2.83Å; L367-E370 WeakPolarHBondContact O-CB 3.49Å; L367-E370 PolarHBondContact O-N 2.97Å; E370-K372 VanDerWaalsContact C-N 3.35Å; E370-R373 PolarHBondContact O-N 3Å; E370-R373 IonicContact OE1-CZ 3.72Å; E370-R373 IonicContact OE1-NH2 2.73Å; E370-R373 PolarHBondContact OE1-NH2 3.24Å; E370-R373 IonicContact OE2-CZ 3.85Å; E370-R373 IonicContact OE2-NH1 2.65Å; E370-R373 PolarHBondContact OE2-NH1 2.91Å; E370-R373 IonicContact OE2-NH2 3.55Å; E370-R373 PolarHBondContact OE2-NH2 3.39Å; E370-Q374 WeakPolarHBondContact O-CG 3.39Å; E370-Q374 PolarHBondContact O-N 2.83Å; E370-Q374 PolarHBondContact OE1-NE2 3.38Å
371I85.5Confident83.9Confident1 Ų173 Ų731%0.00534%0.341CS..Hα-helixtrans-63.1-45177-64.4160.5000109.6L367 V368 R373 Q374 V375 L413 L415 L423 F440 I444L367-I371 WeakPolarHBondContact O-CD1 3.43Å; L367-I371 WeakPolarHBondContact O-CG1 3.17Å; L367-I371 PolarHBondContact O-N 2.98Å; V368-I371 PolarHBondContact O-N 3.05Å; I371-R373 VanDerWaalsContact C-N 3.28Å; I371-R373 PolarHBondContact O-N 3Å; I371-Q374 PolarHBondContact O-N 2.96Å; I371-Q374 VanDerWaalsContact O-N 3.16Å; I371-V375 HydrophobicContact CG2-CG2 3.99Å; I371-V375 WeakPolarHBondContact O-CB 3.42Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 3.25Å; I371-L413 HydrophobicContact CG2-CD1 3.89Å; I371-L413 HydrophobicContact CG2-CD2 4.4Å; I371-L415 HydrophobicContact CD1-CD1 3.72Å; I371-L415 HydrophobicContact CD1-CD2 4.24Å; I371-L415 HydrophobicContact CD1-CG 4.49Å; I371-L415 HydrophobicContact CG1-CD1 4.22Å; I371-L415 HydrophobicContact CG1-CD2 4.2Å; I371-L423 HydrophobicContact CD1-CD1 3.75Å; I371-F440 HydrophobicContact CD1-CE2 4.29Å; I371-F440 HydrophobicContact CD1-CZ 4.23Å; I371-I444 HydrophobicContact CB-CD1 4.32Å; I371-I444 HydrophobicContact CG2-CD1 3.54Å; I371-I444 HydrophobicContact CG2-CG1 4.03Å; I371-I444 HydrophobicContact CG2-CG2 4.17Å
372K86Confident83.8Confident47 Ų4770.7 Ų70.720%0.20433%0.33CS..Hα-helixtrans-55.2-44.6175-176.6172.1-173.5170.90111.3V368 E369 E370 V375 C376 D446V368-K372 VanDerWaalsContact O-CB 3.22Å; V368-K372 WeakPolarHBondContact O-CB 3.35Å; V368-K372 PolarHBondContact O-N 3.44Å; E369-K372 PolarHBondContact O-N 3.09Å; E370-K372 VanDerWaalsContact C-N 3.35Å; K372-V375 PolarHBondContact O-N 3.02Å; K372-C376 VanDerWaalsContact O-CB 3.3Å; K372-C376 WeakPolarHBondContact O-CB 3.41Å; K372-C376 PolarHBondContact O-N 2.73Å; K372-C376 PolarHBondContact O-SG 2.77Å; K372-D446 VanDerWaalsContact CE-OD1 3.25Å; K372-D446 WeakPolarHBondContact CE-OD1 3.5Å; K372-D446 VanDerWaalsContact CE-OD2 3.27Å; K372-D446 WeakPolarHBondContact CE-OD2 3.29Å; K372-D446 IonicContact NZ-OD1 2.78Å; K372-D446 PolarHBondContact NZ-OD1 2.95Å; K372-D446 IonicContact NZ-OD2 2.79Å; K372-D446 PolarHBondContact NZ-OD2 3.44Å
373R85.3Confident83.6Confident138 Ų13868.7 Ų68.752%0.52132%0.316SS..Hα-helixtrans-62.8-45.3176.5-166.2173.473.6-116.53.2112.3E369 E370 I371 C376 E377E369-R373 WeakPolarHBondContact O-CB 3.42Å; E369-R373 PolarHBondContact O-N 2.77Å; E370-R373 PolarHBondContact O-N 3Å; E370-R373 IonicContact OE1-CZ 3.72Å; E370-R373 IonicContact OE1-NH2 2.73Å; E370-R373 PolarHBondContact OE1-NH2 3.24Å; E370-R373 IonicContact OE2-CZ 3.85Å; E370-R373 IonicContact OE2-NH1 2.65Å; E370-R373 PolarHBondContact OE2-NH1 2.91Å; E370-R373 IonicContact OE2-NH2 3.55Å; E370-R373 PolarHBondContact OE2-NH2 3.39Å; I371-R373 VanDerWaalsContact C-N 3.28Å; I371-R373 PolarHBondContact O-N 3Å; R373-C376 PolarHBondContact O-N 3.31Å; R373-E377 WeakPolarHBondContact O-CB 3.43Å; R373-E377 PolarHBondContact O-N 2.74Å
374Q83.1Confident83.5Confident49 Ų4968 Ų6823%0.22932%0.32CS..Hα-helixtrans-67.2-38.2179.2-69.6-178.724.100112.9E370 I371 E377 K378 L413E370-Q374 WeakPolarHBondContact O-CG 3.39Å; E370-Q374 PolarHBondContact O-N 2.83Å; E370-Q374 PolarHBondContact OE1-NE2 3.38Å; I371-Q374 PolarHBondContact O-N 2.96Å; I371-Q374 VanDerWaalsContact O-N 3.16Å; Q374-E377 PolarHBondContact O-N 3.41Å; Q374-K378 WeakPolarHBondContact O-CB 3.41Å; Q374-K378 WeakPolarHBondContact O-CG 3.14Å; Q374-K378 PolarHBondContact O-N 3.27Å; Q374-L413 HydrophobicContact CB-CD2 3.67Å
375V84.1Confident83.4Confident5 Ų571.7 Ų71.73%0.0333%0.334CS..Hα-helixtrans-67.3-43176.7170.60000110.6I371 K372 R379 I380 T382 L413 I444I371-V375 HydrophobicContact CG2-CG2 3.99Å; I371-V375 WeakPolarHBondContact O-CB 3.42Å; I371-V375 VanDerWaalsContact O-CG2 3.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.46Å; I371-V375 PolarHBondContact O-N 3.25Å; K372-V375 PolarHBondContact O-N 3.02Å; V375-R379 VanDerWaalsContact O-CA 3.31Å; V375-R379 WeakPolarHBondContact O-CA 3.34Å; V375-R379 PolarHBondContact O-N 2.75Å; V375-I380 HydrophobicContact CG1-CB 4.35Å; V375-I380 WeakPolarHBondContact CG1-O 3.29Å; V375-I380 PolarHBondContact O-N 3.23Å; V375-I380 VanDerWaalsContact O-N 3.11Å; V375-T382 HydrophobicContact CB-CG2 4.44Å; V375-T382 HydrophobicContact CG1-CG2 3.81Å; V375-T382 HydrophobicContact CG2-CG2 3.68Å; V375-L413 HydrophobicContact CG2-CD1 4.12Å; V375-L413 HydrophobicContact CG2-CD2 4.18Å; V375-I444 HydrophobicContact CB-CG2 4.02Å; V375-I444 HydrophobicContact CG1-CG2 4Å; V375-I444 HydrophobicContact CG2-CG2 3.82Å
376C83Confident83.3Confident74 Ų7468.4 Ų68.450%0.531%0.311SS..Hα-helixtrans-63.5-42.2173.5-75.40000112.7K372 R373K372-C376 VanDerWaalsContact O-CB 3.3Å; K372-C376 WeakPolarHBondContact O-CB 3.41Å; K372-C376 PolarHBondContact O-N 2.73Å; K372-C376 PolarHBondContact O-SG 2.77Å; R373-C376 PolarHBondContact O-N 3.31Å
377E82.4Confident83Confident153 Ų15364.7 Ų64.772%0.71530%0.296SS*.Hα-helixtrans-67.5-42.7179.6-171.9176.7-178.300112R373 Q374R373-E377 WeakPolarHBondContact O-CB 3.43Å; R373-E377 PolarHBondContact O-N 2.74Å; Q374-E377 PolarHBondContact O-N 3.41Å
378K79.9Confident82.6Confident107 Ų10769 Ų6947%0.46532%0.319SS..Hα-helixtrans-86-5.7179.5-64.6180179.9175.60114Q374 I380 G412Q374-K378 WeakPolarHBondContact O-CB 3.41Å; Q374-K378 WeakPolarHBondContact O-CG 3.14Å; Q374-K378 PolarHBondContact O-N 3.27Å; K378-I380 VanDerWaalsContact C-N 3.26Å; K378-I380 HydrophobicContact CB-CD1 3.56Å; K378-I380 HydrophobicContact CB-CG1 3.61Å; K378-I380 HydrophobicContact CD-CD1 3.61Å; K378-I380 HydrophobicContact CG-CD1 4.25Å; K378-I380 PolarHBondContact O-N 2.93Å; K378-G412 PolarHBondContact NZ-O 3.34Å
379R79.5Confident82Confident226 Ų22672.6 Ų72.685%0.85333%0.332SS*.THydrogen-bonded Turntrans50.644.8-174.3-60.4-178176.7-177.5-1.4112.8V375V375-R379 VanDerWaalsContact O-CA 3.31Å; V375-R379 WeakPolarHBondContact O-CA 3.34Å; V375-R379 PolarHBondContact O-N 2.75Å
380I77Confident81.4Confident24 Ų2467.4 Ų67.412%0.12331%0.308CS..  trans-83.7130.1-179.1-66.4170.5000108.5V375 K378 T382 Y385 L411V375-I380 HydrophobicContact CG1-CB 4.35Å; V375-I380 WeakPolarHBondContact CG1-O 3.29Å; V375-I380 PolarHBondContact O-N 3.23Å; V375-I380 VanDerWaalsContact O-N 3.11Å; K378-I380 VanDerWaalsContact C-N 3.26Å; K378-I380 HydrophobicContact CB-CD1 3.56Å; K378-I380 HydrophobicContact CB-CG1 3.61Å; K378-I380 HydrophobicContact CD-CD1 3.61Å; K378-I380 HydrophobicContact CG-CD1 4.25Å; K378-I380 PolarHBondContact O-N 2.93Å; I380-T382 HydrophobicContact CG2-CG2 4.29Å; I380-Y385 HydrophobicContact CG2-CD2 4.42Å; I380-Y385 HydrophobicContact CG2-CE2 3.96Å; I380-L411 WeakPolarHBondContact CD1-O 3.43Å; I380-L411 HydrophobicContact CG2-CD1 4.32Å; I380-L411 HydrophobicContact CG2-CD2 3.35Å; I380-L411 HydrophobicContact CG2-CG 4.31Å
381L80.1Confident80.1Confident90 Ų9072.4 Ų72.447%0.47133%0.334SS..  trans-85.1108.3166.3-58.7172.3000106.9P384 Y385 W447L381-P384 HydrophobicContact CB-CG 4.12Å; L381-P384 WeakPolarHBondContact O-CD 3.47Å; L381-Y385 WeakPolarHBondContact O-CD2 3.37Å; L381-Y385 WeakPolarHBondContact O-CE2 3.08Å; L381-W447 HydrophobicContact CB-CH2 4.04Å; L381-W447 HydrophobicContact CB-CZ2 3.66Å; L381-W447 HydrophobicContact CD2-CD2 4.02Å; L381-W447 HydrophobicContact CD2-CE3 4.43Å; L381-W447 HydrophobicContact CD2-CH2 3.69Å; L381-W447 HydrophobicContact CD2-CZ2 3.19Å; L381-W447 HydrophobicContact CD2-CZ3 4.27Å; L381-W447 HydrophobicContact CG-CH2 4.34Å; L381-W447 HydrophobicContact CG-CZ2 3.99Å
382T80Confident78.7Confident0 Ų074.7 Ų74.70%036%0.357CS..Hα-helixtrans-75.8-33.6-171.970.70000112.9V375 I380 Y385 F386 L411 C441 I444 D445V375-T382 HydrophobicContact CB-CG2 4.44Å; V375-T382 HydrophobicContact CG1-CG2 3.81Å; V375-T382 HydrophobicContact CG2-CG2 3.68Å; I380-T382 HydrophobicContact CG2-CG2 4.29Å; T382-Y385 PolarHBondContact O-N 3.33Å; T382-F386 VanDerWaalsContact O-CD2 3.24Å; T382-F386 WeakPolarHBondContact O-CD2 3.31Å; T382-L411 HydrophobicContact CG2-CD1 4.36Å; T382-C441 PolarHBondContact OG1-SG 3.23Å; T382-C441 VanDerWaalsContact OG1-SG 3.33Å; T382-I444 HydrophobicContact CG2-CG2 4.03Å; T382-D445 WeakPolarHBondContact CB-OD2 3.33Å; T382-D445 PolarHBondContact N-OD2 3.14Å; T382-D445 PolarHBondContact OG1-OD2 3.42Å
383Y82Confident76.8Confident38 Ų3879 Ų7915%0.14939%0.394CS..Hα-helixtrans-57.9-47.1-174.2-175.5-97.6000115.2Y385 F386 Q387 Y437 C441 F448Y383-Y385 VanDerWaalsContact C-N 3.29Å; Y383-Y385 PolarHBondContact O-N 3.37Å; Y383-F386 PolarHBondContact O-N 3.47Å; Y383-F386 VanDerWaalsContact O-N 3.15Å; Y383-Q387 PolarHBondContact O-N 3.39Å; Y383-Y437 HydrophobicContact CD2-CD2 4.39Å; Y383-Y437 AromaticContact CD2-CE2 3.9Å; Y383-Y437 HydrophobicContact CD2-CE2 3.9Å; Y383-Y437 HydrophobicContact CE2-CD2 4.4Å; Y383-Y437 AromaticContact CE2-CE2 3.59Å; Y383-Y437 HydrophobicContact CE2-CE2 3.59Å; Y383-C441 HydrophobicContact CD2-CB 4.37Å; Y383-F448 HydrophobicContact CD1-CD2 4.42Å; Y383-F448 AromaticContact CD1-CE2 3.86Å; Y383-F448 HydrophobicContact CD1-CE2 3.86Å; Y383-F448 AromaticContact CD2-CD2 3.92Å; Y383-F448 HydrophobicContact CD2-CD2 3.92Å; Y383-F448 AromaticContact CD2-CE1 3.95Å; Y383-F448 HydrophobicContact CD2-CE1 3.95Å; Y383-F448 AromaticContact CD2-CE2 3.16Å; Y383-F448 HydrophobicContact CD2-CE2 3.16Å; Y383-F448 AromaticContact CD2-CZ 3.18Å; Y383-F448 HydrophobicContact CD2-CZ 3.18Å; Y383-F448 HydrophobicContact CE1-CE2 4.06Å; Y383-F448 HydrophobicContact CE2-CE1 4.22Å; Y383-F448 AromaticContact CE2-CE2 3.41Å; Y383-F448 HydrophobicContact CE2-CE2 3.41Å; Y383-F448 VanDerWaalsContact CE2-CE2 3.41Å; Y383-F448 AromaticContact CE2-CZ 3.2Å; Y383-F448 HydrophobicContact CE2-CZ 3.2Å; Y383-F448 AromaticContact CG-CD2 3.84Å; Y383-F448 HydrophobicContact CG-CD2 3.84Å; Y383-F448 AromaticContact CG-CE2 3.39Å; Y383-F448 HydrophobicContact CG-CE2 3.39Å; Y383-F448 AromaticContact CG-CZ 3.94Å; Y383-F448 HydrophobicContact CG-CZ 3.94Å; Y383-F448 AromaticContact CZ-CE2 3.85Å; Y383-F448 AromaticContact CZ-CZ 3.98Å
384P82.5Confident75.1Confident50 Ų5077 Ų7733%0.32540%0.399SS..Hα-helixtrans-56.7-39.5179-26.135.3000113.6L381 F386 Q387 D388L381-P384 HydrophobicContact CB-CG 4.12Å; L381-P384 WeakPolarHBondContact O-CD 3.47Å; P384-F386 VanDerWaalsContact C-N 3.31Å; P384-F386 PolarHBondContact O-N 3.29Å; P384-Q387 WeakPolarHBondContact O-CB 3.36Å; P384-Q387 PolarHBondContact O-N 2.79Å; P384-D388 PolarHBondContact O-N 3.07Å
385Y83.4Confident74.1Confident85 Ų8581.6 Ų81.633%0.33342%0.419SS..Hα-helixtrans-69.9-28.5-178.9-58.9-78000113.1I380 L381 T382 Y383 Y389 F410 L411I380-Y385 HydrophobicContact CG2-CD2 4.42Å; I380-Y385 HydrophobicContact CG2-CE2 3.96Å; L381-Y385 WeakPolarHBondContact O-CD2 3.37Å; L381-Y385 WeakPolarHBondContact O-CE2 3.08Å; T382-Y385 PolarHBondContact O-N 3.33Å; Y383-Y385 VanDerWaalsContact C-N 3.29Å; Y383-Y385 PolarHBondContact O-N 3.37Å; Y385-Y389 WeakPolarHBondContact O-CD2 3.28Å; Y385-F410 AromaticContact CD1-CD1 3.82Å; Y385-F410 HydrophobicContact CD1-CD1 3.82Å; Y385-F410 AromaticContact CD1-CE1 3.61Å; Y385-F410 HydrophobicContact CD1-CE1 3.61Å; Y385-F410 HydrophobicContact CE1-CD1 4.11Å; Y385-F410 AromaticContact CE1-CE1 3.54Å; Y385-F410 HydrophobicContact CE1-CE1 3.54Å; Y385-L411 HydrophobicContact CD1-CD2 4.13Å; Y385-L411 HydrophobicContact CD2-CD1 4.45Å; Y385-L411 HydrophobicContact CD2-CD2 3.2Å; Y385-L411 HydrophobicContact CD2-CG 4.26Å; Y385-L411 HydrophobicContact CE1-CD2 4.27Å; Y385-L411 HydrophobicContact CE2-CD2 3.36Å; Y385-L411 HydrophobicContact CG-CD2 3.59Å; Y385-L411 HydrophobicContact CG-CG 4.37Å
386F83.7Confident73Confident0 Ų084.2 Ų84.20%044%0.438CS..Hα-helixtrans-78.3-32.6171.9-69.5-66.4000112.2T382 Y383 P384 D388 Y389 D390 I399 F404 V407 L408 Y437 F440 C441T382-F386 VanDerWaalsContact O-CD2 3.24Å; T382-F386 WeakPolarHBondContact O-CD2 3.31Å; Y383-F386 PolarHBondContact O-N 3.47Å; Y383-F386 VanDerWaalsContact O-N 3.15Å; P384-F386 VanDerWaalsContact C-N 3.31Å; P384-F386 PolarHBondContact O-N 3.29Å; F386-D388 VanDerWaalsContact C-N 3.28Å; F386-D388 PolarHBondContact O-N 3.23Å; F386-Y389 PolarHBondContact O-N 2.6Å; F386-Y389 VanDerWaalsContact O-N 3.16Å; F386-D390 PolarHBondContact O-N 2.85Å; F386-I399 HydrophobicContact CD1-CD1 3.35Å; F386-I399 HydrophobicContact CE1-CD1 3.84Å; F386-I399 HydrophobicContact CG-CD1 4.38Å; F386-F404 HydrophobicContact CD1-CD2 4.37Å; F386-F404 AromaticContact CE1-CD2 3.45Å; F386-F404 HydrophobicContact CE1-CD2 3.45Å; F386-F404 VanDerWaalsContact CE1-CD2 3.45Å; F386-F404 AromaticContact CE1-CE2 3.87Å; F386-F404 HydrophobicContact CE1-CE2 3.87Å; F386-F404 HydrophobicContact CE1-CG 4.35Å; F386-F404 AromaticContact CZ-CD2 3.92Å; F386-F404 HydrophobicContact CZ-CD2 3.92Å; F386-F404 AromaticContact CZ-CE2 3.84Å; F386-F404 HydrophobicContact CZ-CE2 3.84Å; F386-V407 HydrophobicContact CD1-CB 3.79Å; F386-V407 HydrophobicContact CD1-CG1 3.56Å; F386-V407 HydrophobicContact CD1-CG2 3.8Å; F386-V407 HydrophobicContact CD2-CG1 4.24Å; F386-V407 HydrophobicContact CE1-CB 3.55Å; F386-V407 HydrophobicContact CE1-CG1 3.4Å; F386-V407 HydrophobicContact CE1-CG2 4.07Å; F386-V407 HydrophobicContact CE2-CG1 4.09Å; F386-V407 HydrophobicContact CG-CG1 4.01Å; F386-V407 HydrophobicContact CZ-CB 4.25Å; F386-V407 HydrophobicContact CZ-CG1 3.68Å; F386-L408 HydrophobicContact CZ-CD2 4.43Å; F386-Y437 HydrophobicContact CB-CD1 4.44Å; F386-Y437 HydrophobicContact CB-CD2 3.3Å; F386-Y437 HydrophobicContact CB-CE2 3.69Å; F386-Y437 HydrophobicContact CB-CG 3.73Å; F386-Y437 HydrophobicContact CD2-CD2 4.35Å; F386-Y437 AromaticContact CG-CD2 3.94Å; F386-Y437 HydrophobicContact CG-CD2 3.94Å; F386-Y437 HydrophobicContact CG-CG 4.14Å; F386-F440 AromaticContact CE2-CD1 3.73Å; F386-F440 HydrophobicContact CE2-CD1 3.73Å; F386-F440 AromaticContact CE2-CE1 3.69Å; F386-F440 HydrophobicContact CE2-CE1 3.69Å; F386-F440 AromaticContact CZ-CD1 3.77Å; F386-F440 HydrophobicContact CZ-CD1 3.77Å; F386-F440 AromaticContact CZ-CE1 3.54Å; F386-F440 HydrophobicContact CZ-CE1 3.54Å; F386-C441 VanDerWaalsContact CD2-SG 3.58Å
387Q80Confident72.5Confident69 Ų6986 Ų8632%0.32243%0.434SS..Hα-helixtrans-61.8-35.8176.7-176.4178.6-16.500112.1Y383 P384 Y389 D390 F395Y383-Q387 PolarHBondContact O-N 3.39Å; P384-Q387 WeakPolarHBondContact O-CB 3.36Å; P384-Q387 PolarHBondContact O-N 2.79Å; Q387-Y389 PolarHBondContact O-N 3.3Å; Q387-Y389 VanDerWaalsContact O-N 3.16Å; Q387-D390 PolarHBondContact O-N 3.03Å; Q387-F395 HydrophobicContact CG-CE1 4.02Å
388D80.6Confident72.2Confident104 Ų10479.8 Ų79.856%0.55641%0.407SS*.THydrogen-bonded Turntrans-58.6-27.2176.2-68-16000113.1P384 F386P384-D388 PolarHBondContact O-N 3.07Å; F386-D388 VanDerWaalsContact C-N 3.28Å; F386-D388 PolarHBondContact O-N 3.23Å
389Y74.1Confident72.3Confident86 Ų8674.8 Ų74.834%0.33739%0.386SS..THydrogen-bonded Turntrans-93.2-16.6177-71.5-86.6000114Y385 F386 Q387 M391 Q403 V407Y385-Y389 WeakPolarHBondContact O-CD2 3.28Å; F386-Y389 PolarHBondContact O-N 2.6Å; F386-Y389 VanDerWaalsContact O-N 3.16Å; Q387-Y389 PolarHBondContact O-N 3.3Å; Q387-Y389 VanDerWaalsContact O-N 3.16Å; Y389-M391 VanDerWaalsContact C-N 3.27Å; Y389-M391 PolarHBondContact O-N 3.48Å; Y389-Q403 HydrophobicContact CD1-CB 3.95Å; Y389-Q403 HydrophobicContact CD1-CG 3.67Å; Y389-Q403 HydrophobicContact CE1-CG 4.32Å; Y389-Q403 HydrophobicContact CG-CB 4.19Å; Y389-Q403 HydrophobicContact CG-CG 4.3Å; Y389-V407 HydrophobicContact CD2-CG2 3.21Å; Y389-V407 HydrophobicContact CE2-CG2 3.23Å; Y389-V407 HydrophobicContact CG-CG2 4.21Å
390D72.1Confident72.6Confident11 Ų1166.7 Ų66.76%0.05936%0.361CS..  trans-91.126.6175.7-164.521.1000112.1F386 Q387 G392 S396 R397 I399 Y437F386-D390 PolarHBondContact O-N 2.85Å; Q387-D390 PolarHBondContact O-N 3.03Å; D390-G392 PolarHBondContact O-N 3.43Å; D390-S396 PolarHBondContact OD1-N 3.31Å; D390-S396 PolarHBondContact OD1-OG 2.8Å; D390-S396 PolarHBondContact OD2-N 3.37Å; D390-R397 WeakPolarHBondContact OD2-CA 3.4Å; D390-R397 PolarHBondContact OD2-N 3.4Å; D390-I399 HydrophobicContact CB-CG2 4.32Å; D390-Y437 HydrophobicContact CB-CE1 3.83Å; D390-Y437 WeakPolarHBondContact OD2-CE1 3.31Å; D390-Y437 PolarHBondContact OD2-OH 2.88Å; D390-Y437 VanDerWaalsContact OD2-OH 3.05Å
391M58.7Low72.9Confident164 Ų16469.1 Ų69.181%0.80837%0.374SS*.  trans-78.826.8178.4-66.1-144.1-58.500114.4Y389Y389-M391 VanDerWaalsContact C-N 3.27Å; Y389-M391 PolarHBondContact O-N 3.48Å
392G54.8Low73.1Confident49 Ų4968.7 Ų68.751%0.50538%0.376SS..SBendtrans-83.5160.7168.400000111.9D390 C394D390-G392 PolarHBondContact O-N 3.43Å; G392-C394 CarbonylContact O-C 3.6Å; G392-C394 PolarHBondContact O-N 3.49Å
393S46.1Very low73.4Confident138 Ų13871.1 Ų71.197%0.96539%0.387SS*.SBendtrans-54.43.9-171-68.30000118.5
394C51Low73.7Confident95 Ų9569.3 Ų69.364%0.64238%0.38SS*.SBendtrans-141129.6165-520000106.9G392 S396G392-C394 CarbonylContact O-C 3.6Å; G392-C394 PolarHBondContact O-N 3.49Å; C394-S396 WeakPolarHBondContact O-CB 3.4Å; C394-S396 PolarHBondContact O-N 3.01Å
395F60.5Low73.9Confident146 Ų14670.1 Ų70.164%0.6438%0.379SS*.  trans-56.180.4162.9-87.4-92.4000108.9Q387 R397Q387-F395 HydrophobicContact CG-CE1 4.02Å; F395-R397 PolarHBondContact O-N 3.28Å
396S62.9Low74Confident60 Ų6073.5 Ų73.542%0.4239%0.392SS..  trans-79.7-10.8-166.472.50000111.1D390 C394 S398D390-S396 PolarHBondContact OD1-N 3.31Å; D390-S396 PolarHBondContact OD1-OG 2.8Å; D390-S396 PolarHBondContact OD2-N 3.37Å; C394-S396 WeakPolarHBondContact O-CB 3.4Å; C394-S396 PolarHBondContact O-N 3.01Å; S396-S398 WeakPolarHBondContact CB-OG 3.36Å; S396-S398 PolarHBondContact O-N 3.02Å; S396-S398 VanDerWaalsContact O-N 3.13Å; S396-S398 PolarHBondContact OG-N 2.77Å; S396-S398 PolarHBondContact OG-O 3.37Å; S396-S398 VanDerWaalsContact OG-O 3.09Å; S396-S398 PolarHBondContact OG-OG 2.9Å
397R72.3Confident74.1Confident111 Ų11173.5 Ų73.542%0.41939%0.392SS..SBendtrans52.126.2-169.7-60.9-178.1177.6-166.1-4.9111.3D390 F395 N436 Y437 A450D390-R397 WeakPolarHBondContact OD2-CA 3.4Å; D390-R397 PolarHBondContact OD2-N 3.4Å; F395-R397 PolarHBondContact O-N 3.28Å; R397-N436 WeakPolarHBondContact O-CA 3.36Å; R397-N436 PolarHBondContact O-OD1 3.35Å; R397-Y437 HydrophobicContact CB-CE1 4.42Å; R397-Y437 WeakPolarHBondContact O-CD1 3.38Å; R397-Y437 PolarHBondContact O-N 3.17Å; R397-A450 PolarHBondContact NH1-O 2.94Å; R397-A450 PolarHBondContact NH2-O 2.77Å; R397-A450 VanDerWaalsContact NH2-O 3.11Å
398S76.3Confident74.4Confident23 Ų2370.4 Ų70.416%0.16138%0.377CS..EExtended strand (participates in β ladder)trans-136.2134.3-174.973.80000111.5S396 I435S396-S398 WeakPolarHBondContact CB-OG 3.36Å; S396-S398 PolarHBondContact O-N 3.02Å; S396-S398 VanDerWaalsContact O-N 3.13Å; S396-S398 PolarHBondContact OG-N 2.77Å; S396-S398 PolarHBondContact OG-O 3.37Å; S396-S398 VanDerWaalsContact OG-O 3.09Å; S396-S398 PolarHBondContact OG-OG 2.9Å; S398-I435 VanDerWaalsContact CA-O 3.24Å; S398-I435 WeakPolarHBondContact CA-O 3.4Å
399I81.9Confident74.6Confident2 Ų272 Ų721%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-129.9161.6179.260.7179.2000110.5F386 D390 Q403 F404 C434 I435 Y437F386-I399 HydrophobicContact CD1-CD1 3.35Å; F386-I399 HydrophobicContact CE1-CD1 3.84Å; F386-I399 HydrophobicContact CG-CD1 4.38Å; D390-I399 HydrophobicContact CB-CG2 4.32Å; I399-Q403 HydrophobicContact CB-CB 4.18Å; I399-F404 HydrophobicContact CD1-CB 3.78Å; I399-F404 HydrophobicContact CD1-CD2 4.02Å; I399-F404 HydrophobicContact CD1-CG 4.41Å; I399-F404 HydrophobicContact CG1-CB 4.18Å; I399-C434 CarbonylContact O-C 3.59Å; I399-C434 VanDerWaalsContact O-CA 3.31Å; I399-C434 WeakPolarHBondContact O-CA 3.19Å; I399-C434 WeakPolarHBondContact O-CB 3.28Å; I399-I435 HydrophobicContact CG1-CB 4.33Å; I399-I435 PolarHBondContact N-O 2.78Å; I399-I435 PolarHBondContact O-N 2.87Å; I399-Y437 HydrophobicContact CB-CD1 4.47Å; I399-Y437 HydrophobicContact CD1-CD1 4.43Å; I399-Y437 HydrophobicContact CD1-CG 4.49Å; I399-Y437 HydrophobicContact CG1-CD1 4.23Å; I399-Y437 HydrophobicContact CG2-CD1 3.74Å; I399-Y437 HydrophobicContact CG2-CE1 3.98Å
400T84Confident75.1Confident56 Ų5675 Ų7534%0.34440%0.396SS..  trans-73.5158.5176.871.70000111.5T402 Q403 F404T400-T402 PolarHBondContact O-N 3.25Å; T400-T402 PolarHBondContact OG1-OG1 2.79Å; T400-T402 VanDerWaalsContact OG1-OG1 3.1Å; T400-Q403 PolarHBondContact O-N 3.37Å; T400-Q403 VanDerWaalsContact O-N 3.14Å; T400-Q403 WeakPolarHBondContact OG1-CB 3.41Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.47Å; T400-Q403 PolarHBondContact OG1-N 3.27Å; T400-Q403 PolarHBondContact OG1-OE1 3.38Å; T400-F404 PolarHBondContact O-N 2.73Å
401N84.1Confident75.6Confident74 Ų7475 Ų7540%0.39640%0.396SS..Hα-helixtrans-55-38.6176.3-64.4-26.9000112.5E405 G433 I435N401-E405 PolarHBondContact O-N 3.36Å; N401-E405 VanDerWaalsContact O-N 3.08Å; N401-G433 PolarHBondContact OD1-O 3.38Å; N401-I435 HydrophobicContact CB-CD1 4.41Å; N401-I435 VanDerWaalsContact OD1-CD1 3.26Å; N401-I435 WeakPolarHBondContact OD1-CD1 3.4Å; N401-I435 WeakPolarHBondContact OD1-CG1 3.34Å
402T84.5Confident76.6Confident82 Ų8268.4 Ų68.450%0.50337%0.37SS..Hα-helixtrans-73.1-34.4179.453.30000112.7T400 R406T400-T402 PolarHBondContact O-N 3.25Å; T400-T402 PolarHBondContact OG1-OG1 2.79Å; T400-T402 VanDerWaalsContact OG1-OG1 3.1Å; T402-R406 VanDerWaalsContact O-CG 3.28Å; T402-R406 WeakPolarHBondContact O-CG 3.48Å; T402-R406 PolarHBondContact O-N 3.34Å
403Q86.9Confident77.7Confident50 Ų5066.1 Ų66.123%0.23435%0.347CS..Hα-helixtrans-67.1-43.8173.8-71.9169.4-24.400110.9Y389 I399 T400 E405 R406 V407Y389-Q403 HydrophobicContact CD1-CB 3.95Å; Y389-Q403 HydrophobicContact CD1-CG 3.67Å; Y389-Q403 HydrophobicContact CE1-CG 4.32Å; Y389-Q403 HydrophobicContact CG-CB 4.19Å; Y389-Q403 HydrophobicContact CG-CG 4.3Å; I399-Q403 HydrophobicContact CB-CB 4.18Å; T400-Q403 PolarHBondContact O-N 3.37Å; T400-Q403 VanDerWaalsContact O-N 3.14Å; T400-Q403 WeakPolarHBondContact OG1-CB 3.41Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.47Å; T400-Q403 PolarHBondContact OG1-N 3.27Å; T400-Q403 PolarHBondContact OG1-OE1 3.38Å; Q403-E405 VanDerWaalsContact C-N 3.35Å; Q403-E405 PolarHBondContact O-N 2.62Å; Q403-R406 PolarHBondContact O-N 3.35Å; Q403-V407 WeakPolarHBondContact O-CG2 3.37Å; Q403-V407 PolarHBondContact O-N 3.24Å
404F87.4Confident78.8Confident0 Ų064.8 Ų64.80%033%0.329CS..Hα-helixtrans-59-44.5175.1-177-101.2000111.9F386 I399 T400 R406 V407 L408 L423 I435 F440F386-F404 HydrophobicContact CD1-CD2 4.37Å; F386-F404 AromaticContact CE1-CD2 3.45Å; F386-F404 HydrophobicContact CE1-CD2 3.45Å; F386-F404 VanDerWaalsContact CE1-CD2 3.45Å; F386-F404 AromaticContact CE1-CE2 3.87Å; F386-F404 HydrophobicContact CE1-CE2 3.87Å; F386-F404 HydrophobicContact CE1-CG 4.35Å; F386-F404 AromaticContact CZ-CD2 3.92Å; F386-F404 HydrophobicContact CZ-CD2 3.92Å; F386-F404 AromaticContact CZ-CE2 3.84Å; F386-F404 HydrophobicContact CZ-CE2 3.84Å; I399-F404 HydrophobicContact CD1-CB 3.78Å; I399-F404 HydrophobicContact CD1-CD2 4.02Å; I399-F404 HydrophobicContact CD1-CG 4.41Å; I399-F404 HydrophobicContact CG1-CB 4.18Å; T400-F404 PolarHBondContact O-N 2.73Å; F404-R406 PolarHBondContact O-N 3.25Å; F404-V407 PolarHBondContact O-N 3.2Å; F404-L408 HydrophobicContact CD1-CD1 3.61Å; F404-L408 HydrophobicContact CE1-CD1 3.28Å; F404-L408 HydrophobicContact CE1-CG 4.33Å; F404-L408 HydrophobicContact CE2-CD1 4.43Å; F404-L408 HydrophobicContact CG-CD1 4.34Å; F404-L408 HydrophobicContact CZ-CD1 3.74Å; F404-L408 HydrophobicContact CZ-CG 4.44Å; F404-L408 WeakPolarHBondContact O-CG 3.18Å; F404-L408 PolarHBondContact O-N 2.66Å; F404-L408 VanDerWaalsContact O-N 3.08Å; F404-L423 HydrophobicContact CE1-CB 4.22Å; F404-I435 HydrophobicContact CB-CD1 3.44Å; F404-I435 VanDerWaalsContact CB-CD1 3.44Å; F404-I435 HydrophobicContact CD1-CD1 3.65Å; F404-I435 HydrophobicContact CD2-CD1 4.18Å; F404-I435 HydrophobicContact CD2-CG2 3.87Å; F404-I435 HydrophobicContact CE1-CD1 4.41Å; F404-I435 HydrophobicContact CE2-CG2 4.09Å; F404-I435 HydrophobicContact CG-CD1 3.51Å; F404-I435 HydrophobicContact CG-CG2 4.3Å; F404-F440 HydrophobicContact CE2-CB 4.43Å; F404-F440 AromaticContact CE2-CD1 3.66Å; F404-F440 HydrophobicContact CE2-CD1 3.66Å; F404-F440 HydrophobicContact CE2-CD2 4.01Å; F404-F440 AromaticContact CE2-CE1 3.74Å; F404-F440 HydrophobicContact CE2-CE1 3.74Å; F404-F440 HydrophobicContact CE2-CE2 4.09Å; F404-F440 AromaticContact CE2-CG 3.78Å; F404-F440 HydrophobicContact CE2-CG 3.78Å; F404-F440 AromaticContact CE2-CZ 3.93Å; F404-F440 HydrophobicContact CE2-CZ 3.93Å; F404-F440 HydrophobicContact CZ-CD1 4.19Å; F404-F440 AromaticContact CZ-CD2 3.82Å; F404-F440 HydrophobicContact CZ-CD2 3.82Å; F404-F440 AromaticContact CZ-CE1 3.98Å; F404-F440 HydrophobicContact CZ-CE1 3.98Å; F404-F440 AromaticContact CZ-CE2 3.61Å; F404-F440 HydrophobicContact CZ-CE2 3.61Å; F404-F440 HydrophobicContact CZ-CG 4.09Å; F404-F440 AromaticContact CZ-CZ 3.66Å; F404-F440 HydrophobicContact CZ-CZ 3.66Å
405E86.1Confident80Confident67 Ų6762.1 Ų62.131%0.31331%0.308SS..Hα-helixtrans-61.2-42175.4-171.3176.1-178.600112.2N401 Q403 L408 H409 K417N401-E405 PolarHBondContact O-N 3.36Å; N401-E405 VanDerWaalsContact O-N 3.08Å; Q403-E405 VanDerWaalsContact C-N 3.35Å; Q403-E405 PolarHBondContact O-N 2.62Å; E405-L408 PolarHBondContact O-N 3.48Å; E405-H409 WeakPolarHBondContact O-CB 3.34Å; E405-H409 PolarHBondContact O-N 3.45Å; E405-K417 VanDerWaalsContact OE1-CE 3.28Å; E405-K417 WeakPolarHBondContact OE1-CE 3.4Å
406R85.3Confident81Confident156 Ų15656 Ų5659%0.58928%0.283SS*.Hα-helixtrans-63.9-41.9176.5-74.5173.7-176.7-178.81112.8T402 Q403 F404 H409 F410T402-R406 VanDerWaalsContact O-CG 3.28Å; T402-R406 WeakPolarHBondContact O-CG 3.48Å; T402-R406 PolarHBondContact O-N 3.34Å; Q403-R406 PolarHBondContact O-N 3.35Å; F404-R406 PolarHBondContact O-N 3.25Å; R406-H409 PolarHBondContact O-N 3.4Å; R406-F410 WeakPolarHBondContact O-CB 3.45Å; R406-F410 PolarHBondContact O-N 3.48Å
407V87Confident81.9Confident1 Ų153.8 Ų53.81%0.00627%0.266CS..Hα-helixtrans-64.2-45.1177.9174.90000110.8F386 Y389 Q403 F404 H409 F410 L411F386-V407 HydrophobicContact CD1-CB 3.79Å; F386-V407 HydrophobicContact CD1-CG1 3.56Å; F386-V407 HydrophobicContact CD1-CG2 3.8Å; F386-V407 HydrophobicContact CD2-CG1 4.24Å; F386-V407 HydrophobicContact CE1-CB 3.55Å; F386-V407 HydrophobicContact CE1-CG1 3.4Å; F386-V407 HydrophobicContact CE1-CG2 4.07Å; F386-V407 HydrophobicContact CE2-CG1 4.09Å; F386-V407 HydrophobicContact CG-CG1 4.01Å; F386-V407 HydrophobicContact CZ-CB 4.25Å; F386-V407 HydrophobicContact CZ-CG1 3.68Å; Y389-V407 HydrophobicContact CD2-CG2 3.21Å; Y389-V407 HydrophobicContact CE2-CG2 3.23Å; Y389-V407 HydrophobicContact CG-CG2 4.21Å; Q403-V407 WeakPolarHBondContact O-CG2 3.37Å; Q403-V407 PolarHBondContact O-N 3.24Å; F404-V407 PolarHBondContact O-N 3.2Å; V407-H409 VanDerWaalsContact C-N 3.33Å; V407-H409 PolarHBondContact O-N 3.13Å; V407-F410 PolarHBondContact O-N 3.42Å; V407-L411 HydrophobicContact CG1-CD1 3.89Å; V407-L411 HydrophobicContact CG1-CG 4.3Å; V407-L411 WeakPolarHBondContact O-CG 3.35Å; V407-L411 PolarHBondContact O-N 3.35Å
408L86.2Confident82.4Confident4 Ų451.2 Ų51.22%0.02126%0.259CS..Hα-helixtrans-61.7-42.3178.2-69169.5000111.9F386 F404 E405 L411 G412 L413 L415 F440F386-L408 HydrophobicContact CZ-CD2 4.43Å; F404-L408 HydrophobicContact CD1-CD1 3.61Å; F404-L408 HydrophobicContact CE1-CD1 3.28Å; F404-L408 HydrophobicContact CE1-CG 4.33Å; F404-L408 HydrophobicContact CE2-CD1 4.43Å; F404-L408 HydrophobicContact CG-CD1 4.34Å; F404-L408 HydrophobicContact CZ-CD1 3.74Å; F404-L408 HydrophobicContact CZ-CG 4.44Å; F404-L408 WeakPolarHBondContact O-CG 3.18Å; F404-L408 PolarHBondContact O-N 2.66Å; F404-L408 VanDerWaalsContact O-N 3.08Å; E405-L408 PolarHBondContact O-N 3.48Å; L408-L411 PolarHBondContact O-N 2.99Å; L408-G412 PolarHBondContact O-N 2.84Å; L408-L413 HydrophobicContact CD2-CB 4.38Å; L408-L413 HydrophobicContact CD2-CD1 3.87Å; L408-L413 CarbonylContact O-C 3.59Å; L408-L413 WeakPolarHBondContact O-CB 3.29Å; L408-L413 PolarHBondContact O-N 2.88Å; L408-L415 HydrophobicContact CD1-CD1 3.79Å; L408-L415 HydrophobicContact CD2-CD1 4.28Å; L408-L415 HydrophobicContact CG-CD1 4.49Å; L408-F440 HydrophobicContact CD2-CE1 4.18Å; L408-F440 HydrophobicContact CD2-CZ 3.91Å
409H85Confident82.8Confident137 Ų13750.5 Ų50.563%0.63425%0.253SS*.Hα-helixtrans-62.9-43174.1-175.2-91.1000111.9E405 R406 V407 L411 G412E405-H409 WeakPolarHBondContact O-CB 3.34Å; E405-H409 PolarHBondContact O-N 3.45Å; R406-H409 PolarHBondContact O-N 3.4Å; V407-H409 VanDerWaalsContact C-N 3.33Å; V407-H409 PolarHBondContact O-N 3.13Å; H409-L411 VanDerWaalsContact C-N 3.35Å; H409-L411 PolarHBondContact O-N 2.98Å; H409-G412 PolarHBondContact O-N 2.91Å; H409-G412 VanDerWaalsContact O-N 3.09Å
410F84.4Confident83Confident148 Ų14850.8 Ų50.865%0.64926%0.255SS*.Hα-helixtrans-63.3-37.8178-175.8-98000112.9Y385 R406 V407 G412Y385-F410 AromaticContact CD1-CD1 3.82Å; Y385-F410 HydrophobicContact CD1-CD1 3.82Å; Y385-F410 AromaticContact CD1-CE1 3.61Å; Y385-F410 HydrophobicContact CD1-CE1 3.61Å; Y385-F410 HydrophobicContact CE1-CD1 4.11Å; Y385-F410 AromaticContact CE1-CE1 3.54Å; Y385-F410 HydrophobicContact CE1-CE1 3.54Å; R406-F410 WeakPolarHBondContact O-CB 3.45Å; R406-F410 PolarHBondContact O-N 3.48Å; V407-F410 PolarHBondContact O-N 3.42Å; F410-G412 PolarHBondContact O-N 3.04Å; F410-G412 VanDerWaalsContact O-N 3.15Å
411L82.7Confident83Confident11 Ų1153.2 Ų53.26%0.05826%0.258CS..THydrogen-bonded Turntrans-71.1-2.4175.7-69.6176.2000113.7I380 T382 Y385 V407 L408 H409 L413I380-L411 WeakPolarHBondContact CD1-O 3.43Å; I380-L411 HydrophobicContact CG2-CD1 4.32Å; I380-L411 HydrophobicContact CG2-CD2 3.35Å; I380-L411 HydrophobicContact CG2-CG 4.31Å; T382-L411 HydrophobicContact CG2-CD1 4.36Å; Y385-L411 HydrophobicContact CD1-CD2 4.13Å; Y385-L411 HydrophobicContact CD2-CD1 4.45Å; Y385-L411 HydrophobicContact CD2-CD2 3.2Å; Y385-L411 HydrophobicContact CD2-CG 4.26Å; Y385-L411 HydrophobicContact CE1-CD2 4.27Å; Y385-L411 HydrophobicContact CE2-CD2 3.36Å; Y385-L411 HydrophobicContact CG-CD2 3.59Å; Y385-L411 HydrophobicContact CG-CG 4.37Å; V407-L411 HydrophobicContact CG1-CD1 3.89Å; V407-L411 HydrophobicContact CG1-CG 4.3Å; V407-L411 WeakPolarHBondContact O-CG 3.35Å; V407-L411 PolarHBondContact O-N 3.35Å; L408-L411 PolarHBondContact O-N 2.99Å; H409-L411 VanDerWaalsContact C-N 3.35Å; H409-L411 PolarHBondContact O-N 2.98Å; L411-L413 HydrophobicContact CB-CD1 3.91Å; L411-L413 HydrophobicContact CB-CG 3.89Å; L411-L413 HydrophobicContact CD1-CD1 4.01Å; L411-L413 PolarHBondContact O-N 2.93Å
412G79.6Confident83Confident26 Ų2650.2 Ų50.227%0.26824%0.241SC..THydrogen-bonded Turntrans63.725.1-172.800000112.4K378 L408 H409 F410 N414K378-G412 PolarHBondContact NZ-O 3.34Å; L408-G412 PolarHBondContact O-N 2.84Å; H409-G412 PolarHBondContact O-N 2.91Å; H409-G412 VanDerWaalsContact O-N 3.09Å; F410-G412 PolarHBondContact O-N 3.04Å; F410-G412 VanDerWaalsContact O-N 3.15Å; G412-N414 VanDerWaalsContact C-N 3.32Å; G412-N414 PolarHBondContact O-N 3.45Å
413L77.3Confident83.1Confident2 Ų246.3 Ų46.31%0.0122%0.217CC..  trans-89.777.7170.1-60.9171.9000106.3I371 Q374 V375 L408 L411 L415I371-L413 HydrophobicContact CG2-CD1 3.89Å; I371-L413 HydrophobicContact CG2-CD2 4.4Å; Q374-L413 HydrophobicContact CB-CD2 3.67Å; V375-L413 HydrophobicContact CG2-CD1 4.12Å; V375-L413 HydrophobicContact CG2-CD2 4.18Å; L408-L413 HydrophobicContact CD2-CB 4.38Å; L408-L413 HydrophobicContact CD2-CD1 3.87Å; L408-L413 CarbonylContact O-C 3.59Å; L408-L413 WeakPolarHBondContact O-CB 3.29Å; L408-L413 PolarHBondContact O-N 2.88Å; L411-L413 HydrophobicContact CB-CD1 3.91Å; L411-L413 HydrophobicContact CB-CG 3.89Å; L411-L413 HydrophobicContact CD1-CD1 4.01Å; L411-L413 PolarHBondContact O-N 2.93Å; L413-L415 PolarHBondContact O-N 2.7Å
414N69.4Low82.9Confident110 Ų11044.4 Ų44.459%0.58821%0.209SC*.  trans-72.178.3-178.6-73.7-26.7000109.8G412G412-N414 VanDerWaalsContact C-N 3.32Å; G412-N414 PolarHBondContact O-N 3.45Å
415L76Confident82.6Confident38 Ų3850.9 Ų50.920%0.19923%0.234CC..  trans-76159.1165.7-68.6166.1000109L367 I371 L408 L413 L423L367-L415 HydrophobicContact CD2-CD2 4.01Å; I371-L415 HydrophobicContact CD1-CD1 3.72Å; I371-L415 HydrophobicContact CD1-CD2 4.24Å; I371-L415 HydrophobicContact CD1-CG 4.49Å; I371-L415 HydrophobicContact CG1-CD1 4.22Å; I371-L415 HydrophobicContact CG1-CD2 4.2Å; L408-L415 HydrophobicContact CD1-CD1 3.79Å; L408-L415 HydrophobicContact CD2-CD1 4.28Å; L408-L415 HydrophobicContact CG-CD1 4.49Å; L413-L415 PolarHBondContact O-N 2.7Å; L415-L423 HydrophobicContact CD1-CD1 3.63Å
416S81.5Confident82.4Confident18 Ų1849.4 Ų49.413%0.12623%0.226CC..  trans-79170.1175.6-169.50000109.6K224 D225 C420K224-S416 VanDerWaalsContact CA-OG 3.22Å; K224-S416 WeakPolarHBondContact CA-OG 3.33Å; K224-S416 WeakPolarHBondContact CB-OG 3.4Å; K224-S416 PolarHBondContact O-OG 2.92Å; D225-S416 WeakPolarHBondContact CA-OG 3.38Å; D225-S416 WeakPolarHBondContact CB-OG 3.38Å; D225-S416 VanDerWaalsContact CG-C 3.44Å; D225-S416 PolarHBondContact N-OG 3.21Å; D225-S416 VanDerWaalsContact N-OG 3.13Å; D225-S416 WeakPolarHBondContact OD1-CB 3.48Å; D225-S416 PolarHBondContact OD1-OG 3.5Å; D225-S416 VanDerWaalsContact OD1-OG 3.09Å; D225-S416 WeakPolarHBondContact OD2-CA 3.25Å; D225-S416 WeakPolarHBondContact OD2-CB 3.34Å; D225-S416 PolarHBondContact OD2-OG 3.48Å; S416-C420 WeakPolarHBondContact O-CB 3.5Å; S416-C420 PolarHBondContact O-N 2.73Å; S416-C420 VanDerWaalsContact O-N 3.1Å
417K81.5Confident82.3Confident14 Ų1442.3 Ų42.36%0.06120%0.2CC..Hα-helixtrans-70.2-56174.8-97.8-159.9170.5162.60120.5D218 T221 L222 D225 E405 C420 R421D218-K417 PolarHBondContact O-NZ 3.09Å; D218-K417 IonicContact OD1-NZ 2.84Å; D218-K417 PolarHBondContact OD1-NZ 3.03Å; T221-K417 WeakPolarHBondContact O-CB 3.24Å; T221-K417 WeakPolarHBondContact O-CD 3.5Å; T221-K417 WeakPolarHBondContact O-CG 3.44Å; T221-K417 WeakPolarHBondContact OG1-CE 3.37Å; T221-K417 PolarHBondContact OG1-NZ 2.97Å; L222-K417 HydrophobicContact CB-CD 4.08Å; L222-K417 HydrophobicContact CG-CD 3.75Å; D225-K417 HydrophobicContact CB-CB 4.46Å; D225-K417 WeakPolarHBondContact OD2-CA 3.13Å; D225-K417 PolarHBondContact OD2-N 3.11Å; E405-K417 VanDerWaalsContact OE1-CE 3.28Å; E405-K417 WeakPolarHBondContact OE1-CE 3.4Å; K417-C420 CarbonylContact O-C 3.54Å; K417-C420 WeakPolarHBondContact O-CB 3.48Å; K417-C420 PolarHBondContact O-N 3.23Å; K417-R421 VanDerWaalsContact O-CG 3.26Å; K417-R421 WeakPolarHBondContact O-CG 3.42Å; K417-R421 PolarHBondContact O-N 3.39Å
418E82.8Confident81.9Confident57 Ų5743.4 Ų43.427%0.26621%0.208SC..Hα-helixtrans-52.8-56.1165.4-46.9165.2-152.900118.9D225 K226 N227 C420 R421 R422D225-E418 VanDerWaalsContact C-OE2 3.28Å; D225-E418 HydrophobicContact CB-CB 3.38Å; D225-E418 HydrophobicContact CB-CG 3.59Å; D225-E418 VanDerWaalsContact CG-C 3.43Å; D225-E418 VanDerWaalsContact CG-CB 3.46Å; D225-E418 WeakPolarHBondContact O-CB 3.29Å; D225-E418 VanDerWaalsContact O-CG 3.26Å; D225-E418 WeakPolarHBondContact O-CG 3.18Å; D225-E418 WeakPolarHBondContact OD2-CA 3.48Å; D225-E418 PolarHBondContact OD2-N 2.88Å; K226-E418 VanDerWaalsContact CA-CD 3.48Å; K226-E418 VanDerWaalsContact CA-OE1 3.31Å; K226-E418 WeakPolarHBondContact CA-OE1 3.48Å; K226-E418 WeakPolarHBondContact CA-OE2 3.45Å; K226-E418 VanDerWaalsContact N-CD 3.26Å; K226-E418 PolarHBondContact N-OE1 3.26Å; K226-E418 PolarHBondContact N-OE2 3.33Å; N227-E418 PolarHBondContact N-OE2 2.91Å; E418-C420 PolarHBondContact O-N 3.24Å; E418-R421 CarbonylContact O-C 3.58Å; E418-R421 VanDerWaalsContact O-CA 3.26Å; E418-R421 WeakPolarHBondContact O-CA 3.49Å; E418-R421 VanDerWaalsContact O-CB 3.25Å; E418-R421 WeakPolarHBondContact O-CB 3.11Å; E418-R421 PolarHBondContact O-N 3.12Å; E418-R422 WeakPolarHBondContact O-CG 3.47Å; E418-R422 PolarHBondContact O-N 3.12Å; E418-R422 IonicContact OE2-CZ 2.73Å; E418-R422 IonicContact OE2-NH1 3.61Å; E418-R422 IonicContact OE2-NH2 2.77Å; E418-R422 PolarHBondContact OE2-NH2 3.23Å
419D86.1Confident81.1Confident8 Ų844.4 Ų44.44%0.04321%0.214CC..Hα-helixtrans-41.2-45.7158.9-73.2-16.9000111.3D225 R363 L367 R422 L423D225-D419 WeakPolarHBondContact OD1-CB 3.22Å; D225-D419 PolarHBondContact OD1-N 3.33Å; D225-D419 VanDerWaalsContact OD2-CA 3.32Å; D225-D419 WeakPolarHBondContact OD2-CA 3.2Å; D225-D419 VanDerWaalsContact OD2-CB 3.25Å; D225-D419 WeakPolarHBondContact OD2-CB 3.43Å; D225-D419 PolarHBondContact OD2-N 3.42Å; R363-D419 IonicContact CZ-OD1 3.55Å; R363-D419 IonicContact CZ-OD2 3.71Å; R363-D419 IonicContact NE-OD1 3.05Å; R363-D419 PolarHBondContact NE-OD1 3.46Å; R363-D419 IonicContact NE-OD2 3.39Å; R363-D419 IonicContact NH2-OD1 2.64Å; R363-D419 IonicContact NH2-OD2 3.54Å; R363-D419 PolarHBondContact NH2-OD2 2.91Å; L367-D419 HydrophobicContact CD1-CB 3.51Å; L367-D419 HydrophobicContact CD2-CB 3.97Å; L367-D419 WeakPolarHBondContact CD2-OD2 3.47Å; L367-D419 HydrophobicContact CG-CB 4.38Å; D419-R422 VanDerWaalsContact N-NH1 3.18Å; D419-R422 PolarHBondContact O-N 3.38Å; D419-R422 IonicContact OD1-CZ 2.8Å; D419-R422 IonicContact OD1-NH1 2.7Å; D419-R422 PolarHBondContact OD1-NH1 3.09Å; D419-L423 WeakPolarHBondContact O-CB 3.45Å; D419-L423 WeakPolarHBondContact O-CG 3.33Å; D419-L423 PolarHBondContact O-N 2.89Å
420C84.8Confident80.1Confident7 Ų742.5 Ų42.55%0.04721%0.214CC..Hα-helixtrans-62.9-44170.2-174.90000111.1S416 K417 E418 R422 L423 C424S416-C420 WeakPolarHBondContact O-CB 3.5Å; S416-C420 PolarHBondContact O-N 2.73Å; S416-C420 VanDerWaalsContact O-N 3.1Å; K417-C420 CarbonylContact O-C 3.54Å; K417-C420 WeakPolarHBondContact O-CB 3.48Å; K417-C420 PolarHBondContact O-N 3.23Å; E418-C420 PolarHBondContact O-N 3.24Å; C420-R422 PolarHBondContact O-N 3.23Å; C420-L423 PolarHBondContact O-N 3.2Å; C420-C424 WeakPolarHBondContact O-CB 3.2Å; C420-C424 PolarHBondContact O-N 2.83Å; C420-C424 PolarHBondContact O-SG 2.94Å
421R84.5Confident78.8Confident107 Ų10740.6 Ų40.640%0.40421%0.208SC..Hα-helixtrans-63.5-34.7174.6-70164.7178.3169.1-0.9113.3L222 K417 E418 C424 R425L222-R421 VanDerWaalsContact CD2-NH1 3.26Å; L222-R421 VanDerWaalsContact CD2-NH2 3.27Å; K417-R421 VanDerWaalsContact O-CG 3.26Å; K417-R421 WeakPolarHBondContact O-CG 3.42Å; K417-R421 PolarHBondContact O-N 3.39Å; E418-R421 CarbonylContact O-C 3.58Å; E418-R421 VanDerWaalsContact O-CA 3.26Å; E418-R421 WeakPolarHBondContact O-CA 3.49Å; E418-R421 VanDerWaalsContact O-CB 3.25Å; E418-R421 WeakPolarHBondContact O-CB 3.11Å; E418-R421 PolarHBondContact O-N 3.12Å; R421-C424 PolarHBondContact O-N 3.14Å; R421-R425 WeakPolarHBondContact O-CG 3.27Å; R421-R425 PolarHBondContact O-N 2.65Å
422R84.1Confident78Confident11 Ų1143.1 Ų43.14%0.04222%0.222CC..Hα-helixtrans-66.6-47.5176.3-72.4177.9-173.191.626.6110.1D225 N227 I228 D360 V364 E418 D419 C420 R425 K426D225-R422 PolarHBondContact O-NH1 2.98Å; D225-R422 IonicContact OD1-NH1 2.68Å; N227-R422 PolarHBondContact O-NE 3.49Å; N227-R422 VanDerWaalsContact O-NE 3.07Å; N227-R422 PolarHBondContact O-NH1 3.42Å; N227-R422 PolarHBondContact O-NH2 3.14Å; I228-R422 VanDerWaalsContact N-CZ 3.27Å; I228-R422 PolarHBondContact O-NE 3.12Å; I228-R422 PolarHBondContact O-NH2 3.39Å; D360-R422 WeakPolarHBondContact OD1-CD 3.23Å; D360-R422 WeakPolarHBondContact OD1-CG 3.26Å; D360-R422 IonicContact OD1-NE 3.9Å; D360-R422 PolarHBondContact OD1-NE 3.32Å; D360-R422 VanDerWaalsContact OD1-NE 3.09Å; V364-R422 HydrophobicContact CG2-CB 3.85Å; E418-R422 WeakPolarHBondContact O-CG 3.47Å; E418-R422 PolarHBondContact O-N 3.12Å; E418-R422 IonicContact OE2-CZ 2.73Å; E418-R422 IonicContact OE2-NH1 3.61Å; E418-R422 IonicContact OE2-NH2 2.77Å; E418-R422 PolarHBondContact OE2-NH2 3.23Å; D419-R422 VanDerWaalsContact N-NH1 3.18Å; D419-R422 PolarHBondContact O-N 3.38Å; D419-R422 IonicContact OD1-CZ 2.8Å; D419-R422 IonicContact OD1-NH1 2.7Å; D419-R422 PolarHBondContact OD1-NH1 3.09Å; C420-R422 PolarHBondContact O-N 3.23Å; R422-R425 PolarHBondContact O-N 3.22Å; R422-K426 PolarHBondContact O-N 2.83Å
423L85.3Confident77.5Confident0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-58.7-47.8171.9-77.2165.9000111.1V364 L367 V368 I371 F404 L415 D419 C420 R425 K426 F427 F440V364-L423 HydrophobicContact CG1-CD2 4.05Å; L367-L423 HydrophobicContact CB-CD1 4.4Å; L367-L423 HydrophobicContact CD1-CD1 4.42Å; L367-L423 HydrophobicContact CD1-CG 4.39Å; V368-L423 HydrophobicContact CG2-CD2 4Å; I371-L423 HydrophobicContact CD1-CD1 3.75Å; F404-L423 HydrophobicContact CE1-CB 4.22Å; L415-L423 HydrophobicContact CD1-CD1 3.63Å; D419-L423 WeakPolarHBondContact O-CB 3.45Å; D419-L423 WeakPolarHBondContact O-CG 3.33Å; D419-L423 PolarHBondContact O-N 2.89Å; C420-L423 PolarHBondContact O-N 3.2Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.1Å; L423-K426 PolarHBondContact O-N 3.15Å; L423-F427 HydrophobicContact CD2-CD2 4.44Å; L423-F427 HydrophobicContact CD2-CE2 3.95Å; L423-F427 VanDerWaalsContact O-CD2 3.31Å; L423-F427 WeakPolarHBondContact O-CD2 3.45Å; L423-F427 PolarHBondContact O-N 3.23Å; L423-F427 VanDerWaalsContact O-N 3.12Å; L423-F440 HydrophobicContact CD2-CE2 4.24Å
424C84.3Confident77.4Confident10 Ų1044.9 Ų44.97%0.06824%0.236CC..Hα-helixtrans-56.4-43.6176.1-66.20000111.3C420 R421 A428 I435C420-C424 WeakPolarHBondContact O-CB 3.2Å; C420-C424 PolarHBondContact O-N 2.83Å; C420-C424 PolarHBondContact O-SG 2.94Å; R421-C424 PolarHBondContact O-N 3.14Å; C424-A428 WeakPolarHBondContact O-CA 3.33Å; C424-A428 WeakPolarHBondContact O-CB 3.44Å; C424-A428 PolarHBondContact O-N 3.38Å; C424-I435 HydrophobicContact CB-CD1 3.74Å; C424-I435 HydrophobicContact CB-CG1 4.34Å; C424-I435 WeakPolarHBondContact SG-CD1 3.21Å
425R81.6Confident77.9Confident137 Ų13739.7 Ų39.752%0.51721%0.208SC..Hα-helixtrans-66.5-38.7177.3-76.1-178.8-157.2145.94.9113.4C354 L356 D360 R421 R422 L423C354-R425 WeakPolarHBondContact CB-O 3.49Å; L356-R425 HydrophobicContact CD2-CB 3.96Å; D360-R425 IonicContact OD2-NH1 3.53Å; R421-R425 WeakPolarHBondContact O-CG 3.27Å; R421-R425 PolarHBondContact O-N 2.65Å; R422-R425 PolarHBondContact O-N 3.22Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 3.1Å
426K81.4Confident78.1Confident35 Ų3540.4 Ų40.415%0.15221%0.212CC..Hα-helixtrans-63.3-44.7179.8-172.870.9-172.5166.70111.4C354 L356 E361 V364 R422 L423C354-K426 WeakPolarHBondContact O-CD 3.24Å; C354-K426 WeakPolarHBondContact O-CE 3.08Å; C354-K426 PolarHBondContact O-NZ 3.4Å; L356-K426 HydrophobicContact CD1-CB 3.81Å; L356-K426 HydrophobicContact CD1-CD 3.72Å; L356-K426 HydrophobicContact CD1-CG 4.35Å; L356-K426 HydrophobicContact CG-CD 4.34Å; E361-K426 IonicContact OE1-NZ 3.84Å; E361-K426 PolarHBondContact OE1-NZ 2.92Å; V364-K426 HydrophobicContact CG1-CB 4.24Å; V364-K426 HydrophobicContact CG1-CG 4.11Å; R422-K426 PolarHBondContact O-N 2.83Å; L423-K426 PolarHBondContact O-N 3.15Å
427F81.9Confident78.1Confident8 Ų839.5 Ų39.54%0.03521%0.206CC..Hα-helixtrans-95.9-0.2-175.2-64.1-77.2000113.4L353 L423 I435 N436 A439 F440L353-F427 HydrophobicContact CD2-CD1 4.1Å; L423-F427 HydrophobicContact CD2-CD2 4.44Å; L423-F427 HydrophobicContact CD2-CE2 3.95Å; L423-F427 VanDerWaalsContact O-CD2 3.31Å; L423-F427 WeakPolarHBondContact O-CD2 3.45Å; L423-F427 PolarHBondContact O-N 3.23Å; L423-F427 VanDerWaalsContact O-N 3.12Å; F427-I435 HydrophobicContact CB-CG2 3.73Å; F427-I435 CarbonylContact O-C 3.46Å; F427-I435 WeakPolarHBondContact O-CA 3.46Å; F427-N436 PolarHBondContact O-N 3.31Å; F427-A439 HydrophobicContact CD1-CB 4.04Å; F427-A439 HydrophobicContact CE1-CB 4.32Å; F427-F440 HydrophobicContact CD1-CB 4.13Å; F427-F440 HydrophobicContact CD2-CB 4.42Å; F427-F440 AromaticContact CD2-CD2 3.91Å; F427-F440 HydrophobicContact CD2-CD2 3.91Å; F427-F440 HydrophobicContact CE1-CB 4.21Å; F427-F440 AromaticContact CE2-CD2 3.65Å; F427-F440 HydrophobicContact CE2-CD2 3.65Å; F427-F440 HydrophobicContact CE2-CE2 4.45Å; F427-F440 HydrophobicContact CG-CB 4.24Å; F427-F440 HydrophobicContact CZ-CB 4.41Å; F427-F440 HydrophobicContact CZ-CD2 4.05Å
428A79.8Confident77.9Confident23 Ų2339 Ų3919%0.1920%0.204CC..BIsolated β-bridgetrans-67.5133.5174.800000111.1C424 C434C424-A428 WeakPolarHBondContact O-CA 3.33Å; C424-A428 WeakPolarHBondContact O-CB 3.44Å; C424-A428 PolarHBondContact O-N 3.38Å; A428-C434 WeakPolarHBondContact CA-O 3.43Å
429N69.3Low77.6Confident25 Ų2537.1 Ų37.113%0.13420%0.199CC..  trans-79.9125.3169.7-179.6-12.9000108.8Q351 M431 N432 G433 C434Q351-N429 VanDerWaalsContact OE1-CG 3.31Å; Q351-N429 PolarHBondContact OE1-ND2 2.94Å; Q351-N429 PolarHBondContact OE1-OD1 3.27Å; N429-M431 PolarHBondContact O-N 3.2Å; N429-M431 PolarHBondContact OD1-N 2.98Å; N429-N432 VanDerWaalsContact CB-OD1 3.25Å; N429-N432 WeakPolarHBondContact CB-OD1 3.37Å; N429-N432 PolarHBondContact O-N 2.89Å; N429-N432 PolarHBondContact O-OD1 3.21Å; N429-G433 PolarHBondContact O-N 3.1Å; N429-C434 WeakPolarHBondContact CB-O 3.44Å; N429-C434 PolarHBondContact N-O 3.08Å
430P63.8Low77.5Confident98 Ų9836.8 Ų36.864%0.63620%0.197SC*.THydrogen-bonded Turntrans-60.7-20.2-173.421-32.5000113.7
431M56.1Low77.4Confident107 Ų10736.5 Ų36.553%0.52720%0.195SC..THydrogen-bonded Turntrans-84.9-31.5-176.1-67.1-13484.300115.1R248 N429R248-M431 HydrophobicContact CG-CE 4.38Å; R248-M431 HydrophobicContact CG-SD 4.11Å; N429-M431 PolarHBondContact O-N 3.2Å; N429-M431 PolarHBondContact OD1-N 2.98Å
432N66Low77.2Confident64 Ų6436.6 Ų36.634%0.34220%0.2SC..THydrogen-bonded Turntrans-125-9-172.860.24.3000113N429 C434N429-N432 VanDerWaalsContact CB-OD1 3.25Å; N429-N432 WeakPolarHBondContact CB-OD1 3.37Å; N429-N432 PolarHBondContact O-N 2.89Å; N429-N432 PolarHBondContact O-OD1 3.21Å; N432-C434 HydrophobicContact CB-CB 4.4Å; N432-C434 VanDerWaalsContact CG-CB 3.5Å; N432-C434 VanDerWaalsContact CG-SG 3.52Å; N432-C434 WeakPolarHBondContact ND2-CB 3.44Å; N432-C434 PolarHBondContact O-N 2.72Å; N432-C434 VanDerWaalsContact O-N 3.16Å; N432-C434 WeakPolarHBondContact OD1-CB 3.45Å; N432-C434 PolarHBondContact OD1-N 2.7Å
433G70.5Confident77Confident39 Ų3944.4 Ų44.440%0.40223%0.23SC..  trans64.710.3-172.700000113.2N401 N429N401-G433 PolarHBondContact OD1-O 3.38Å; N429-G433 PolarHBondContact O-N 3.1Å
434C75.7Confident76.8Confident27 Ų2744.4 Ų44.418%0.18223%0.23CC..  trans-87.4146.5176-54.80000109.4I399 A428 N429 N432I399-C434 CarbonylContact O-C 3.59Å; I399-C434 VanDerWaalsContact O-CA 3.31Å; I399-C434 WeakPolarHBondContact O-CA 3.19Å; I399-C434 WeakPolarHBondContact O-CB 3.28Å; A428-C434 WeakPolarHBondContact CA-O 3.43Å; N429-C434 WeakPolarHBondContact CB-O 3.44Å; N429-C434 PolarHBondContact N-O 3.08Å; N432-C434 HydrophobicContact CB-CB 4.4Å; N432-C434 VanDerWaalsContact CG-CB 3.5Å; N432-C434 VanDerWaalsContact CG-SG 3.52Å; N432-C434 WeakPolarHBondContact ND2-CB 3.44Å; N432-C434 PolarHBondContact O-N 2.72Å; N432-C434 VanDerWaalsContact O-N 3.16Å; N432-C434 WeakPolarHBondContact OD1-CB 3.45Å; N432-C434 PolarHBondContact OD1-N 2.7Å
435I79.2Confident76.4Confident0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2125.5-178-65.9165.3000109.2S398 I399 N401 F404 C424 F427 Y437S398-I435 VanDerWaalsContact CA-O 3.24Å; S398-I435 WeakPolarHBondContact CA-O 3.4Å; I399-I435 HydrophobicContact CG1-CB 4.33Å; I399-I435 PolarHBondContact N-O 2.78Å; I399-I435 PolarHBondContact O-N 2.87Å; N401-I435 HydrophobicContact CB-CD1 4.41Å; N401-I435 VanDerWaalsContact OD1-CD1 3.26Å; N401-I435 WeakPolarHBondContact OD1-CD1 3.4Å; N401-I435 WeakPolarHBondContact OD1-CG1 3.34Å; F404-I435 HydrophobicContact CB-CD1 3.44Å; F404-I435 VanDerWaalsContact CB-CD1 3.44Å; F404-I435 HydrophobicContact CD1-CD1 3.65Å; F404-I435 HydrophobicContact CD2-CD1 4.18Å; F404-I435 HydrophobicContact CD2-CG2 3.87Å; F404-I435 HydrophobicContact CE1-CD1 4.41Å; F404-I435 HydrophobicContact CE2-CG2 4.09Å; F404-I435 HydrophobicContact CG-CD1 3.51Å; F404-I435 HydrophobicContact CG-CG2 4.3Å; C424-I435 HydrophobicContact CB-CD1 3.74Å; C424-I435 HydrophobicContact CB-CG1 4.34Å; C424-I435 WeakPolarHBondContact SG-CD1 3.21Å; F427-I435 HydrophobicContact CB-CG2 3.73Å; F427-I435 CarbonylContact O-C 3.46Å; F427-I435 WeakPolarHBondContact O-CA 3.46Å; I435-Y437 VanDerWaalsContact C-N 3.33Å; I435-Y437 PolarHBondContact O-N 2.89Å
436N79.2Confident75.8Confident53 Ų5343.5 Ų43.528%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-73.688.1168.6-176-13.7000109.4R397 F427 G438 A439 F440R397-N436 WeakPolarHBondContact O-CA 3.36Å; R397-N436 PolarHBondContact O-OD1 3.35Å; F427-N436 PolarHBondContact O-N 3.31Å; N436-G438 PolarHBondContact O-N 3.38Å; N436-G438 PolarHBondContact OD1-N 2.85Å; N436-A439 HydrophobicContact CB-CB 4.32Å; N436-A439 PolarHBondContact O-N 2.69Å; N436-A439 PolarHBondContact OD1-N 3.34Å; N436-A439 VanDerWaalsContact OD1-N 3.09Å; N436-F440 PolarHBondContact O-N 2.84Å
437Y81.7Confident75.2Confident0 Ų048.3 Ų48.30%025%0.252CS..Hα-helixtrans-68.6-22.7-179.874.1-92.9000111.9Y383 F386 D390 R397 I399 I435 A439 F440 C441Y383-Y437 HydrophobicContact CD2-CD2 4.39Å; Y383-Y437 AromaticContact CD2-CE2 3.9Å; Y383-Y437 HydrophobicContact CD2-CE2 3.9Å; Y383-Y437 HydrophobicContact CE2-CD2 4.4Å; Y383-Y437 AromaticContact CE2-CE2 3.59Å; Y383-Y437 HydrophobicContact CE2-CE2 3.59Å; F386-Y437 HydrophobicContact CB-CD1 4.44Å; F386-Y437 HydrophobicContact CB-CD2 3.3Å; F386-Y437 HydrophobicContact CB-CE2 3.69Å; F386-Y437 HydrophobicContact CB-CG 3.73Å; F386-Y437 HydrophobicContact CD2-CD2 4.35Å; F386-Y437 AromaticContact CG-CD2 3.94Å; F386-Y437 HydrophobicContact CG-CD2 3.94Å; F386-Y437 HydrophobicContact CG-CG 4.14Å; D390-Y437 HydrophobicContact CB-CE1 3.83Å; D390-Y437 WeakPolarHBondContact OD2-CE1 3.31Å; D390-Y437 PolarHBondContact OD2-OH 2.88Å; D390-Y437 VanDerWaalsContact OD2-OH 3.05Å; R397-Y437 HydrophobicContact CB-CE1 4.42Å; R397-Y437 WeakPolarHBondContact O-CD1 3.38Å; R397-Y437 PolarHBondContact O-N 3.17Å; I399-Y437 HydrophobicContact CB-CD1 4.47Å; I399-Y437 HydrophobicContact CD1-CD1 4.43Å; I399-Y437 HydrophobicContact CD1-CG 4.49Å; I399-Y437 HydrophobicContact CG1-CD1 4.23Å; I399-Y437 HydrophobicContact CG2-CD1 3.74Å; I399-Y437 HydrophobicContact CG2-CE1 3.98Å; I435-Y437 VanDerWaalsContact C-N 3.33Å; I435-Y437 PolarHBondContact O-N 2.89Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; Y437-A439 PolarHBondContact O-N 2.8Å; Y437-F440 WeakPolarHBondContact O-CB 3.5Å; Y437-F440 PolarHBondContact O-N 3.29Å; Y437-F440 VanDerWaalsContact O-N 3.17Å; Y437-C441 WeakPolarHBondContact O-CB 3.35Å; Y437-C441 PolarHBondContact O-N 3.23Å; Y437-C441 PolarHBondContact O-SG 3.33Å
438G78Confident74.2Confident2 Ų249 Ų492%0.02126%0.255CS..Hα-helixtrans-61.2-42.7173.400000112.2N436 F440 E442N436-G438 PolarHBondContact O-N 3.38Å; N436-G438 PolarHBondContact OD1-N 2.85Å; G438-F440 VanDerWaalsContact C-N 3.32Å; G438-E442 WeakPolarHBondContact O-CB 3.24Å; G438-E442 PolarHBondContact O-N 2.78Å
439A76.9Confident73.2Confident19 Ų1951.6 Ų51.616%0.15727%0.269CS..Hα-helixtrans-69.2-30174.300000112.7L353 F427 N436 Y437 R443L353-A439 HydrophobicContact CD2-CB 4.23Å; F427-A439 HydrophobicContact CD1-CB 4.04Å; F427-A439 HydrophobicContact CE1-CB 4.32Å; N436-A439 HydrophobicContact CB-CB 4.32Å; N436-A439 PolarHBondContact O-N 2.69Å; N436-A439 PolarHBondContact OD1-N 3.34Å; N436-A439 VanDerWaalsContact OD1-N 3.09Å; Y437-A439 VanDerWaalsContact C-N 3.34Å; Y437-A439 PolarHBondContact O-N 2.8Å; A439-R443 PolarHBondContact O-N 3.42Å
440F83.7Confident72.3Confident1 Ų151.1 Ų51.10%0.00427%0.268CS..Hα-helixtrans-70.2-48.5174.1176.6-103.4000111.7I371 F386 F404 L408 L423 F427 N436 Y437 G438 E442 R443 I444I371-F440 HydrophobicContact CD1-CE2 4.29Å; I371-F440 HydrophobicContact CD1-CZ 4.23Å; F386-F440 AromaticContact CE2-CD1 3.73Å; F386-F440 HydrophobicContact CE2-CD1 3.73Å; F386-F440 AromaticContact CE2-CE1 3.69Å; F386-F440 HydrophobicContact CE2-CE1 3.69Å; F386-F440 AromaticContact CZ-CD1 3.77Å; F386-F440 HydrophobicContact CZ-CD1 3.77Å; F386-F440 AromaticContact CZ-CE1 3.54Å; F386-F440 HydrophobicContact CZ-CE1 3.54Å; F404-F440 HydrophobicContact CE2-CB 4.43Å; F404-F440 AromaticContact CE2-CD1 3.66Å; F404-F440 HydrophobicContact CE2-CD1 3.66Å; F404-F440 HydrophobicContact CE2-CD2 4.01Å; F404-F440 AromaticContact CE2-CE1 3.74Å; F404-F440 HydrophobicContact CE2-CE1 3.74Å; F404-F440 HydrophobicContact CE2-CE2 4.09Å; F404-F440 AromaticContact CE2-CG 3.78Å; F404-F440 HydrophobicContact CE2-CG 3.78Å; F404-F440 AromaticContact CE2-CZ 3.93Å; F404-F440 HydrophobicContact CE2-CZ 3.93Å; F404-F440 HydrophobicContact CZ-CD1 4.19Å; F404-F440 AromaticContact CZ-CD2 3.82Å; F404-F440 HydrophobicContact CZ-CD2 3.82Å; F404-F440 AromaticContact CZ-CE1 3.98Å; F404-F440 HydrophobicContact CZ-CE1 3.98Å; F404-F440 AromaticContact CZ-CE2 3.61Å; F404-F440 HydrophobicContact CZ-CE2 3.61Å; F404-F440 HydrophobicContact CZ-CG 4.09Å; F404-F440 AromaticContact CZ-CZ 3.66Å; F404-F440 HydrophobicContact CZ-CZ 3.66Å; L408-F440 HydrophobicContact CD2-CE1 4.18Å; L408-F440 HydrophobicContact CD2-CZ 3.91Å; L423-F440 HydrophobicContact CD2-CE2 4.24Å; F427-F440 HydrophobicContact CD1-CB 4.13Å; F427-F440 HydrophobicContact CD2-CB 4.42Å; F427-F440 AromaticContact CD2-CD2 3.91Å; F427-F440 HydrophobicContact CD2-CD2 3.91Å; F427-F440 HydrophobicContact CE1-CB 4.21Å; F427-F440 AromaticContact CE2-CD2 3.65Å; F427-F440 HydrophobicContact CE2-CD2 3.65Å; F427-F440 HydrophobicContact CE2-CE2 4.45Å; F427-F440 HydrophobicContact CG-CB 4.24Å; F427-F440 HydrophobicContact CZ-CB 4.41Å; F427-F440 HydrophobicContact CZ-CD2 4.05Å; N436-F440 PolarHBondContact O-N 2.84Å; Y437-F440 WeakPolarHBondContact O-CB 3.5Å; Y437-F440 PolarHBondContact O-N 3.29Å; Y437-F440 VanDerWaalsContact O-N 3.17Å; G438-F440 VanDerWaalsContact C-N 3.32Å; F440-E442 VanDerWaalsContact C-N 3.35Å; F440-E442 PolarHBondContact O-N 3.18Å; F440-R443 WeakPolarHBondContact O-CB 3.38Å; F440-R443 PolarHBondContact O-N 3.43Å; F440-I444 HydrophobicContact CD1-CD1 3.7Å; F440-I444 HydrophobicContact CD2-CD1 3.75Å; F440-I444 HydrophobicContact CE1-CD1 3.21Å; F440-I444 HydrophobicContact CE2-CD1 3.26Å; F440-I444 HydrophobicContact CG-CD1 3.96Å; F440-I444 HydrophobicContact CZ-CD1 2.99Å; F440-I444 HydrophobicContact CZ-CG1 4.47Å; F440-I444 PolarHBondContact O-N 3.11Å
441C82.8Confident71.6Confident0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-61.6-40.9177.2-68.70000111.7T382 Y383 F386 Y437 R443 I444 D445 F448T382-C441 PolarHBondContact OG1-SG 3.23Å; T382-C441 VanDerWaalsContact OG1-SG 3.33Å; Y383-C441 HydrophobicContact CD2-CB 4.37Å; F386-C441 VanDerWaalsContact CD2-SG 3.58Å; Y437-C441 WeakPolarHBondContact O-CB 3.35Å; Y437-C441 PolarHBondContact O-N 3.23Å; Y437-C441 PolarHBondContact O-SG 3.33Å; C441-R443 PolarHBondContact O-N 3Å; C441-R443 VanDerWaalsContact O-N 3.16Å; C441-I444 PolarHBondContact O-N 3.27Å; C441-I444 VanDerWaalsContact O-N 3.08Å; C441-D445 WeakPolarHBondContact O-CB 3.28Å; C441-D445 PolarHBondContact O-N 3.27Å; C441-F448 HydrophobicContact CB-CD1 3.56Å; C441-F448 HydrophobicContact CB-CE1 3.75Å; C441-F448 HydrophobicContact CB-CG 4.21Å
442E80.8Confident70.8Confident109 Ų10948.2 Ų48.251%0.50927%0.269SS..Hα-helixtrans-61.3-24.1176-175.1173-164.700112.8G438 F440 F448 A450G438-E442 WeakPolarHBondContact O-CB 3.24Å; G438-E442 PolarHBondContact O-N 2.78Å; F440-E442 VanDerWaalsContact C-N 3.35Å; F440-E442 PolarHBondContact O-N 3.18Å; E442-F448 HydrophobicContact CB-CD1 4.43Å; E442-A450 HydrophobicContact CB-CB 4.5Å
443R80.1Confident69.4Low175 Ų17550 Ų5066%0.6628%0.284SS*.Hα-helixtrans-86.2-21.8177.6-152.272.5176.6153.10.9113.4V368 A439 F440 C441V368-R443 HydrophobicContact CG1-CB 4.25Å; V368-R443 HydrophobicContact CG1-CG 3.56Å; A439-R443 PolarHBondContact O-N 3.42Å; F440-R443 WeakPolarHBondContact O-CB 3.38Å; F440-R443 PolarHBondContact O-N 3.43Å; C441-R443 PolarHBondContact O-N 3Å; C441-R443 VanDerWaalsContact O-N 3.16Å
444I80.5Confident67.5Low1 Ų153.1 Ų53.11%0.00530%0.295CS..Hα-helixtrans-104.8-47-173.2-74163.4000112I371 V375 T382 F440 C441I371-I444 HydrophobicContact CB-CD1 4.32Å; I371-I444 HydrophobicContact CG2-CD1 3.54Å; I371-I444 HydrophobicContact CG2-CG1 4.03Å; I371-I444 HydrophobicContact CG2-CG2 4.17Å; V375-I444 HydrophobicContact CB-CG2 4.02Å; V375-I444 HydrophobicContact CG1-CG2 4Å; V375-I444 HydrophobicContact CG2-CG2 3.82Å; T382-I444 HydrophobicContact CG2-CG2 4.03Å; F440-I444 HydrophobicContact CD1-CD1 3.7Å; F440-I444 HydrophobicContact CD2-CD1 3.75Å; F440-I444 HydrophobicContact CE1-CD1 3.21Å; F440-I444 HydrophobicContact CE2-CD1 3.26Å; F440-I444 HydrophobicContact CG-CD1 3.96Å; F440-I444 HydrophobicContact CZ-CD1 2.99Å; F440-I444 HydrophobicContact CZ-CG1 4.47Å; F440-I444 PolarHBondContact O-N 3.11Å; C441-I444 PolarHBondContact O-N 3.27Å; C441-I444 VanDerWaalsContact O-N 3.08Å
445D74.8Confident65.3Low4 Ų457.6 Ų57.62%0.02132%0.317CS..  trans-91.5106.5-174-79.3-35.2000109.8T382 C441 W447 F448T382-D445 WeakPolarHBondContact CB-OD2 3.33Å; T382-D445 PolarHBondContact N-OD2 3.14Å; T382-D445 PolarHBondContact OG1-OD2 3.42Å; C441-D445 WeakPolarHBondContact O-CB 3.28Å; C441-D445 PolarHBondContact O-N 3.27Å; D445-W447 HydrophobicContact CB-CZ2 4.29Å; D445-W447 VanDerWaalsContact CG-NE1 3.31Å; D445-W447 PolarHBondContact O-N 3.26Å; D445-W447 VanDerWaalsContact O-N 3.09Å; D445-W447 PolarHBondContact OD1-NE1 3.18Å; D445-W447 VanDerWaalsContact OD1-NE1 3.13Å; D445-F448 HydrophobicContact CB-CB 3.47Å; D445-F448 VanDerWaalsContact CB-CB 3.47Å; D445-F448 PolarHBondContact O-N 2.96Å
446D69.9Low62.9Low124 Ų12466.5 Ų66.566%0.66336%0.356SS*.THydrogen-bonded Turntrans-61.4-18.4176.5-75.1-30.3000113.2K372K372-D446 VanDerWaalsContact CE-OD1 3.25Å; K372-D446 WeakPolarHBondContact CE-OD1 3.5Å; K372-D446 VanDerWaalsContact CE-OD2 3.27Å; K372-D446 WeakPolarHBondContact CE-OD2 3.29Å; K372-D446 IonicContact NZ-OD1 2.78Å; K372-D446 PolarHBondContact NZ-OD1 2.95Å; K372-D446 IonicContact NZ-OD2 2.79Å; K372-D446 PolarHBondContact NZ-OD2 3.44Å
447W68.8Low61Low135 Ų13570.5 Ų70.551%0.51138%0.378SS..THydrogen-bonded Turntrans-94.5-16.5177.763.6-84.6000112.9L381 D445L381-W447 HydrophobicContact CB-CH2 4.04Å; L381-W447 HydrophobicContact CB-CZ2 3.66Å; L381-W447 HydrophobicContact CD2-CD2 4.02Å; L381-W447 HydrophobicContact CD2-CE3 4.43Å; L381-W447 HydrophobicContact CD2-CH2 3.69Å; L381-W447 HydrophobicContact CD2-CZ2 3.19Å; L381-W447 HydrophobicContact CD2-CZ3 4.27Å; L381-W447 HydrophobicContact CG-CH2 4.34Å; L381-W447 HydrophobicContact CG-CZ2 3.99Å; D445-W447 HydrophobicContact CB-CZ2 4.29Å; D445-W447 VanDerWaalsContact CG-NE1 3.31Å; D445-W447 PolarHBondContact O-N 3.26Å; D445-W447 VanDerWaalsContact O-N 3.09Å; D445-W447 PolarHBondContact OD1-NE1 3.18Å; D445-W447 VanDerWaalsContact OD1-NE1 3.13Å
448F61.1Low58.9Low23 Ų2379.7 Ų79.710%0.10142%0.421CS..  trans-92108.3-178.2-177.7-100000110.4Y383 C441 E442 D445 A450Y383-F448 HydrophobicContact CD1-CD2 4.42Å; Y383-F448 AromaticContact CD1-CE2 3.86Å; Y383-F448 HydrophobicContact CD1-CE2 3.86Å; Y383-F448 AromaticContact CD2-CD2 3.92Å; Y383-F448 HydrophobicContact CD2-CD2 3.92Å; Y383-F448 AromaticContact CD2-CE1 3.95Å; Y383-F448 HydrophobicContact CD2-CE1 3.95Å; Y383-F448 AromaticContact CD2-CE2 3.16Å; Y383-F448 HydrophobicContact CD2-CE2 3.16Å; Y383-F448 AromaticContact CD2-CZ 3.18Å; Y383-F448 HydrophobicContact CD2-CZ 3.18Å; Y383-F448 HydrophobicContact CE1-CE2 4.06Å; Y383-F448 HydrophobicContact CE2-CE1 4.22Å; Y383-F448 AromaticContact CE2-CE2 3.41Å; Y383-F448 HydrophobicContact CE2-CE2 3.41Å; Y383-F448 VanDerWaalsContact CE2-CE2 3.41Å; Y383-F448 AromaticContact CE2-CZ 3.2Å; Y383-F448 HydrophobicContact CE2-CZ 3.2Å; Y383-F448 AromaticContact CG-CD2 3.84Å; Y383-F448 HydrophobicContact CG-CD2 3.84Å; Y383-F448 AromaticContact CG-CE2 3.39Å; Y383-F448 HydrophobicContact CG-CE2 3.39Å; Y383-F448 AromaticContact CG-CZ 3.94Å; Y383-F448 HydrophobicContact CG-CZ 3.94Å; Y383-F448 AromaticContact CZ-CE2 3.85Å; Y383-F448 AromaticContact CZ-CZ 3.98Å; C441-F448 HydrophobicContact CB-CD1 3.56Å; C441-F448 HydrophobicContact CB-CE1 3.75Å; C441-F448 HydrophobicContact CB-CG 4.21Å; E442-F448 HydrophobicContact CB-CD1 4.43Å; D445-F448 HydrophobicContact CB-CB 3.47Å; D445-F448 VanDerWaalsContact CB-CB 3.47Å; D445-F448 PolarHBondContact O-N 2.96Å; F448-A450 HydrophobicContact CE1-CB 3.81Å; F448-A450 HydrophobicContact CZ-CB 4.29Å
449T57.8Low56.9Low78 Ų7887.4 Ų87.448%0.47946%0.461SS..  trans-102112.3167.1-520000107.8A451 A452T449-A451 HydrophobicContact CG2-CB 4.31Å; T449-A451 PolarHBondContact O-N 3.18Å; T449-A452 PolarHBondContact O-N 3.13Å
450A51.6Low55Low15 Ų1594 Ų9412%0.12449%0.494CS..THydrogen-bonded Turntrans-57-14.7177.100000113.3R397 E442 F448R397-A450 PolarHBondContact NH1-O 2.94Å; R397-A450 PolarHBondContact NH2-O 2.77Å; R397-A450 VanDerWaalsContact NH2-O 3.11Å; E442-A450 HydrophobicContact CB-CB 4.5Å; F448-A450 HydrophobicContact CE1-CB 3.81Å; F448-A450 HydrophobicContact CZ-CB 4.29Å
451A48.5Very low52.7Low79 Ų7999.7 Ų99.765%0.65353%0.531SS*.THydrogen-bonded Turntrans-115.919.2178.200000114.1T449 P453T449-A451 HydrophobicContact CG2-CB 4.31Å; T449-A451 PolarHBondContact O-N 3.18Å; A451-P453 WeakPolarHBondContact O-CD 3.49Å; A451-P453 VanDerWaalsContact O-N 3.17Å
452A39.9Very low50.3Low64 Ų64103.1 Ų103.153%0.52957%0.567SS.*  trans-60.3120.5168.600000108.2T449 V454T449-A452 PolarHBondContact O-N 3.13Å; A452-V454 PolarHBondContact O-N 3.21Å; A452-V454 VanDerWaalsContact O-N 3.16Å
453P35.3Very low48.1Very low101 Ų101105.5 Ų105.566%0.65658%0.583SS**  trans-63.1121.6178.926.1-30.8000107.2A451 N455A451-P453 WeakPolarHBondContact O-CD 3.49Å; A451-P453 VanDerWaalsContact O-N 3.17Å; P453-N455 PolarHBondContact O-N 3.26Å
454V30.3Very low45.7Very low105 Ų105102.5 Ų102.564%0.63658%0.583SS**  trans-65.294.8154.5-177.10000104.1A452 F456A452-V454 PolarHBondContact O-N 3.21Å; A452-V454 VanDerWaalsContact O-N 3.16Å; V454-F456 VanDerWaalsContact C-N 3.28Å; V454-F456 HydrophobicContact CB-CD2 4.16Å; V454-F456 HydrophobicContact CB-CE2 3.83Å; V454-F456 HydrophobicContact CB-CZ 4.27Å; V454-F456 HydrophobicContact CG1-CD1 4.17Å; V454-F456 HydrophobicContact CG1-CD2 3.85Å; V454-F456 HydrophobicContact CG1-CE1 4.04Å; V454-F456 HydrophobicContact CG1-CE2 3.71Å; V454-F456 HydrophobicContact CG1-CG 4.09Å; V454-F456 HydrophobicContact CG1-CZ 3.82Å; V454-F456 VanDerWaalsContact O-CD2 3.28Å; V454-F456 WeakPolarHBondContact O-CD2 3.49Å; V454-F456 PolarHBondContact O-N 3.3Å
455N29.3Very low43.3Very low121 Ų121109.1 Ų109.165%0.64762%0.619SS**  trans-61.2103.9158.5-70.4-22.5000104.2P453 D457P453-N455 PolarHBondContact O-N 3.26Å; N455-D457 PolarHBondContact O-N 3.12Å
456F30.3Very low41.2Very low187 Ų187117.2 Ų117.282%0.8265%0.654SS**SBendtrans-70.813.7171-77.2-86.3000112.1V454V454-F456 VanDerWaalsContact C-N 3.28Å; V454-F456 HydrophobicContact CB-CD2 4.16Å; V454-F456 HydrophobicContact CB-CE2 3.83Å; V454-F456 HydrophobicContact CB-CZ 4.27Å; V454-F456 HydrophobicContact CG1-CD1 4.17Å; V454-F456 HydrophobicContact CG1-CD2 3.85Å; V454-F456 HydrophobicContact CG1-CE1 4.04Å; V454-F456 HydrophobicContact CG1-CE2 3.71Å; V454-F456 HydrophobicContact CG1-CG 4.09Å; V454-F456 HydrophobicContact CG1-CZ 3.82Å; V454-F456 VanDerWaalsContact O-CD2 3.28Å; V454-F456 WeakPolarHBondContact O-CD2 3.49Å; V454-F456 PolarHBondContact O-N 3.3Å
457D37.9Very low39.2Very low137 Ų137118.6 Ų118.673%0.73366%0.657SS**  trans-112.585.2175.2-60.9-36.6000107.4N455N455-D457 PolarHBondContact O-N 3.12Å
458E38.3Very low37.3Very low193 Ų193118.3 Ų118.390%0.90267%0.67SS**  trans173.680.5151.3-96.3169-158.900110.9
459D36.4Very low35.8Very low164 Ų164122.3 Ų122.388%0.87770%0.7SS**  trans-81.7106.5152.4-84.7-36.7000108
460N36.5Very low34.5Very low159 Ų159126.2 Ų126.285%0.8572%0.718SS**  trans-157.5117.6150.3-124.51.4000111.6
461P36.1Very low33.6Very low120 Ų120134.9 Ų134.978%0.77975%0.753SS**  trans-89.3128.2177.433.4-28.2000111.2
462G32.9Very low32.7Very low72 Ų72137.6 Ų137.674%0.74276%0.762SS**  trans59.6100.7154.500000119.1
463D33.3Very low32.3Very low158 Ų158140.9 Ų140.985%0.84577%0.774SS**  170.9133.7109.5-109.1-14.8000112.7
464V31.1Very low32.1Very low112 Ų112141.6 Ų141.668%0.67978%0.777SS**  trans-9.9116.9148.2-1420000116
465N29.7Very low32Very low141 Ų141146.4 Ų146.475%0.75479%0.79SS**  168.8131.6115-86.2-40.7000114.7
466F30.4Very low32.1Very low173 Ų173146.8 Ų146.876%0.75980%0.8SS**  trans6097.9146-108.8-96.2000120.9
467E26.8Very low32.3Very low154 Ų154143.4 Ų143.472%0.7280%0.795SS**  25.6126.8123.4-56.3-176.4163.300118.5
468V29.3Very low32.2Very low128 Ų128143 Ų14378%0.77680%0.8SS**  -179.3143.195.2158.10000109.2
469S30.8Very low32.1Very low107 Ų107141.3 Ų141.375%0.74879%0.792SS**  trans96.777.9163.9-72.50000119.3
470N30.5Very low32Very low160 Ų160139.6 Ų139.686%0.85678%0.781SS**  -12.3121.8122.8-76.5-29.1000115.6
471K32.7Very low32Very low198 Ų198135.5 Ų135.586%0.86178%0.777SS**  trans-168.196.4132.5-106169.6-173.9-178.50111.9
472V29.1Very low32.1Very low136 Ų136135.8 Ų135.882%0.82477%0.772SS**  trans19.9104.9131.7-172.60000116.3
473V31.9Very low32.1Very low132 Ų132136.9 Ų136.980%0.876%0.764SS**  trans-14698.4146.2-176.90000110.6
474T30.9Very low32.2Very low116 Ų116139.3 Ų139.371%0.71276%0.762SS**  trans20.2124.1139.1360000121.5
475K28.5Very low32.1Very low207 Ų207139.4 Ų139.490%0.977%0.766SS**  trans-37.6132.9159.6-64.3176175.31790113
476C30.6Very low32.1Very low128 Ų128136.2 Ų136.287%0.86577%0.767SS**  trans-145.8105.8156.4-85.40000108.9
477T34.4Very low32.3Very low116 Ų116136.7 Ų136.771%0.71277%0.768SS**  trans-66.9140168.6390000110.2E479T477-E479 PolarHBondContact O-N 2.72Å; T477-E479 VanDerWaalsContact O-N 3.15Å
478P36.7Very low32.4Very low129 Ų129136 Ų13684%0.83877%0.769SS**  trans-73.9107.9169.528.7-29.3000109.1
479E36.5Very low32.5Very low158 Ų158136.8 Ų136.874%0.73877%0.774SS**  trans-77.9134.1166.6-70.8-17417100109.9T477 G481T477-E479 PolarHBondContact O-N 2.72Å; T477-E479 VanDerWaalsContact O-N 3.15Å; E479-G481 PolarHBondContact O-N 3.46Å
480I33.9Very low32.5Very low127 Ų127137.2 Ų137.265%0.65177%0.772SS**THydrogen-bonded Turntrans-70.3117.1177.8-71.1146.1000108.5I343I343-I480 HydrophobicContact CB-CD1 4.05Å; I343-I480 HydrophobicContact CD1-CB 4.35Å; I343-I480 HydrophobicContact CD1-CD1 3.38Å; I343-I480 HydrophobicContact CD1-CG1 3.62Å; I343-I480 HydrophobicContact CD1-CG2 3.82Å; I343-I480 HydrophobicContact CG1-CD1 4.22Å; I343-I480 HydrophobicContact CG2-CD1 4.26Å
481G36.1Very low32.3Very low73 Ų73138.2 Ų138.275%0.75377%0.771SS**THydrogen-bonded Turntrans117.4-3.6171.200000116.2E479 T483E479-G481 PolarHBondContact O-N 3.46Å; G481-T483 PolarHBondContact O-N 2.88Å
482D37.8Very low32.2Very low126 Ų126140.4 Ų140.467%0.67477%0.774SS**  trans-84.8115.9-179.7-143.3-4.6000114.2
483T33.4Very low32.3Very low95 Ų95138.5 Ų138.558%0.58377%0.767SS**  trans-47.6129159.2570000113.2G481G481-T483 PolarHBondContact O-N 2.88Å
484R34.2Very low32.3Very low210 Ų210143.6 Ų143.679%0.79277%0.771SS**  175.9111.8108.9-92.4167.4-126.3-1622.1110
485C30.3Very low32.3Very low113 Ų113146.1 Ų146.176%0.76478%0.775SS**  59.895126.8-58.70000114.7K487C485-K487 PolarHBondContact O-N 3.44Å; C485-K487 VanDerWaalsContact O-N 3.17Å
486G30.2Very low32.5Very low75 Ų75141.3 Ų141.377%0.77377%0.768SS**  trans-38.8125.9143.300000110.1
487K33.4Very low32.7Very low182 Ų182141.3 Ų141.379%0.79176%0.764SS**  trans-170.8108.4145.5-101.8160-172.6-175.10107.8C485C485-K487 PolarHBondContact O-N 3.44Å; C485-K487 VanDerWaalsContact O-N 3.17Å
488N28.3Very low32.8Very low139 Ų139142.2 Ų142.274%0.74377%0.769SS**  trans61.781.3139.2-53.1-16.9000116.9
489V31.5Very low33Very low145 Ų145142.3 Ų142.388%0.87976%0.761SS**  trans-117.283.2141.7-1740000108.3
490V30.9Very low33Very low116 Ų116139.4 Ų139.470%0.70376%0.755SS**  trans13.1112.3136.2-172.50000114.9R492V490-R492 PolarHBondContact O-N 3.36Å
491H27.8Very low33.5Very low181 Ų181137.8 Ų137.884%0.83875%0.752SS**  trans898.1145.4-84-82.2000115.6
492R30.2Very low34Very low245 Ų245141 Ų14193%0.92575%0.75SS**  trans-97.3118.5138.6-82.5-172.6176.6-178.8-0.1108.5V490V490-R492 PolarHBondContact O-N 3.36Å
493S31.6Very low34.5Very low95 Ų95141 Ų14166%0.66475%0.749SS**  trans-44.9126.8-177.344.90000113.8H495S493-H495 PolarHBondContact O-N 3.16Å
494R31.4Very low35.5Very low239 Ų239138.8 Ų138.890%0.90274%0.738SS**SBendtrans-70.331.4-175.6-136.4174.4-178.2163.1-0.7115.8
495H31.5Very low36.7Very low169 Ų169133.7 Ų133.778%0.78274%0.741SS**  trans-145.826.5-163-6273.9000116.1S493S493-H495 PolarHBondContact O-N 3.16Å
496S31.5Very low38.1Very low107 Ų107128.7 Ų128.775%0.74871%0.708SS**  trans-152.332.4-176.3-1640000117
497T34.9Very low39.8Very low128 Ų128125.4 Ų125.479%0.78567%0.673SS**  trans-105.398.8153.647.80000106.2I499T497-I499 PolarHBondContact O-N 3.5Å
498V35.9Very low41.4Very low134 Ų134125.1 Ų125.181%0.81267%0.674SS**  trans-60.292.7164.2-179.80000105P500V498-P500 WeakPolarHBondContact O-CD 3.22Å
499I41.4Very low43.5Very low131 Ų131121.4 Ų121.467%0.67265%0.65SS**  trans-56.6122162-60.8171.7000103.2T497 V501T497-I499 PolarHBondContact O-N 3.5Å; I499-V501 VanDerWaalsContact C-N 3.34Å; I499-V501 PolarHBondContact O-N 3.44Å
500P36.6Very low45.8Very low97 Ų97118.3 Ų118.363%0.6363%0.632SS**  trans-56.6109.6171.124-30.2000105.5V498 I502V498-P500 WeakPolarHBondContact O-CD 3.22Å; P500-I502 PolarHBondContact O-N 3.15Å
501V45.8Very low48.2Very low94 Ų94114.4 Ų114.457%0.5761%0.609SS**  trans-67.191166.7179.70000102.9I499 L503 V569I499-V501 VanDerWaalsContact C-N 3.34Å; I499-V501 PolarHBondContact O-N 3.44Å; V501-L503 HydrophobicContact CG1-CD2 4.09Å; V501-L503 HydrophobicContact CG1-CG 4.25Å; V501-L503 PolarHBondContact O-N 3.07Å; V501-V569 HydrophobicContact CG1-CG2 3.98Å
502I45.4Very low50.9Low140 Ų140110.4 Ų110.472%0.71859%0.591SS**  trans-63.995.7167.6-60.1174.7000103.3P500 S504P500-I502 PolarHBondContact O-N 3.15Å; I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 2.58Å
503L48Very low53.4Low125 Ų125101.1 Ų101.165%0.65456%0.561SS**  trans-62.398.4174.1-74.4164000105.9V501 D507V501-L503 HydrophobicContact CG1-CD2 4.09Å; V501-L503 HydrophobicContact CG1-CG 4.25Å; V501-L503 PolarHBondContact O-N 3.07Å; L503-D507 WeakPolarHBondContact CA-OD2 3.29Å; L503-D507 HydrophobicContact CD2-CB 4.32Å
504S55.8Low55.7Low49 Ų4996.6 Ų96.634%0.34353%0.529SS..  trans-65.9145.8172.2-166.30000107.2I502 G506 D507I502-S504 VanDerWaalsContact C-N 3.28Å; I502-S504 PolarHBondContact O-N 2.58Å; S504-G506 PolarHBondContact O-N 3.29Å; S504-D507 PolarHBondContact N-OD2 3.2Å; S504-D507 VanDerWaalsContact N-OD2 3.13Å; S504-D507 WeakPolarHBondContact O-CB 3.46Å; S504-D507 PolarHBondContact O-N 3.08Å
505A58Low58.3Low104 Ų10485.4 Ų85.486%0.8649%0.487SS*.THydrogen-bonded Turntrans-54.9-17.8176.800000112.4
506G61.1Low60.8Low7 Ų779.8 Ų79.87%0.07246%0.463CS..THydrogen-bonded Turntrans-84.2-6.2173.100000117.4S504 Q508 W509 Q570S504-G506 PolarHBondContact O-N 3.29Å; G506-Q508 PolarHBondContact O-N 3.14Å; G506-W509 VanDerWaalsContact CA-CE2 3.48Å; G506-W509 VanDerWaalsContact O-CG 3.29Å; G506-W509 PolarHBondContact O-N 3.24Å; G506-Q570 VanDerWaalsContact C-NE2 3.33Å; G506-Q570 PolarHBondContact O-NE2 3.24Å
507D64Low63.1Low7 Ų777.1 Ų77.14%0.03744%0.437CS..THydrogen-bonded Turntrans-71.6-15.6-173.7-78.2-7.4000114.1L503 S504 T567 V569 I573L503-D507 WeakPolarHBondContact CA-OD2 3.29Å; L503-D507 HydrophobicContact CD2-CB 4.32Å; S504-D507 PolarHBondContact N-OD2 3.2Å; S504-D507 VanDerWaalsContact N-OD2 3.13Å; S504-D507 WeakPolarHBondContact O-CB 3.46Å; S504-D507 PolarHBondContact O-N 3.08Å; D507-T567 WeakPolarHBondContact OD1-CB 3.37Å; D507-T567 VanDerWaalsContact OD1-CG2 3.22Å; D507-T567 WeakPolarHBondContact OD1-CG2 3.37Å; D507-T567 PolarHBondContact OD1-OG1 3.38Å; D507-V569 HydrophobicContact CB-CB 4.33Å; D507-V569 HydrophobicContact CB-CG1 4.14Å; D507-I573 WeakPolarHBondContact O-CD1 3.27Å
508Q67.6Low65.5Low175 Ų17571 Ų7182%0.81840%0.399SS*.THydrogen-bonded Turntrans-9812.8178.2-62.4-176.31000113.3G506G506-Q508 PolarHBondContact O-N 3.14Å
509W72Confident67.9Low62 Ų6266 Ų6624%0.23537%0.366CS..  trans-65.1135.5-179.2-71.6-4.2000111.6G506 V513 L514G506-W509 VanDerWaalsContact CA-CE2 3.48Å; G506-W509 VanDerWaalsContact O-CG 3.29Å; G506-W509 PolarHBondContact O-N 3.24Å; W509-V513 HydrophobicContact CB-CG1 4.47Å; W509-V513 HydrophobicContact CD2-CG1 4.27Å; W509-V513 HydrophobicContact CE3-CG1 4.21Å; W509-V513 HydrophobicContact CG-CG1 4.4Å; W509-L514 HydrophobicContact CB-CD2 4.46Å; W509-L514 HydrophobicContact CB-CG 4.31Å; W509-L514 HydrophobicContact CE3-CD2 3.81Å; W509-L514 HydrophobicContact CZ3-CD2 4.49Å
510P80.5Confident69.9Low79 Ų7961 Ų6151%0.51334%0.339SS..  trans-61.1145173.726.4-32.8000109.3E512 V513 L514P510-E512 PolarHBondContact O-N 3.48Å; P510-V513 HydrophobicContact CG-CB 4.08Å; P510-V513 HydrophobicContact CG-CG2 3.6Å; P510-V513 PolarHBondContact O-N 3.31Å; P510-L514 PolarHBondContact O-N 3.44Å
511V81.8Confident72.1Confident35 Ų3557 Ų5721%0.21231%0.312CS..Hα-helixtrans-49-36.5-179.9-179.30000111.5V513 L514 L515 I573 L574 R577V511-V513 PolarHBondContact O-N 3.25Å; V511-L514 PolarHBondContact O-N 3.39Å; V511-L515 HydrophobicContact CG1-CD1 3.99Å; V511-L515 HydrophobicContact CG1-CG 4.25Å; V511-L515 WeakPolarHBondContact O-CG 3.44Å; V511-L515 PolarHBondContact O-N 2.91Å; V511-I573 HydrophobicContact CB-CG2 4.37Å; V511-I573 HydrophobicContact CG2-CG2 3.37Å; V511-L574 HydrophobicContact CG1-CD2 4.4Å; V511-R577 HydrophobicContact CG1-CB 4.12Å; V511-R577 HydrophobicContact CG1-CG 4.1Å
512E84Confident74Confident97 Ų9752.5 Ų52.545%0.45329%0.285SS..Hα-helixtrans-63.2-37.2178.9-61.4-59.8158.600113.3P510 L515 N516P510-E512 PolarHBondContact O-N 3.48Å; E512-L515 PolarHBondContact O-N 3.46Å; E512-N516 WeakPolarHBondContact O-CB 3.21Å; E512-N516 PolarHBondContact O-N 2.99Å; E512-N516 PolarHBondContact O-ND2 3.45Å
513V81.9Confident75.9Confident50 Ų5046.6 Ų46.630%0.30326%0.255SS..Hα-helixtrans-69.4-41.1176.4169.80000110.2W509 P510 V511 N516 R517W509-V513 HydrophobicContact CB-CG1 4.47Å; W509-V513 HydrophobicContact CD2-CG1 4.27Å; W509-V513 HydrophobicContact CE3-CG1 4.21Å; W509-V513 HydrophobicContact CG-CG1 4.4Å; P510-V513 HydrophobicContact CG-CB 4.08Å; P510-V513 HydrophobicContact CG-CG2 3.6Å; P510-V513 PolarHBondContact O-N 3.31Å; V511-V513 PolarHBondContact O-N 3.25Å; V513-N516 PolarHBondContact O-N 3.26Å; V513-R517 WeakPolarHBondContact O-CG 3.35Å; V513-R517 PolarHBondContact O-N 2.79Å
514L81.3Confident77.5Confident0 Ų044.9 Ų44.90%025%0.25CC..Hα-helixtrans-61.8-45.3174.4-66.3171.1000111.1W509 P510 V511 R517 I518 L561 L566 Q570 I573 L574W509-L514 HydrophobicContact CB-CD2 4.46Å; W509-L514 HydrophobicContact CB-CG 4.31Å; W509-L514 HydrophobicContact CE3-CD2 3.81Å; W509-L514 HydrophobicContact CZ3-CD2 4.49Å; P510-L514 PolarHBondContact O-N 3.44Å; V511-L514 PolarHBondContact O-N 3.39Å; L514-R517 PolarHBondContact O-N 3.4Å; L514-I518 WeakPolarHBondContact O-CB 3.21Å; L514-I518 VanDerWaalsContact O-CG1 3.28Å; L514-I518 WeakPolarHBondContact O-CG1 3.36Å; L514-I518 PolarHBondContact O-N 2.99Å; L514-L561 HydrophobicContact CD2-CD1 4.27Å; L514-L566 HydrophobicContact CD2-CD2 4.17Å; L514-Q570 HydrophobicContact CD1-CB 3.98Å; L514-Q570 HydrophobicContact CD1-CG 4.18Å; L514-Q570 HydrophobicContact CD2-CB 4.07Å; L514-Q570 HydrophobicContact CD2-CG 3.92Å; L514-I573 HydrophobicContact CD1-CB 4.46Å; L514-I573 HydrophobicContact CD1-CG2 4.05Å; L514-L574 HydrophobicContact CB-CD1 4.38Å; L514-L574 HydrophobicContact CB-CD2 3.94Å; L514-L574 HydrophobicContact CB-CG 4.25Å; L514-L574 HydrophobicContact CD1-CG 4.14Å
515L85.8Confident78.8Confident3 Ų347.4 Ų47.42%0.01626%0.259CS..Hα-helixtrans-62.9-42.4175.5-73.3174.2000112V511 E512 R517 I518 R519 L574 Y578 F592 V596V511-L515 HydrophobicContact CG1-CD1 3.99Å; V511-L515 HydrophobicContact CG1-CG 4.25Å; V511-L515 WeakPolarHBondContact O-CG 3.44Å; V511-L515 PolarHBondContact O-N 2.91Å; E512-L515 PolarHBondContact O-N 3.46Å; L515-R517 VanDerWaalsContact C-N 3.34Å; L515-R517 PolarHBondContact O-N 3.08Å; L515-I518 PolarHBondContact O-N 3.26Å; L515-R519 VanDerWaalsContact O-CB 3.28Å; L515-R519 WeakPolarHBondContact O-CB 3.44Å; L515-R519 WeakPolarHBondContact O-CG 3.32Å; L515-R519 PolarHBondContact O-N 3.43Å; L515-L574 HydrophobicContact CD2-CD2 3.98Å; L515-L574 HydrophobicContact CG-CD2 4.17Å; L515-Y578 HydrophobicContact CD2-CE2 4.29Å; L515-Y578 WeakPolarHBondContact CD2-OH 3.39Å; L515-F592 HydrophobicContact CD2-CD2 4.32Å; L515-F592 HydrophobicContact CD2-CE2 4.1Å; L515-V596 HydrophobicContact CD2-CG2 4.4Å
516N83.6Confident80Confident51 Ų5150.7 Ų50.727%0.27325%0.25SC..Hα-helixtrans-63.8-37.7177.9-73.8-17.2000112.6E512 V513 R519 H520 Q621E512-N516 WeakPolarHBondContact O-CB 3.21Å; E512-N516 PolarHBondContact O-N 2.99Å; E512-N516 PolarHBondContact O-ND2 3.45Å; V513-N516 PolarHBondContact O-N 3.26Å; N516-R519 WeakPolarHBondContact O-CB 3.29Å; N516-R519 PolarHBondContact O-N 3.46Å; N516-R519 PolarHBondContact OD1-NH1 3.48Å; N516-H520 WeakPolarHBondContact O-CB 3.4Å; N516-H520 PolarHBondContact O-N 3.34Å; N516-Q621 HydrophobicContact CB-CG 4.34Å
517R79.4Confident81.1Confident51 Ų5151.6 Ų51.619%0.19225%0.252CS..Hα-helixtrans-70.7-41.1174-66.9179.2177.5-141.14.4112.4V513 L514 L515 R519 H520 L521 L561V513-R517 WeakPolarHBondContact O-CG 3.35Å; V513-R517 PolarHBondContact O-N 2.79Å; L514-R517 PolarHBondContact O-N 3.4Å; L515-R517 VanDerWaalsContact C-N 3.34Å; L515-R517 PolarHBondContact O-N 3.08Å; R517-R519 VanDerWaalsContact C-N 3.31Å; R517-R519 PolarHBondContact O-N 3.17Å; R517-H520 WeakPolarHBondContact O-CB 3.29Å; R517-H520 PolarHBondContact O-N 2.74Å; R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 2.99Å; R517-L561 HydrophobicContact CB-CD2 3.41Å; R517-L561 VanDerWaalsContact CB-CD2 3.41Å; R517-L561 HydrophobicContact CG-CD2 4.41Å
518I84.8Confident82.1Confident0 Ų055.7 Ų55.70%028%0.279CS..Hα-helixtrans-59.7-44.9172.7-71.3167.5000110.2L514 L515 H520 L521 V522 L558 L574 F592 V596L514-I518 WeakPolarHBondContact O-CB 3.21Å; L514-I518 VanDerWaalsContact O-CG1 3.28Å; L514-I518 WeakPolarHBondContact O-CG1 3.36Å; L514-I518 PolarHBondContact O-N 2.99Å; L515-I518 PolarHBondContact O-N 3.26Å; I518-H520 PolarHBondContact O-N 3.18Å; I518-L521 PolarHBondContact O-N 3.38Å; I518-V522 HydrophobicContact CG2-CG2 4.3Å; I518-V522 WeakPolarHBondContact O-CB 3.49Å; I518-V522 VanDerWaalsContact O-CG2 3.24Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.29Å; I518-L558 HydrophobicContact CG2-CD1 3.87Å; I518-L558 HydrophobicContact CG2-CD2 4.17Å; I518-L574 HydrophobicContact CD1-CD1 3.56Å; I518-L574 HydrophobicContact CD1-CD2 4.06Å; I518-L574 HydrophobicContact CD1-CG 4.49Å; I518-F592 HydrophobicContact CG2-CZ 4.3Å; I518-V596 HydrophobicContact CG2-CG1 4.05Å; I518-V596 HydrophobicContact CG2-CG2 4.02Å
519R86.8Confident83Confident30 Ų3047.6 Ų47.611%0.11324%0.242CC..Hα-helixtrans-57-45.9173.8-78.9-179-170123.63.4112L515 N516 R517 V522 L523 D595 V596 V599L515-R519 VanDerWaalsContact O-CB 3.28Å; L515-R519 WeakPolarHBondContact O-CB 3.44Å; L515-R519 WeakPolarHBondContact O-CG 3.32Å; L515-R519 PolarHBondContact O-N 3.43Å; N516-R519 WeakPolarHBondContact O-CB 3.29Å; N516-R519 PolarHBondContact O-N 3.46Å; N516-R519 PolarHBondContact OD1-NH1 3.48Å; R517-R519 VanDerWaalsContact C-N 3.31Å; R517-R519 PolarHBondContact O-N 3.17Å; R519-V522 PolarHBondContact O-N 3.2Å; R519-L523 WeakPolarHBondContact O-CB 3.2Å; R519-L523 PolarHBondContact O-N 2.89Å; R519-D595 PolarHBondContact NE-O 3.33Å; R519-D595 PolarHBondContact NH2-O 2.88Å; R519-V596 HydrophobicContact CG-CG1 4.33Å; R519-V599 HydrophobicContact CB-CG2 3.38Å; R519-V599 HydrophobicContact CG-CG2 3.37Å
520H83.8Confident83.8Confident25 Ų2548.6 Ų48.612%0.11625%0.248CC..Hα-helixtrans-60.9-48.6175.8173.866.2000112.2N516 R517 I518 V522 L523 V524 Q621N516-H520 WeakPolarHBondContact O-CB 3.4Å; N516-H520 PolarHBondContact O-N 3.34Å; R517-H520 WeakPolarHBondContact O-CB 3.29Å; R517-H520 PolarHBondContact O-N 2.74Å; I518-H520 PolarHBondContact O-N 3.18Å; H520-V522 VanDerWaalsContact C-N 3.35Å; H520-V522 PolarHBondContact O-N 3.21Å; H520-L523 WeakPolarHBondContact O-CB 3.16Å; H520-L523 PolarHBondContact O-N 3.35Å; H520-V524 VanDerWaalsContact CE1-CG2 3.4Å; H520-V524 WeakPolarHBondContact CE1-CG2 3.44Å; H520-V524 WeakPolarHBondContact O-CB 3.45Å; H520-V524 WeakPolarHBondContact O-CG2 3.41Å; H520-V524 PolarHBondContact O-N 3.24Å; H520-Q621 HydrophobicContact CB-CB 3.97Å; H520-Q621 HydrophobicContact CB-CG 3.81Å; H520-Q621 PolarHBondContact CE1-O 2.83Å; H520-Q621 PolarHBondContact ND1-N 3.46Å; H520-Q621 VanDerWaalsContact ND1-N 3.16Å
521L81.9Confident84.1Confident12 Ų1248.2 Ų48.26%0.06325%0.245CC..Hα-helixtrans-61.5-43.1177.2-72.6177.7000112.1R517 I518 L523 V524 N525 L558 R560 L561R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 2.99Å; I518-L521 PolarHBondContact O-N 3.38Å; L521-L523 VanDerWaalsContact C-N 3.3Å; L521-L523 PolarHBondContact O-N 3.4Å; L521-V524 PolarHBondContact O-N 3.46Å; L521-N525 VanDerWaalsContact O-CB 3.28Å; L521-N525 WeakPolarHBondContact O-CB 3.49Å; L521-N525 PolarHBondContact O-N 2.71Å; L521-L558 HydrophobicContact CB-CD2 4.09Å; L521-L558 HydrophobicContact CD1-CD2 4.36Å; L521-R560 WeakPolarHBondContact CD1-O 3.25Å; L521-L561 HydrophobicContact CD1-CD2 3.75Å; L521-L561 HydrophobicContact CD1-CG 4.39Å
522V85.7Confident84.2Confident0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-62.6-38.6176.11690000110.9I518 R519 H520 R526 I527 L529 L558 V596 F600I518-V522 HydrophobicContact CG2-CG2 4.3Å; I518-V522 WeakPolarHBondContact O-CB 3.49Å; I518-V522 VanDerWaalsContact O-CG2 3.24Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.29Å; R519-V522 PolarHBondContact O-N 3.2Å; H520-V522 VanDerWaalsContact C-N 3.35Å; H520-V522 PolarHBondContact O-N 3.21Å; V522-R526 CarbonylContact O-C 3.58Å; V522-R526 WeakPolarHBondContact O-CA 3.17Å; V522-R526 PolarHBondContact O-N 2.89Å; V522-I527 HydrophobicContact CG2-CB 4.39Å; V522-I527 PolarHBondContact O-N 3.03Å; V522-L529 HydrophobicContact CG2-CD1 4.23Å; V522-L529 HydrophobicContact CG2-CD2 4.28Å; V522-L529 HydrophobicContact CG2-CG 4.39Å; V522-L558 HydrophobicContact CG2-CD1 4.43Å; V522-L558 HydrophobicContact CG2-CD2 3.8Å; V522-V596 HydrophobicContact CB-CG1 4.08Å; V522-V596 HydrophobicContact CG1-CG1 4.17Å; V522-V596 HydrophobicContact CG2-CG1 3.77Å; V522-F600 HydrophobicContact CG1-CE2 3.5Å; V522-F600 VanDerWaalsContact CG1-CE2 3.5Å; V522-F600 HydrophobicContact CG1-CZ 3.94Å; V522-F600 WeakPolarHBondContact O-CZ 3.41Å
523L85.5Confident84.5Confident17 Ų1743.3 Ų43.39%0.08923%0.227CC..Hα-helixtrans-66.2-51.9175.9-175.359.2000112.2R519 H520 L521 V599 F600 Q616 F619 I620R519-L523 WeakPolarHBondContact O-CB 3.2Å; R519-L523 PolarHBondContact O-N 2.89Å; H520-L523 WeakPolarHBondContact O-CB 3.16Å; H520-L523 PolarHBondContact O-N 3.35Å; L521-L523 VanDerWaalsContact C-N 3.3Å; L521-L523 PolarHBondContact O-N 3.4Å; L523-V599 HydrophobicContact CB-CG1 3.65Å; L523-V599 HydrophobicContact CD1-CG1 3.71Å; L523-V599 HydrophobicContact CD2-CG1 4.15Å; L523-V599 HydrophobicContact CG-CG1 4.02Å; L523-F600 HydrophobicContact CD1-CE1 4.21Å; L523-Q616 HydrophobicContact CD1-CB 4.05Å; L523-Q616 HydrophobicContact CD1-CG 4.19Å; L523-Q616 HydrophobicContact CD2-CB 4.35Å; L523-Q616 VanDerWaalsContact CD2-O 3.28Å; L523-Q616 WeakPolarHBondContact CD2-O 3.17Å; L523-F619 HydrophobicContact CD2-CB 4.22Å; L523-I620 HydrophobicContact CD2-CG1 3.79Å
524V82.5Confident84.8Confident88 Ų8843.9 Ų43.953%0.53323%0.226SC..Hα-helixtrans-65.9-46.4-174.8171.90000110.7H520 L521H520-V524 VanDerWaalsContact CE1-CG2 3.4Å; H520-V524 WeakPolarHBondContact CE1-CG2 3.44Å; H520-V524 WeakPolarHBondContact O-CB 3.45Å; H520-V524 WeakPolarHBondContact O-CG2 3.41Å; H520-V524 PolarHBondContact O-N 3.24Å; L521-V524 PolarHBondContact O-N 3.46Å
525N82.2Confident85.2Confident102 Ų10249.6 Ų49.655%0.54526%0.257SS..Hα-helixtrans-89.8-6.2-177.9-64-36.4000113.5L521 I527L521-N525 VanDerWaalsContact O-CB 3.28Å; L521-N525 WeakPolarHBondContact O-CB 3.49Å; L521-N525 PolarHBondContact O-N 2.71Å; N525-I527 HydrophobicContact CB-CD1 3.69Å; N525-I527 HydrophobicContact CB-CG1 3.63Å; N525-I527 PolarHBondContact O-N 3.39Å
526R84.1Confident85.2Confident174 Ų17452.6 Ų52.666%0.65727%0.27SS*.THydrogen-bonded Turntrans52.648.1-177.2-61.8-178.2175.3-98.5-2.9113.2V522 P528V522-R526 CarbonylContact O-C 3.58Å; V522-R526 WeakPolarHBondContact O-CA 3.17Å; V522-R526 PolarHBondContact O-N 2.89Å; R526-P528 WeakPolarHBondContact O-CD 3.19Å
527I84.3Confident85.5Confident25 Ų2550.5 Ų50.513%0.12826%0.258CS..  trans-80.3119.6-172.6-60.6159.4000111V522 N525 L529 A556 L558V522-I527 HydrophobicContact CG2-CB 4.39Å; V522-I527 PolarHBondContact O-N 3.03Å; N525-I527 HydrophobicContact CB-CD1 3.69Å; N525-I527 HydrophobicContact CB-CG1 3.63Å; N525-I527 PolarHBondContact O-N 3.39Å; I527-L529 HydrophobicContact CG2-CD2 4.08Å; I527-L529 PolarHBondContact O-N 3.43Å; I527-A556 WeakPolarHBondContact CD1-O 3.33Å; I527-A556 HydrophobicContact CG2-CB 4.03Å; I527-L558 HydrophobicContact CD1-CD2 3.96Å
528P85.1Confident85.8Confident93 Ų9358.8 Ų58.860%0.60429%0.29SS*.  trans-79.6112.717431.5-32.1000110.7R526 P531R526-P528 WeakPolarHBondContact O-CD 3.19Å; P528-P531 HydrophobicContact CB-CG 4.2Å; P528-P531 WeakPolarHBondContact O-CD 3.29Å
529L86.4Confident86Confident5 Ų566.3 Ų66.33%0.02633%0.329CS..Hα-helixtrans-80.4-37.1-177.4-62179.2000113.6V522 I527 G532 F533 A556 L558 F592 V593 V596V522-L529 HydrophobicContact CG2-CD1 4.23Å; V522-L529 HydrophobicContact CG2-CD2 4.28Å; V522-L529 HydrophobicContact CG2-CG 4.39Å; I527-L529 HydrophobicContact CG2-CD2 4.08Å; I527-L529 PolarHBondContact O-N 3.43Å; L529-G532 PolarHBondContact O-N 3.1Å; L529-F533 HydrophobicContact CB-CD2 4.48Å; L529-F533 HydrophobicContact CB-CE2 4.31Å; L529-F533 VanDerWaalsContact O-CD2 3.28Å; L529-F533 WeakPolarHBondContact O-CD2 3.31Å; L529-F533 PolarHBondContact O-N 3.35Å; L529-A556 HydrophobicContact CD2-CB 4.07Å; L529-L558 HydrophobicContact CD2-CD1 3.61Å; L529-F592 HydrophobicContact CD1-CE1 4.11Å; L529-V593 HydrophobicContact CB-CG2 3.93Å; L529-V596 HydrophobicContact CD1-CB 3.79Å; L529-V596 HydrophobicContact CD1-CG1 3.55Å; L529-V596 HydrophobicContact CD1-CG2 4.34Å
530K87.6Confident85.9Confident84 Ų8473.7 Ų73.737%0.36536%0.357SS..Hα-helixtrans-51.9-46.9-176.7-75.1173.7171.7151.30114.6G532 F533 H534 V593 E597K530-G532 VanDerWaalsContact C-N 3.34Å; K530-G532 PolarHBondContact O-N 3.35Å; K530-F533 PolarHBondContact O-N 2.91Å; K530-H534 PolarHBondContact O-CD2 3.33Å; K530-H534 VanDerWaalsContact O-CD2 3.22Å; K530-H534 PolarHBondContact O-N 3.11Å; K530-V593 HydrophobicContact CD-CG1 4.32Å; K530-V593 HydrophobicContact CG-CG1 3.58Å; K530-E597 WeakPolarHBondContact CD-OE1 3.33Å; K530-E597 WeakPolarHBondContact CE-OE1 3.34Å; K530-E597 WeakPolarHBondContact CE-OE2 3.48Å; K530-E597 WeakPolarHBondContact CG-OE1 3.44Å; K530-E597 IonicContact NZ-OE1 2.69Å; K530-E597 IonicContact NZ-OE2 3.74Å; K530-E597 PolarHBondContact NZ-OE2 3.1Å
531P87.1Confident86Confident70 Ų7075.4 Ų75.446%0.45537%0.372SS..Hα-helixtrans-58.8-43.1-179-24.635.4000112.9P528 F533 H534 D535P528-P531 HydrophobicContact CB-CG 4.2Å; P528-P531 WeakPolarHBondContact O-CD 3.29Å; P531-F533 VanDerWaalsContact C-N 3.33Å; P531-F533 PolarHBondContact O-N 3.33Å; P531-H534 PolarHBondContact O-N 3.43Å; P531-D535 PolarHBondContact O-N 3.25Å
532G84.9Confident86.4Confident27 Ų2774.9 Ų74.928%0.27837%0.37SS..Hα-helixtrans-62.7-37.8-178.600000113.2L529 K530 F536 C552L529-G532 PolarHBondContact O-N 3.1Å; K530-G532 VanDerWaalsContact C-N 3.34Å; K530-G532 PolarHBondContact O-N 3.35Å; G532-F536 WeakPolarHBondContact O-CD2 3.29Å; G532-C552 PolarHBondContact O-SG 3.13Å
533F89.9Confident86.6Confident3 Ų379 Ų791%0.01339%0.386CS..Hα-helixtrans-77.7-33.5176.5-70.8-74.1000113.4L529 K530 P531 D535 F536 D537 V544 F549 C552 W589 F592 V593L529-F533 HydrophobicContact CB-CD2 4.48Å; L529-F533 HydrophobicContact CB-CE2 4.31Å; L529-F533 VanDerWaalsContact O-CD2 3.28Å; L529-F533 WeakPolarHBondContact O-CD2 3.31Å; L529-F533 PolarHBondContact O-N 3.35Å; K530-F533 PolarHBondContact O-N 2.91Å; P531-F533 VanDerWaalsContact C-N 3.33Å; P531-F533 PolarHBondContact O-N 3.33Å; F533-D535 PolarHBondContact O-N 3.21Å; F533-F536 PolarHBondContact O-N 2.99Å; F533-D537 PolarHBondContact O-N 3.36Å; F533-V544 HydrophobicContact CD1-CG2 4.26Å; F533-V544 HydrophobicContact CE1-CG2 4.45Å; F533-F549 AromaticContact CE1-CD2 3.48Å; F533-F549 HydrophobicContact CE1-CD2 3.48Å; F533-F549 VanDerWaalsContact CE1-CD2 3.48Å; F533-F549 AromaticContact CE1-CE2 3.85Å; F533-F549 HydrophobicContact CE1-CE2 3.85Å; F533-F549 HydrophobicContact CE1-CG 4.32Å; F533-F549 AromaticContact CZ-CD2 3.93Å; F533-F549 HydrophobicContact CZ-CD2 3.93Å; F533-F549 AromaticContact CZ-CE2 3.82Å; F533-F549 HydrophobicContact CZ-CE2 3.82Å; F533-C552 HydrophobicContact CD1-CB 3.79Å; F533-C552 WeakPolarHBondContact CD1-SG 2.99Å; F533-C552 HydrophobicContact CE1-CB 3.45Å; F533-C552 VanDerWaalsContact CE1-CB 3.45Å; F533-C552 HydrophobicContact CE2-CB 4.31Å; F533-C552 HydrophobicContact CG-CB 4.36Å; F533-C552 HydrophobicContact CZ-CB 3.74Å; F533-W589 HydrophobicContact CB-CB 4.34Å; F533-W589 HydrophobicContact CB-CD2 3.42Å; F533-W589 VanDerWaalsContact CB-CD2 3.42Å; F533-W589 HydrophobicContact CB-CE3 3.26Å; F533-W589 HydrophobicContact CB-CG 3.92Å; F533-W589 HydrophobicContact CB-CH2 4.19Å; F533-W589 HydrophobicContact CB-CZ2 4.34Å; F533-W589 HydrophobicContact CB-CZ3 3.67Å; F533-W589 HydrophobicContact CD1-CB 3.41Å; F533-W589 VanDerWaalsContact CD1-CB 3.41Å; F533-W589 HydrophobicContact CD1-CD2 4.23Å; F533-W589 HydrophobicContact CD1-CE3 4.38Å; F533-W589 AromaticContact CD1-CG 3.85Å; F533-W589 HydrophobicContact CD1-CG 3.85Å; F533-W589 HydrophobicContact CD2-CB 4.5Å; F533-W589 AromaticContact CD2-CE3 3.95Å; F533-W589 HydrophobicContact CD2-CE3 3.95Å; F533-W589 HydrophobicContact CE1-CB 3.75Å; F533-W589 HydrophobicContact CG-CB 3.84Å; F533-W589 AromaticContact CG-CD2 3.85Å; F533-W589 HydrophobicContact CG-CD2 3.85Å; F533-W589 AromaticContact CG-CE3 3.62Å; F533-W589 HydrophobicContact CG-CE3 3.62Å; F533-W589 AromaticContact CG-CG 3.98Å; F533-W589 HydrophobicContact CG-CG 3.98Å; F533-W589 HydrophobicContact CG-CZ3 4.39Å; F533-W589 HydrophobicContact CZ-CB 4.43Å; F533-F592 AromaticContact CE2-CD1 3.83Å; F533-F592 HydrophobicContact CE2-CD1 3.83Å; F533-F592 AromaticContact CE2-CE1 3.88Å; F533-F592 HydrophobicContact CE2-CE1 3.88Å; F533-F592 AromaticContact CZ-CD1 3.69Å; F533-F592 HydrophobicContact CZ-CD1 3.69Å; F533-F592 AromaticContact CZ-CE1 3.77Å; F533-F592 HydrophobicContact CZ-CE1 3.77Å; F533-V593 HydrophobicContact CD2-CG2 3.58Å; F533-V593 HydrophobicContact CE2-CG2 3.75Å
534H89.1Confident86.9Confident62 Ų6278.2 Ų78.229%0.28738%0.382SS..Hα-helixtrans-60.6-31.9177.2-87.1-50.2000113.1K530 P531 F536 D537 W589K530-H534 PolarHBondContact O-CD2 3.33Å; K530-H534 VanDerWaalsContact O-CD2 3.22Å; K530-H534 PolarHBondContact O-N 3.11Å; P531-H534 PolarHBondContact O-N 3.43Å; H534-F536 VanDerWaalsContact C-N 3.3Å; H534-F536 PolarHBondContact O-N 3.3Å; H534-D537 CarbonylContact O-C 3.58Å; H534-W589 AromaticContact CE1-CH2 3.68Å; H534-W589 AromaticContact ND1-CH2 3.9Å; H534-W589 AromaticContact NE2-CH2 3.98Å
535D87.8Confident87.2Confident120 Ų12076 Ų7664%0.64237%0.369SS*.Hα-helixtrans-66.5-31.8179-69.2-19.1000112.9P531 F533P531-D535 PolarHBondContact O-N 3.25Å; F533-D535 PolarHBondContact O-N 3.21Å
536F86.6Confident87.5Confident66 Ų6675.3 Ų75.329%0.28936%0.358SS..Hα-helixtrans-89.8-34.5177.5-68-77000113G532 F533 H534 R538 V544 Q548 R551 C552G532-F536 WeakPolarHBondContact O-CD2 3.29Å; F533-F536 PolarHBondContact O-N 2.99Å; H534-F536 VanDerWaalsContact C-N 3.3Å; H534-F536 PolarHBondContact O-N 3.3Å; F536-R538 PolarHBondContact O-N 3.23Å; F536-V544 HydrophobicContact CB-CG1 4.03Å; F536-Q548 HydrophobicContact CB-CB 4.16Å; F536-Q548 HydrophobicContact CB-CG 4.23Å; F536-Q548 HydrophobicContact CD1-CB 4.03Å; F536-Q548 HydrophobicContact CD1-CG 3.62Å; F536-Q548 HydrophobicContact CE1-CG 4.26Å; F536-Q548 HydrophobicContact CG-CB 4.07Å; F536-Q548 HydrophobicContact CG-CG 4.1Å; F536-R551 HydrophobicContact CE2-CB 4.43Å; F536-R551 HydrophobicContact CZ-CB 3.97Å; F536-C552 WeakPolarHBondContact CD2-SG 3.16Å; F536-C552 VanDerWaalsContact CE2-SG 3.53Å
537D89.5Confident87.6Confident6 Ų669.8 Ų69.83%0.03235%0.347CS..  trans-95.465.4176.5-17520000111.7F533 H534 L539 R540 S541 G542 V544 W589F533-D537 PolarHBondContact O-N 3.36Å; H534-D537 CarbonylContact O-C 3.58Å; D537-L539 PolarHBondContact O-N 2.91Å; D537-L539 VanDerWaalsContact O-N 3.11Å; D537-R540 PolarHBondContact O-N 3.44Å; D537-R540 PolarHBondContact OD1-N 3.33Å; D537-R540 VanDerWaalsContact OD2-C 3.3Å; D537-R540 WeakPolarHBondContact OD2-CA 2.99Å; D537-S541 VanDerWaalsContact CG-N 3.29Å; D537-S541 WeakPolarHBondContact OD1-CB 3.25Å; D537-S541 PolarHBondContact OD1-N 3.19Å; D537-S541 PolarHBondContact OD1-OG 3.13Å; D537-S541 PolarHBondContact OD2-N 2.99Å; D537-G542 WeakPolarHBondContact OD2-CA 2.97Å; D537-G542 PolarHBondContact OD2-N 3.42Å; D537-V544 HydrophobicContact CB-CG1 3.99Å; D537-W589 HydrophobicContact CB-CZ2 4.42Å; D537-W589 PolarHBondContact OD2-NE1 3.22Å
538R86Confident87.9Confident225 Ų22570.7 Ų70.785%0.84935%0.35SS*.THydrogen-bonded Turntrans-57.5-26.7-179.8-64.2-176-179.9-175.3-1.5113.5F536 R540F536-R538 PolarHBondContact O-N 3.23Å; R538-R540 VanDerWaalsContact C-N 3.34Å
539L88.3Confident88.1Confident159 Ų15966.3 Ų66.383%0.83232%0.322SS*.THydrogen-bonded Turntrans-86.8-3.2178.6-65.1177.7000113.1D537 S541D537-L539 PolarHBondContact O-N 2.91Å; D537-L539 VanDerWaalsContact O-N 3.11Å; L539-S541 PolarHBondContact O-N 3.34Å
540R85.2Confident88.1Confident184 Ų18470.5 Ų70.569%0.69434%0.341SS*.  trans50.336.8-173.2-57.3-178.3179.3-115.9-1.8112.1D537 R538 G542D537-R540 PolarHBondContact O-N 3.44Å; D537-R540 PolarHBondContact OD1-N 3.33Å; D537-R540 VanDerWaalsContact OD2-C 3.3Å; D537-R540 WeakPolarHBondContact OD2-CA 2.99Å; R538-R540 VanDerWaalsContact C-N 3.34Å; R540-G542 PolarHBondContact O-N 2.98Å
541S87.2Confident88Confident61 Ų6172.4 Ų72.443%0.42735%0.346SS..  trans-67.2-20.7179.465.20000112.7D537 L539 Y543D537-S541 VanDerWaalsContact CG-N 3.29Å; D537-S541 WeakPolarHBondContact OD1-CB 3.25Å; D537-S541 PolarHBondContact OD1-N 3.19Å; D537-S541 PolarHBondContact OD1-OG 3.13Å; D537-S541 PolarHBondContact OD2-N 2.99Å; L539-S541 PolarHBondContact O-N 3.34Å; S541-Y543 VanDerWaalsContact C-N 3.31Å; S541-Y543 WeakPolarHBondContact O-CD2 3.28Å; S541-Y543 WeakPolarHBondContact O-CE2 3.4Å; S541-Y543 PolarHBondContact OG-N 3.28Å; S541-Y543 PolarHBondContact OG-O 3.3Å
542G89Confident88Confident2 Ų269.3 Ų69.32%0.02133%0.326CS..SBendtrans84.63-170.500000113.9D537 R540 N588 W589D537-G542 WeakPolarHBondContact OD2-CA 2.97Å; D537-G542 PolarHBondContact OD2-N 3.42Å; R540-G542 PolarHBondContact O-N 2.98Å; G542-N588 WeakPolarHBondContact O-CA 3.35Å; G542-W589 VanDerWaalsContact C-NE1 3.28Å; G542-W589 PolarHBondContact O-N 3.1Å
543Y91.2Very high88Confident87 Ų8768.1 Ų68.134%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-125.2139.9-174.1-60.9-80.7000112S541 S580 M586 V587 N588S541-Y543 VanDerWaalsContact C-N 3.31Å; S541-Y543 WeakPolarHBondContact O-CD2 3.28Å; S541-Y543 WeakPolarHBondContact O-CE2 3.4Å; S541-Y543 PolarHBondContact OG-N 3.28Å; S541-Y543 PolarHBondContact OG-O 3.3Å; Y543-S580 VanDerWaalsContact CE1-CB 3.46Å; Y543-S580 WeakPolarHBondContact CE1-OG 3.42Å; Y543-M586 HydrophobicContact CD1-CB 4.29Å; Y543-V587 WeakPolarHBondContact CA-O 3.2Å; Y543-N588 HydrophobicContact CD1-CB 4.27Å; Y543-N588 HydrophobicContact CE1-CB 4.03Å
544V90.5Very high87.7Confident0 Ų071.6 Ų71.60%034%0.335CS..EExtended strand (participates in β ladder)trans-132.8153.3173.5-70.40000109.7F533 F536 D537 Q548 F549 M586 V587 W589F533-V544 HydrophobicContact CD1-CG2 4.26Å; F533-V544 HydrophobicContact CE1-CG2 4.45Å; F536-V544 HydrophobicContact CB-CG1 4.03Å; D537-V544 HydrophobicContact CB-CG1 3.99Å; V544-Q548 HydrophobicContact CB-CB 3.95Å; V544-F549 HydrophobicContact CG2-CB 3.98Å; V544-F549 HydrophobicContact CG2-CD2 4.23Å; V544-M586 CarbonylContact O-C 3.56Å; V544-M586 WeakPolarHBondContact O-CA 3.48Å; V544-V587 HydrophobicContact CG2-CB 4.34Å; V544-V587 PolarHBondContact N-O 3.16Å; V544-V587 PolarHBondContact O-N 2.9Å; V544-W589 HydrophobicContact CG1-CG 4.33Å; V544-W589 HydrophobicContact CG2-CB 3.95Å; V544-W589 HydrophobicContact CG2-CG 4.34Å
545T89.5Confident87.5Confident42 Ų4272.6 Ų72.626%0.25835%0.354SS..EExtended strand (participates in β ladder)trans-67.3156.7175.671.30000111.1S547 Q548 F549 N585 M586T545-S547 PolarHBondContact O-N 3.46Å; T545-S547 PolarHBondContact OG1-OG 2.92Å; T545-Q548 WeakPolarHBondContact O-CA 3.36Å; T545-Q548 WeakPolarHBondContact O-CB 3.24Å; T545-Q548 PolarHBondContact O-N 3.47Å; T545-Q548 WeakPolarHBondContact OG1-CB 3.44Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.11Å; T545-Q548 PolarHBondContact OG1-N 3.37Å; T545-F549 PolarHBondContact O-N 3.48Å; T545-N585 WeakPolarHBondContact CA-O 3.47Å; T545-M586 HydrophobicContact CG2-SD 4.19Å
546R88.5Confident87.1Confident86 Ų8668.1 Ų68.133%0.32533%0.333SS..Hα-helixtrans-49.7-43.6176-61.1-173.4178.8-149.1-7.3113F549 E550 V575 D576 P584 N585 V587R546-F549 WeakPolarHBondContact O-CB 3.43Å; R546-F549 PolarHBondContact O-N 3.08Å; R546-E550 PolarHBondContact O-N 3.2Å; R546-V575 HydrophobicContact CB-CG1 4.32Å; R546-V575 HydrophobicContact CG-CG1 3.78Å; R546-D576 IonicContact NH1-OD1 3.7Å; R546-D576 IonicContact NH2-OD1 2.89Å; R546-P584 PolarHBondContact NE-O 2.91Å; R546-P584 PolarHBondContact NH2-O 3.22Å; R546-N585 PolarHBondContact N-O 3.47Å; R546-V587 HydrophobicContact CG-CG2 4.05Å
547S86.6Confident86.7Confident59 Ų5966.9 Ų66.941%0.41334%0.34SS..Hα-helixtrans-73.8-24.7177.9640000114.2T545 R551T545-S547 PolarHBondContact O-N 3.46Å; T545-S547 PolarHBondContact OG1-OG 2.92Å; S547-R551 WeakPolarHBondContact O-CB 3.35Å; S547-R551 VanDerWaalsContact O-CG 3.29Å; S547-R551 WeakPolarHBondContact O-CG 3.44Å; S547-R551 PolarHBondContact O-N 3.32Å; S547-R551 PolarHBondContact O-NE 2.83Å
548Q89.4Confident85.9Confident44 Ų4466.6 Ų66.621%0.20634%0.338CS..Hα-helixtrans-74.2-40.8170.6-73.5169.9-16.100110.4F536 V544 T545 R551 C552F536-Q548 HydrophobicContact CB-CB 4.16Å; F536-Q548 HydrophobicContact CB-CG 4.23Å; F536-Q548 HydrophobicContact CD1-CB 4.03Å; F536-Q548 HydrophobicContact CD1-CG 3.62Å; F536-Q548 HydrophobicContact CE1-CG 4.26Å; F536-Q548 HydrophobicContact CG-CB 4.07Å; F536-Q548 HydrophobicContact CG-CG 4.1Å; V544-Q548 HydrophobicContact CB-CB 3.95Å; T545-Q548 WeakPolarHBondContact O-CA 3.36Å; T545-Q548 WeakPolarHBondContact O-CB 3.24Å; T545-Q548 PolarHBondContact O-N 3.47Å; T545-Q548 WeakPolarHBondContact OG1-CB 3.44Å; T545-Q548 WeakPolarHBondContact OG1-CG 3.11Å; T545-Q548 PolarHBondContact OG1-N 3.37Å; Q548-R551 PolarHBondContact O-N 2.91Å; Q548-C552 PolarHBondContact O-N 3.23Å; Q548-C552 PolarHBondContact O-SG 3.37Å
549F89.4Confident84.8Confident0 Ų057.5 Ų57.50%031%0.308CS..Hα-helixtrans-59.2-48.5175-174.3-94.2000111.6F533 V544 T545 R546 R551 C552 L553 V575 V587 F592F533-F549 AromaticContact CE1-CD2 3.48Å; F533-F549 HydrophobicContact CE1-CD2 3.48Å; F533-F549 VanDerWaalsContact CE1-CD2 3.48Å; F533-F549 AromaticContact CE1-CE2 3.85Å; F533-F549 HydrophobicContact CE1-CE2 3.85Å; F533-F549 HydrophobicContact CE1-CG 4.32Å; F533-F549 AromaticContact CZ-CD2 3.93Å; F533-F549 HydrophobicContact CZ-CD2 3.93Å; F533-F549 AromaticContact CZ-CE2 3.82Å; F533-F549 HydrophobicContact CZ-CE2 3.82Å; V544-F549 HydrophobicContact CG2-CB 3.98Å; V544-F549 HydrophobicContact CG2-CD2 4.23Å; T545-F549 PolarHBondContact O-N 3.48Å; R546-F549 WeakPolarHBondContact O-CB 3.43Å; R546-F549 PolarHBondContact O-N 3.08Å; F549-R551 PolarHBondContact O-N 2.83Å; F549-C552 WeakPolarHBondContact O-CB 3.43Å; F549-C552 PolarHBondContact O-N 2.82Å; F549-C552 VanDerWaalsContact O-N 3.14Å; F549-L553 HydrophobicContact CD1-CD1 4Å; F549-L553 HydrophobicContact CD1-CG 4.38Å; F549-L553 HydrophobicContact CE1-CD1 3.56Å; F549-L553 HydrophobicContact CE1-CG 4.12Å; F549-L553 HydrophobicContact CZ-CD1 4.29Å; F549-L553 PolarHBondContact O-N 3.15Å; F549-V575 HydrophobicContact CD1-CG2 3.48Å; F549-V575 VanDerWaalsContact CD1-CG2 3.48Å; F549-V575 HydrophobicContact CE1-CG2 3.88Å; F549-V575 HydrophobicContact CG-CG2 4.35Å; F549-V587 HydrophobicContact CB-CB 4.37Å; F549-V587 HydrophobicContact CB-CG2 4.33Å; F549-V587 HydrophobicContact CD2-CB 4.26Å; F549-V587 HydrophobicContact CD2-CG1 3.66Å; F549-V587 HydrophobicContact CE2-CG1 3.98Å; F549-V587 HydrophobicContact CG-CB 4.41Å; F549-V587 HydrophobicContact CG-CG1 4.03Å; F549-F592 HydrophobicContact CE2-CB 4.05Å; F549-F592 AromaticContact CE2-CD1 3.69Å; F549-F592 HydrophobicContact CE2-CD1 3.69Å; F549-F592 HydrophobicContact CE2-CD2 4.35Å; F549-F592 HydrophobicContact CE2-CE1 4.22Å; F549-F592 AromaticContact CE2-CG 3.76Å; F549-F592 HydrophobicContact CE2-CG 3.76Å; F549-F592 HydrophobicContact CZ-CB 4.4Å; F549-F592 AromaticContact CZ-CD1 3.92Å; F549-F592 HydrophobicContact CZ-CD1 3.92Å; F549-F592 AromaticContact CZ-CD2 3.92Å; F549-F592 HydrophobicContact CZ-CD2 3.92Å; F549-F592 HydrophobicContact CZ-CE1 4.13Å; F549-F592 HydrophobicContact CZ-CE2 4.13Å; F549-F592 AromaticContact CZ-CG 3.8Å; F549-F592 HydrophobicContact CZ-CG 3.8Å; F549-F592 HydrophobicContact CZ-CZ 4.22Å
550E86.6Confident83.6Confident93 Ų9358.4 Ų58.444%0.43530%0.3SS..Hα-helixtrans-57.7-47.6174.8-176.2-179.8-175.700111.7R546 C552 L553 T554 V571R546-E550 PolarHBondContact O-N 3.2Å; E550-C552 VanDerWaalsContact C-N 3.28Å; E550-C552 PolarHBondContact O-N 3.14Å; E550-L553 WeakPolarHBondContact O-CB 3.34Å; E550-L553 PolarHBondContact O-N 2.97Å; E550-L553 VanDerWaalsContact O-N 3.09Å; E550-T554 PolarHBondContact O-N 3.33Å; E550-T554 PolarHBondContact O-OG1 3.35Å; E550-V571 HydrophobicContact CB-CG1 4.32Å; E550-V571 HydrophobicContact CG-CG1 4.19Å
551R85.5Confident82.3Confident125 Ų12549.7 Ų49.747%0.47227%0.267SS..Hα-helixtrans-59.9-35.5175.5-79.1-178.7-75.3172.6-5.9113.2F536 S547 Q548 F549 A555F536-R551 HydrophobicContact CE2-CB 4.43Å; F536-R551 HydrophobicContact CZ-CB 3.97Å; S547-R551 WeakPolarHBondContact O-CB 3.35Å; S547-R551 VanDerWaalsContact O-CG 3.29Å; S547-R551 WeakPolarHBondContact O-CG 3.44Å; S547-R551 PolarHBondContact O-N 3.32Å; S547-R551 PolarHBondContact O-NE 2.83Å; Q548-R551 PolarHBondContact O-N 2.91Å; F549-R551 PolarHBondContact O-N 2.83Å; R551-A555 WeakPolarHBondContact O-CB 3.27Å; R551-A555 PolarHBondContact O-N 2.82Å
552C87.2Confident80.7Confident4 Ų450.4 Ų50.43%0.02727%0.266CS..Hα-helixtrans-65.2-42.4174.4-65.70000111.4G532 F533 F536 Q548 F549 E550 A555 A556G532-C552 PolarHBondContact O-SG 3.13Å; F533-C552 HydrophobicContact CD1-CB 3.79Å; F533-C552 WeakPolarHBondContact CD1-SG 2.99Å; F533-C552 HydrophobicContact CE1-CB 3.45Å; F533-C552 VanDerWaalsContact CE1-CB 3.45Å; F533-C552 HydrophobicContact CE2-CB 4.31Å; F533-C552 HydrophobicContact CG-CB 4.36Å; F533-C552 HydrophobicContact CZ-CB 3.74Å; F536-C552 WeakPolarHBondContact CD2-SG 3.16Å; F536-C552 VanDerWaalsContact CE2-SG 3.53Å; Q548-C552 PolarHBondContact O-N 3.23Å; Q548-C552 PolarHBondContact O-SG 3.37Å; F549-C552 WeakPolarHBondContact O-CB 3.43Å; F549-C552 PolarHBondContact O-N 2.82Å; F549-C552 VanDerWaalsContact O-N 3.14Å; E550-C552 VanDerWaalsContact C-N 3.28Å; E550-C552 PolarHBondContact O-N 3.14Å; C552-A555 PolarHBondContact O-N 3.27Å; C552-A556 WeakPolarHBondContact O-CB 3.48Å; C552-A556 PolarHBondContact O-N 3.27Å
553L85.8Confident78.8Confident2 Ų255.6 Ų55.61%0.0129%0.293CS..Hα-helixtrans-65-41.7176.6-65.4-179.2000111.7F549 E550 A556 G557 L558 F592F549-L553 HydrophobicContact CD1-CD1 4Å; F549-L553 HydrophobicContact CD1-CG 4.38Å; F549-L553 HydrophobicContact CE1-CD1 3.56Å; F549-L553 HydrophobicContact CE1-CG 4.12Å; F549-L553 HydrophobicContact CZ-CD1 4.29Å; F549-L553 PolarHBondContact O-N 3.15Å; E550-L553 WeakPolarHBondContact O-CB 3.34Å; E550-L553 PolarHBondContact O-N 2.97Å; E550-L553 VanDerWaalsContact O-N 3.09Å; L553-A556 PolarHBondContact O-N 2.75Å; L553-G557 PolarHBondContact O-N 2.65Å; L553-L558 HydrophobicContact CD2-CB 4.36Å; L553-L558 HydrophobicContact CD2-CD1 3.69Å; L553-L558 PolarHBondContact O-N 3.15Å; L553-F592 HydrophobicContact CD2-CE1 3.85Å; L553-F592 HydrophobicContact CD2-CZ 3.65Å
554T83.9Confident77Confident76 Ų7656 Ų5647%0.46630%0.297SS..Hα-helixtrans-63-45.4174.3-46.20000111.4E550 A556 G557 T559E550-T554 PolarHBondContact O-N 3.33Å; E550-T554 PolarHBondContact O-OG1 3.35Å; T554-A556 VanDerWaalsContact C-N 3.31Å; T554-A556 PolarHBondContact O-N 2.87Å; T554-G557 PolarHBondContact O-N 3.17Å; T554-G557 VanDerWaalsContact O-N 3.1Å; T554-T559 HydrophobicContact CG2-CG2 4.24Å; T554-T559 WeakPolarHBondContact OG1-CG2 3.36Å
555A83.5Confident75.6Confident83 Ų8360.9 Ų60.969%0.68632%0.324SS*.Hα-helixtrans-65.5-33.9178.200000112.5R551 C552 G557R551-A555 WeakPolarHBondContact O-CB 3.27Å; R551-A555 PolarHBondContact O-N 2.82Å; C552-A555 PolarHBondContact O-N 3.27Å; A555-G557 PolarHBondContact O-N 2.88Å
556A80.2Confident74.7Confident26 Ų2659.5 Ų59.522%0.21532%0.315CS..THydrogen-bonded Turntrans-74.4-6.9175.100000113.4I527 L529 C552 L553 T554 L558I527-A556 WeakPolarHBondContact CD1-O 3.33Å; I527-A556 HydrophobicContact CG2-CB 4.03Å; L529-A556 HydrophobicContact CD2-CB 4.07Å; C552-A556 WeakPolarHBondContact O-CB 3.48Å; C552-A556 PolarHBondContact O-N 3.27Å; L553-A556 PolarHBondContact O-N 2.75Å; T554-A556 VanDerWaalsContact C-N 3.31Å; T554-A556 PolarHBondContact O-N 2.87Å; A556-L558 HydrophobicContact CB-CD1 4.16Å; A556-L558 HydrophobicContact CB-CG 3.98Å; A556-L558 PolarHBondContact O-N 3.34Å
557G77.3Confident74Confident41 Ų4156.5 Ų56.542%0.42331%0.306SS..THydrogen-bonded Turntrans71.810.7-175.100000113.9L553 T554 A555 T559 R560L553-G557 PolarHBondContact O-N 2.65Å; T554-G557 PolarHBondContact O-N 3.17Å; T554-G557 VanDerWaalsContact O-N 3.1Å; A555-G557 PolarHBondContact O-N 2.88Å; G557-T559 PolarHBondContact O-N 3.35Å; G557-R560 PolarHBondContact O-N 2.96Å
558L72.7Confident73.5Confident0 Ų058.2 Ų58.20%032%0.315CS..THydrogen-bonded Turntrans-75.4-10.4177.8-66.6178.1000112.8I518 L521 V522 I527 L529 L553 A556 R560 L566I518-L558 HydrophobicContact CG2-CD1 3.87Å; I518-L558 HydrophobicContact CG2-CD2 4.17Å; L521-L558 HydrophobicContact CB-CD2 4.09Å; L521-L558 HydrophobicContact CD1-CD2 4.36Å; V522-L558 HydrophobicContact CG2-CD1 4.43Å; V522-L558 HydrophobicContact CG2-CD2 3.8Å; I527-L558 HydrophobicContact CD1-CD2 3.96Å; L529-L558 HydrophobicContact CD2-CD1 3.61Å; L553-L558 HydrophobicContact CD2-CB 4.36Å; L553-L558 HydrophobicContact CD2-CD1 3.69Å; L553-L558 PolarHBondContact O-N 3.15Å; A556-L558 HydrophobicContact CB-CD1 4.16Å; A556-L558 HydrophobicContact CB-CG 3.98Å; A556-L558 PolarHBondContact O-N 3.34Å; L558-R560 PolarHBondContact O-N 3Å; L558-L566 WeakPolarHBondContact O-CD1 3.35Å
559T64.2Low73.1Confident34 Ų3458.1 Ų58.121%0.20932%0.318CS..THydrogen-bonded Turntrans-64.4-21.5172.543.10000112.6T554 G557 D565 L566T554-T559 HydrophobicContact CG2-CG2 4.24Å; T554-T559 WeakPolarHBondContact OG1-CG2 3.36Å; G557-T559 PolarHBondContact O-N 3.35Å; T559-D565 CarbonylContact O-C 3.52Å; T559-D565 WeakPolarHBondContact O-CA 3.3Å; T559-L566 PolarHBondContact O-N 3.34Å
560R61.8Low72.6Confident177 Ų17758.4 Ų58.467%0.66832%0.319SS*.EExtended strand (participates in β ladder)trans-98.195174.7-78.6177.3166.8172-5.3110.8L521 G557 L558 D562 D565L521-R560 WeakPolarHBondContact CD1-O 3.25Å; G557-R560 PolarHBondContact O-N 2.96Å; L558-R560 PolarHBondContact O-N 3Å; R560-D562 VanDerWaalsContact C-N 3.28Å; R560-D562 PolarHBondContact O-N 3.06Å; R560-D562 VanDerWaalsContact O-N 3.11Å; R560-D565 WeakPolarHBondContact CG-OD1 3.27Å
561L57.9Low72.4Confident2 Ų254.3 Ų54.31%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-8080.6167-72.6163.5000108.8L514 R517 L521 L563 H564 L566L514-L561 HydrophobicContact CD2-CD1 4.27Å; R517-L561 HydrophobicContact CB-CD2 3.41Å; R517-L561 VanDerWaalsContact CB-CD2 3.41Å; R517-L561 HydrophobicContact CG-CD2 4.41Å; L521-L561 HydrophobicContact CD1-CD2 3.75Å; L521-L561 HydrophobicContact CD1-CG 4.39Å; L561-L563 PolarHBondContact O-N 3.29Å; L561-H564 CarbonylContact C-O 3.48Å; L561-H564 WeakPolarHBondContact CA-O 3.17Å; L561-H564 WeakPolarHBondContact CB-O 3.34Å; L561-H564 PolarHBondContact N-O 3.45Å; L561-H564 PolarHBondContact O-N 3.48Å; L561-L566 HydrophobicContact CD1-CD2 3.4Å; L561-L566 VanDerWaalsContact CD1-CD2 3.4Å; L561-L566 HydrophobicContact CD1-CG 3.54Å; L561-L566 HydrophobicContact CG-CD2 4.41Å; L561-L566 HydrophobicContact CG-CG 4.09Å
562D55Low72.3Confident75 Ų7552.1 Ų52.140%0.40130%0.298SS..THydrogen-bonded Turntrans58.3-99.8-173.8-56.2-46.7000112.3R560 P624R560-D562 VanDerWaalsContact C-N 3.28Å; R560-D562 PolarHBondContact O-N 3.06Å; R560-D562 VanDerWaalsContact O-N 3.11Å; D562-P624 HydrophobicContact CB-CG 3.79Å; D562-P624 WeakPolarHBondContact OD2-CD 3.31Å; D562-P624 WeakPolarHBondContact OD2-CG 3.24Å
563L48.5Very low72.2Confident112 Ų11254 Ų5459%0.58631%0.308SS*.THydrogen-bonded Turntrans-97.4-5.3-179.3-76.1152.6000113.3L561 D704L561-L563 PolarHBondContact O-N 3.29Å; L563-D704 HydrophobicContact CD1-CB 4.15Å
564H52.8Low72.1Confident94 Ų9454 Ų5444%0.43531%0.307SS..EExtended strand (participates in β ladder)trans-120.7126.7-178.8-63.4-57.6000111.2L561L561-H564 CarbonylContact C-O 3.48Å; L561-H564 WeakPolarHBondContact CA-O 3.17Å; L561-H564 WeakPolarHBondContact CB-O 3.34Å; L561-H564 PolarHBondContact N-O 3.45Å; L561-H564 PolarHBondContact O-N 3.48Å
565D62.4Low72.2Confident103 Ų10350.4 Ų50.455%0.55129%0.286SS*.EExtended strand (participates in β ladder)trans-67.7138.3169.3-69.1-37.9000109.5T559 R560 T567T559-D565 CarbonylContact O-C 3.52Å; T559-D565 WeakPolarHBondContact O-CA 3.3Å; R560-D565 WeakPolarHBondContact CG-OD1 3.27Å; D565-T567 PolarHBondContact O-N 3.08Å
566L70.3Confident72.3Confident13 Ų1351 Ų517%0.06828%0.277CS..  trans-51.1111.3169.6-93.9169.7000107.6L514 L558 T559 L561 Q570 V571 L574L514-L566 HydrophobicContact CD2-CD2 4.17Å; L558-L566 WeakPolarHBondContact O-CD1 3.35Å; T559-L566 PolarHBondContact O-N 3.34Å; L561-L566 HydrophobicContact CD1-CD2 3.4Å; L561-L566 VanDerWaalsContact CD1-CD2 3.4Å; L561-L566 HydrophobicContact CD1-CG 3.54Å; L561-L566 HydrophobicContact CG-CD2 4.41Å; L561-L566 HydrophobicContact CG-CG 4.09Å; L566-Q570 HydrophobicContact CD2-CB 3.82Å; L566-V571 HydrophobicContact CB-CG2 3.94Å; L566-L574 HydrophobicContact CD1-CD1 4.45Å; L566-L574 HydrophobicContact CD2-CD1 3.97Å
567T73.8Confident72.6Confident24 Ų2456.1 Ų56.115%0.14729%0.291CS..  trans-65.7152.4179.964.50000109.4D507 D565 V569 Q570 V571D507-T567 WeakPolarHBondContact OD1-CB 3.37Å; D507-T567 VanDerWaalsContact OD1-CG2 3.22Å; D507-T567 WeakPolarHBondContact OD1-CG2 3.37Å; D507-T567 PolarHBondContact OD1-OG1 3.38Å; D565-T567 PolarHBondContact O-N 3.08Å; T567-V569 PolarHBondContact O-N 2.91Å; T567-Q570 VanDerWaalsContact N-OE1 3.11Å; T567-Q570 WeakPolarHBondContact O-CB 3.22Å; T567-Q570 PolarHBondContact O-N 3.21Å; T567-Q570 WeakPolarHBondContact OG1-CG 3.32Å; T567-Q570 PolarHBondContact OG1-N 3.27Å; T567-V571 PolarHBondContact O-N 3.24Å
568P76.1Confident73.2Confident94 Ų9454.2 Ų54.261%0.6127%0.271SS*.Hα-helixtrans-56.7-27.4176.221.7-33.3000112.2N572P568-N572 WeakPolarHBondContact O-CB 3.25Å; P568-N572 VanDerWaalsContact O-CG 3.29Å; P568-N572 PolarHBondContact O-N 3.45Å; P568-N572 PolarHBondContact O-ND2 2.86Å
569V79.8Confident73.9Confident42 Ų4256.2 Ų56.226%0.25528%0.283SS..Hα-helixtrans-66.4-48.8173-178.20000111V501 D507 T567 V571 N572 I573V501-V569 HydrophobicContact CG1-CG2 3.98Å; D507-V569 HydrophobicContact CB-CB 4.33Å; D507-V569 HydrophobicContact CB-CG1 4.14Å; T567-V569 PolarHBondContact O-N 2.91Å; V569-V571 VanDerWaalsContact C-N 3.34Å; V569-V571 PolarHBondContact O-N 2.77Å; V569-N572 PolarHBondContact O-N 2.91Å; V569-I573 HydrophobicContact CG1-CD1 4.04Å; V569-I573 WeakPolarHBondContact O-CG1 3.42Å; V569-I573 PolarHBondContact O-N 3.32Å
570Q80.2Confident74.7Confident6 Ų655.2 Ų55.23%0.02828%0.277CS..Hα-helixtrans-62.7-38.5176.7-70.2169.2-8.800112.6G506 L514 L566 T567 I573 L574G506-Q570 VanDerWaalsContact C-NE2 3.33Å; G506-Q570 PolarHBondContact O-NE2 3.24Å; L514-Q570 HydrophobicContact CD1-CB 3.98Å; L514-Q570 HydrophobicContact CD1-CG 4.18Å; L514-Q570 HydrophobicContact CD2-CB 4.07Å; L514-Q570 HydrophobicContact CD2-CG 3.92Å; L566-Q570 HydrophobicContact CD2-CB 3.82Å; T567-Q570 VanDerWaalsContact N-OE1 3.11Å; T567-Q570 WeakPolarHBondContact O-CB 3.22Å; T567-Q570 PolarHBondContact O-N 3.21Å; T567-Q570 WeakPolarHBondContact OG1-CG 3.32Å; T567-Q570 PolarHBondContact OG1-N 3.27Å; Q570-I573 PolarHBondContact O-N 2.93Å; Q570-L574 WeakPolarHBondContact O-CG 3.34Å; Q570-L574 PolarHBondContact O-N 3.12Å
571V82Confident75.6Confident7 Ų753.1 Ų53.14%0.04229%0.29CS..Hα-helixtrans-62.9-43.2174.4177.30000110.7E550 L566 T567 V569 L574 V575E550-V571 HydrophobicContact CB-CG1 4.32Å; E550-V571 HydrophobicContact CG-CG1 4.19Å; L566-V571 HydrophobicContact CB-CG2 3.94Å; T567-V571 PolarHBondContact O-N 3.24Å; V569-V571 VanDerWaalsContact C-N 3.34Å; V569-V571 PolarHBondContact O-N 2.77Å; V571-L574 PolarHBondContact O-N 3.47Å; V571-V575 HydrophobicContact CG1-CG2 4.22Å; V571-V575 WeakPolarHBondContact O-CB 3.39Å; V571-V575 VanDerWaalsContact O-CG2 3.25Å; V571-V575 WeakPolarHBondContact O-CG2 3.46Å; V571-V575 PolarHBondContact O-N 3.41Å
572N83.2Confident76.5Confident79 Ų7958.5 Ų58.542%0.42232%0.323SS..Hα-helixtrans-63.7-41.5176.2-75.2-43.1000112.1P568 V569 L574 V575 D576P568-N572 WeakPolarHBondContact O-CB 3.25Å; P568-N572 VanDerWaalsContact O-CG 3.29Å; P568-N572 PolarHBondContact O-N 3.45Å; P568-N572 PolarHBondContact O-ND2 2.86Å; V569-N572 PolarHBondContact O-N 2.91Å; N572-L574 VanDerWaalsContact C-N 3.3Å; N572-L574 PolarHBondContact O-N 3.44Å; N572-V575 PolarHBondContact O-N 3.14Å; N572-D576 WeakPolarHBondContact O-CB 3.3Å; N572-D576 PolarHBondContact O-N 3.26Å
573I84.9Confident77.7Confident45 Ų4559 Ų5923%0.23133%0.326CS..Hα-helixtrans-58.4-42.2174.5-70.9167.2000111.3D507 V511 L514 V569 Q570D507-I573 WeakPolarHBondContact O-CD1 3.27Å; V511-I573 HydrophobicContact CB-CG2 4.37Å; V511-I573 HydrophobicContact CG2-CG2 3.37Å; L514-I573 HydrophobicContact CD1-CB 4.46Å; L514-I573 HydrophobicContact CD1-CG2 4.05Å; V569-I573 HydrophobicContact CG1-CD1 4.04Å; V569-I573 WeakPolarHBondContact O-CG1 3.42Å; V569-I573 PolarHBondContact O-N 3.32Å; Q570-I573 PolarHBondContact O-N 2.93Å
574L84.5Confident79.3Confident0 Ų057.7 Ų57.70%032%0.324CS..Hα-helixtrans-66.9-46.7174.6-75.2165.4000111.8V511 L514 L515 I518 L566 Q570 V571 N572 D576 R577 Y578V511-L574 HydrophobicContact CG1-CD2 4.4Å; L514-L574 HydrophobicContact CB-CD1 4.38Å; L514-L574 HydrophobicContact CB-CD2 3.94Å; L514-L574 HydrophobicContact CB-CG 4.25Å; L514-L574 HydrophobicContact CD1-CG 4.14Å; L515-L574 HydrophobicContact CD2-CD2 3.98Å; L515-L574 HydrophobicContact CG-CD2 4.17Å; I518-L574 HydrophobicContact CD1-CD1 3.56Å; I518-L574 HydrophobicContact CD1-CD2 4.06Å; I518-L574 HydrophobicContact CD1-CG 4.49Å; L566-L574 HydrophobicContact CD1-CD1 4.45Å; L566-L574 HydrophobicContact CD2-CD1 3.97Å; Q570-L574 WeakPolarHBondContact O-CG 3.34Å; Q570-L574 PolarHBondContact O-N 3.12Å; V571-L574 PolarHBondContact O-N 3.47Å; N572-L574 VanDerWaalsContact C-N 3.3Å; N572-L574 PolarHBondContact O-N 3.44Å; L574-D576 PolarHBondContact O-N 3.36Å; L574-R577 WeakPolarHBondContact O-CB 3.25Å; L574-R577 PolarHBondContact O-N 2.95Å; L574-Y578 VanDerWaalsContact O-CD2 3.25Å; L574-Y578 WeakPolarHBondContact O-CD2 3.48Å
575V85.9Confident80.8Confident2 Ų258.7 Ų58.71%0.01233%0.332CS..Hα-helixtrans-58.3-48.1179.3163.60000110.6R546 F549 V571 N572 R577 Y578 V579 V587R546-V575 HydrophobicContact CB-CG1 4.32Å; R546-V575 HydrophobicContact CG-CG1 3.78Å; F549-V575 HydrophobicContact CD1-CG2 3.48Å; F549-V575 VanDerWaalsContact CD1-CG2 3.48Å; F549-V575 HydrophobicContact CE1-CG2 3.88Å; F549-V575 HydrophobicContact CG-CG2 4.35Å; V571-V575 HydrophobicContact CG1-CG2 4.22Å; V571-V575 WeakPolarHBondContact O-CB 3.39Å; V571-V575 VanDerWaalsContact O-CG2 3.25Å; V571-V575 WeakPolarHBondContact O-CG2 3.46Å; V571-V575 PolarHBondContact O-N 3.41Å; N572-V575 PolarHBondContact O-N 3.14Å; V575-R577 PolarHBondContact O-N 3.44Å; V575-R577 VanDerWaalsContact O-N 3.15Å; V575-Y578 CarbonylContact O-C 3.56Å; V575-Y578 PolarHBondContact O-N 2.9Å; V575-V579 HydrophobicContact CG1-CG2 4.18Å; V575-V579 WeakPolarHBondContact O-CG2 3.28Å; V575-V579 PolarHBondContact O-N 3.46Å; V575-V579 VanDerWaalsContact O-N 3.11Å; V575-V587 HydrophobicContact CG1-CG2 3.77Å
576D85.7Confident81.9Confident95 Ų9556.8 Ų56.851%0.50832%0.321SS..Hα-helixtrans-59.7-27.5-177.1-73.6-20.6000112.8R546 N572 L574 Y578R546-D576 IonicContact NH1-OD1 3.7Å; R546-D576 IonicContact NH2-OD1 2.89Å; N572-D576 WeakPolarHBondContact O-CB 3.3Å; N572-D576 PolarHBondContact O-N 3.26Å; L574-D576 PolarHBondContact O-N 3.36Å; D576-Y578 VanDerWaalsContact C-N 3.33Å; D576-Y578 PolarHBondContact O-N 2.78Å
577R86Confident82.8Confident133 Ų13356.2 Ų56.250%0.50232%0.318SS..Hα-helixtrans-69.5-28.3174.4-177.758.4173.4165.4-4.3113.6V511 L574 V575V511-R577 HydrophobicContact CG1-CB 4.12Å; V511-R577 HydrophobicContact CG1-CG 4.1Å; L574-R577 WeakPolarHBondContact O-CB 3.25Å; L574-R577 PolarHBondContact O-N 2.95Å; V575-R577 PolarHBondContact O-N 3.44Å; V575-R577 VanDerWaalsContact O-N 3.15Å
578Y89Confident83.7Confident2 Ų257.1 Ų57.11%0.00832%0.322CS..Hα-helixtrans-112.67.4-174.2-61.6-77.7000113.3L515 L574 V575 D576 V587 N588 K591 F592 D595L515-Y578 HydrophobicContact CD2-CE2 4.29Å; L515-Y578 WeakPolarHBondContact CD2-OH 3.39Å; L574-Y578 VanDerWaalsContact O-CD2 3.25Å; L574-Y578 WeakPolarHBondContact O-CD2 3.48Å; V575-Y578 CarbonylContact O-C 3.56Å; V575-Y578 PolarHBondContact O-N 2.9Å; D576-Y578 VanDerWaalsContact C-N 3.33Å; D576-Y578 PolarHBondContact O-N 2.78Å; Y578-V587 CarbonylContact O-C 3.54Å; Y578-V587 WeakPolarHBondContact O-CA 3.38Å; Y578-N588 WeakPolarHBondContact O-CB 3.37Å; Y578-N588 PolarHBondContact O-N 3.47Å; Y578-K591 HydrophobicContact CD1-CB 3.97Å; Y578-K591 HydrophobicContact CD1-CD 3.99Å; Y578-K591 HydrophobicContact CD1-CG 3.95Å; Y578-K591 HydrophobicContact CE1-CB 4.28Å; Y578-K591 HydrophobicContact CE1-CD 4.26Å; Y578-K591 HydrophobicContact CE1-CG 3.94Å; Y578-F592 HydrophobicContact CD1-CB 3.84Å; Y578-F592 HydrophobicContact CD2-CB 4.02Å; Y578-F592 HydrophobicContact CD2-CD2 4.03Å; Y578-F592 HydrophobicContact CD2-CG 4.44Å; Y578-F592 HydrophobicContact CE1-CB 3.83Å; Y578-F592 HydrophobicContact CE2-CB 4.04Å; Y578-F592 AromaticContact CE2-CD2 3.51Å; Y578-F592 HydrophobicContact CE2-CD2 3.51Å; Y578-F592 HydrophobicContact CE2-CE2 4.46Å; Y578-F592 HydrophobicContact CE2-CG 4.24Å; Y578-F592 HydrophobicContact CG-CB 3.94Å; Y578-F592 AromaticContact CZ-CD2 3.8Å; Y578-D595 WeakPolarHBondContact CE1-OD2 3.2Å; Y578-D595 WeakPolarHBondContact OH-CB 3.44Å; Y578-D595 PolarHBondContact OH-OD2 3.2Å; Y578-D595 VanDerWaalsContact OH-OD2 3.14Å
579V88Confident84.4Confident41 Ų4153 Ų5325%0.24829%0.294CS..BIsolated β-bridgetrans-58.8138.4175.5173.40000111.4V575 M586V575-V579 HydrophobicContact CG1-CG2 4.18Å; V575-V579 WeakPolarHBondContact O-CG2 3.28Å; V575-V579 PolarHBondContact O-N 3.46Å; V575-V579 VanDerWaalsContact O-N 3.11Å; V579-M586 WeakPolarHBondContact CA-O 3.38Å
580S80.8Confident84.8Confident13 Ų1354.3 Ų54.39%0.09130%0.299CS..  trans-65140.4176-175.20000111.5Y543 T582 M586Y543-S580 VanDerWaalsContact CE1-CB 3.46Å; Y543-S580 WeakPolarHBondContact CE1-OG 3.42Å; S580-T582 PolarHBondContact O-N 3.48Å; S580-T582 PolarHBondContact OG-N 3.31Å; S580-M586 PolarHBondContact N-O 3.43Å
581S80.6Confident85.2Confident134 Ų13458.2 Ų58.294%0.93732%0.316SS*.SBendtrans-65.3-19.4171.9-52.10000113.2
582T76.9Confident85.6Confident115 Ų11557.9 Ų57.971%0.70631%0.314SS*.SBendtrans-93.4-39.2-176.1-43.30000112.5S580S580-T582 PolarHBondContact O-N 3.48Å; S580-T582 PolarHBondContact OG-N 3.31Å
583D80.9Confident85.9Confident85 Ų8554.1 Ų54.146%0.45529%0.294SS..  trans-135.4117.2-175.8-77.1-39.6000111.1N585 M586D583-N585 PolarHBondContact O-N 3.45Å; D583-N585 VanDerWaalsContact O-N 3.1Å; D583-M586 HydrophobicContact CB-CB 3.95Å; D583-M586 HydrophobicContact CB-CG 3.68Å; D583-M586 PolarHBondContact O-N 3.39Å
584P82.5Confident86.1Confident84 Ų8454.7 Ų54.755%0.54530%0.297SS..THydrogen-bonded Turntrans-66.8-15.7-17826.7-34.7000113.8R546R546-P584 PolarHBondContact NE-O 2.91Å; R546-P584 PolarHBondContact NH2-O 3.22Å
585N83.3Confident86.2Confident115 Ų11557 Ų5762%0.61531%0.31SS*.THydrogen-bonded Turntrans-88.8-7.9178.4-69.8-21.2000113.4T545 R546 D583T545-N585 WeakPolarHBondContact CA-O 3.47Å; R546-N585 PolarHBondContact N-O 3.47Å; D583-N585 PolarHBondContact O-N 3.45Å; D583-N585 VanDerWaalsContact O-N 3.1Å
586M86.7Confident86.2Confident64 Ų6456.9 Ų56.932%0.31531%0.309SS..EExtended strand (participates in β ladder)trans-109138-176.8-65.9-62.7-165.600110.9Y543 V544 T545 V579 S580 D583Y543-M586 HydrophobicContact CD1-CB 4.29Å; V544-M586 CarbonylContact O-C 3.56Å; V544-M586 WeakPolarHBondContact O-CA 3.48Å; T545-M586 HydrophobicContact CG2-SD 4.19Å; V579-M586 WeakPolarHBondContact CA-O 3.38Å; S580-M586 PolarHBondContact N-O 3.43Å; D583-M586 HydrophobicContact CB-CB 3.95Å; D583-M586 HydrophobicContact CB-CG 3.68Å; D583-M586 PolarHBondContact O-N 3.39Å
587V89.3Confident86.2Confident0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-115.9126.9-179-1720000108.7Y543 V544 R546 F549 V575 Y578 W589Y543-V587 WeakPolarHBondContact CA-O 3.2Å; V544-V587 HydrophobicContact CG2-CB 4.34Å; V544-V587 PolarHBondContact N-O 3.16Å; V544-V587 PolarHBondContact O-N 2.9Å; R546-V587 HydrophobicContact CG-CG2 4.05Å; F549-V587 HydrophobicContact CB-CB 4.37Å; F549-V587 HydrophobicContact CB-CG2 4.33Å; F549-V587 HydrophobicContact CD2-CB 4.26Å; F549-V587 HydrophobicContact CD2-CG1 3.66Å; F549-V587 HydrophobicContact CE2-CG1 3.98Å; F549-V587 HydrophobicContact CG-CB 4.41Å; F549-V587 HydrophobicContact CG-CG1 4.03Å; V575-V587 HydrophobicContact CG1-CG2 3.77Å; Y578-V587 CarbonylContact O-C 3.54Å; Y578-V587 WeakPolarHBondContact O-CA 3.38Å; V587-W589 PolarHBondContact O-N 3.07Å
588N91.6Very high86.1Confident43 Ų4349.4 Ų49.423%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-74.891174.9-175.1-23.7000109.9G542 Y543 Y578 I590 K591 F592G542-N588 WeakPolarHBondContact O-CA 3.35Å; Y543-N588 HydrophobicContact CD1-CB 4.27Å; Y543-N588 HydrophobicContact CE1-CB 4.03Å; Y578-N588 WeakPolarHBondContact O-CB 3.37Å; Y578-N588 PolarHBondContact O-N 3.47Å; N588-I590 VanDerWaalsContact C-N 3.35Å; N588-I590 PolarHBondContact OD1-N 2.74Å; N588-K591 HydrophobicContact CB-CB 4.38Å; N588-K591 PolarHBondContact OD1-N 2.85Å; N588-F592 PolarHBondContact O-N 3.31Å
589W90.7Very high85.8Confident8 Ų849.4 Ų49.43%0.0328%0.279CS..Hα-helixtrans-73.1-26.8-177.968.8-92.4000112.8F533 H534 D537 G542 V544 V587 K591 F592 V593F533-W589 HydrophobicContact CB-CB 4.34Å; F533-W589 HydrophobicContact CB-CD2 3.42Å; F533-W589 VanDerWaalsContact CB-CD2 3.42Å; F533-W589 HydrophobicContact CB-CE3 3.26Å; F533-W589 HydrophobicContact CB-CG 3.92Å; F533-W589 HydrophobicContact CB-CH2 4.19Å; F533-W589 HydrophobicContact CB-CZ2 4.34Å; F533-W589 HydrophobicContact CB-CZ3 3.67Å; F533-W589 HydrophobicContact CD1-CB 3.41Å; F533-W589 VanDerWaalsContact CD1-CB 3.41Å; F533-W589 HydrophobicContact CD1-CD2 4.23Å; F533-W589 HydrophobicContact CD1-CE3 4.38Å; F533-W589 AromaticContact CD1-CG 3.85Å; F533-W589 HydrophobicContact CD1-CG 3.85Å; F533-W589 HydrophobicContact CD2-CB 4.5Å; F533-W589 AromaticContact CD2-CE3 3.95Å; F533-W589 HydrophobicContact CD2-CE3 3.95Å; F533-W589 HydrophobicContact CE1-CB 3.75Å; F533-W589 HydrophobicContact CG-CB 3.84Å; F533-W589 AromaticContact CG-CD2 3.85Å; F533-W589 HydrophobicContact CG-CD2 3.85Å; F533-W589 AromaticContact CG-CE3 3.62Å; F533-W589 HydrophobicContact CG-CE3 3.62Å; F533-W589 AromaticContact CG-CG 3.98Å; F533-W589 HydrophobicContact CG-CG 3.98Å; F533-W589 HydrophobicContact CG-CZ3 4.39Å; F533-W589 HydrophobicContact CZ-CB 4.43Å; H534-W589 AromaticContact CE1-CH2 3.68Å; H534-W589 AromaticContact ND1-CH2 3.9Å; H534-W589 AromaticContact NE2-CH2 3.98Å; D537-W589 HydrophobicContact CB-CZ2 4.42Å; D537-W589 PolarHBondContact OD2-NE1 3.22Å; G542-W589 VanDerWaalsContact C-NE1 3.28Å; G542-W589 PolarHBondContact O-N 3.1Å; V544-W589 HydrophobicContact CG1-CG 4.33Å; V544-W589 HydrophobicContact CG2-CB 3.95Å; V544-W589 HydrophobicContact CG2-CG 4.34Å; V587-W589 PolarHBondContact O-N 3.07Å; W589-K591 VanDerWaalsContact C-N 3.31Å; W589-K591 PolarHBondContact O-N 2.85Å; W589-F592 PolarHBondContact O-N 3.45Å; W589-V593 HydrophobicContact CE3-CB 4.41Å; W589-V593 HydrophobicContact CE3-CG2 3.75Å; W589-V593 HydrophobicContact CZ3-CG2 4.13Å; W589-V593 WeakPolarHBondContact O-CB 3.45Å; W589-V593 WeakPolarHBondContact O-CG2 3.48Å; W589-V593 PolarHBondContact O-N 2.91Å
590I88.7Confident85.5Confident69 Ų6950.5 Ų50.535%0.35428%0.281SS..Hα-helixtrans-62.7-42.9177.7-65.8177.6000109.9N588 V593 N594N588-I590 VanDerWaalsContact C-N 3.35Å; N588-I590 PolarHBondContact OD1-N 2.74Å; I590-V593 PolarHBondContact O-N 2.98Å; I590-N594 WeakPolarHBondContact O-CB 3.37Å; I590-N594 PolarHBondContact O-N 2.88Å; I590-N594 PolarHBondContact O-ND2 3.49Å
591K89Confident85.6Confident88 Ų8853.3 Ų53.338%0.38330%0.298SS..Hα-helixtrans-63.1-44.3176.1-171-175174.3-171.80111.3Y578 N588 W589 N594 D595Y578-K591 HydrophobicContact CD1-CB 3.97Å; Y578-K591 HydrophobicContact CD1-CD 3.99Å; Y578-K591 HydrophobicContact CD1-CG 3.95Å; Y578-K591 HydrophobicContact CE1-CB 4.28Å; Y578-K591 HydrophobicContact CE1-CD 4.26Å; Y578-K591 HydrophobicContact CE1-CG 3.94Å; N588-K591 HydrophobicContact CB-CB 4.38Å; N588-K591 PolarHBondContact OD1-N 2.85Å; W589-K591 VanDerWaalsContact C-N 3.31Å; W589-K591 PolarHBondContact O-N 2.85Å; K591-N594 PolarHBondContact O-N 2.89Å; K591-D595 WeakPolarHBondContact O-CB 3.15Å; K591-D595 VanDerWaalsContact O-CG 3.26Å; K591-D595 PolarHBondContact O-N 3.44Å
592F90.5Very high85.6Confident0 Ų049.7 Ų49.70%027%0.267CS..Hα-helixtrans-59.4-48.3175.1170-105.7000112.5L515 I518 L529 F533 F549 L553 Y578 N588 W589 N594 D595 V596L515-F592 HydrophobicContact CD2-CD2 4.32Å; L515-F592 HydrophobicContact CD2-CE2 4.1Å; I518-F592 HydrophobicContact CG2-CZ 4.3Å; L529-F592 HydrophobicContact CD1-CE1 4.11Å; F533-F592 AromaticContact CE2-CD1 3.83Å; F533-F592 HydrophobicContact CE2-CD1 3.83Å; F533-F592 AromaticContact CE2-CE1 3.88Å; F533-F592 HydrophobicContact CE2-CE1 3.88Å; F533-F592 AromaticContact CZ-CD1 3.69Å; F533-F592 HydrophobicContact CZ-CD1 3.69Å; F533-F592 AromaticContact CZ-CE1 3.77Å; F533-F592 HydrophobicContact CZ-CE1 3.77Å; F549-F592 HydrophobicContact CE2-CB 4.05Å; F549-F592 AromaticContact CE2-CD1 3.69Å; F549-F592 HydrophobicContact CE2-CD1 3.69Å; F549-F592 HydrophobicContact CE2-CD2 4.35Å; F549-F592 HydrophobicContact CE2-CE1 4.22Å; F549-F592 AromaticContact CE2-CG 3.76Å; F549-F592 HydrophobicContact CE2-CG 3.76Å; F549-F592 HydrophobicContact CZ-CB 4.4Å; F549-F592 AromaticContact CZ-CD1 3.92Å; F549-F592 HydrophobicContact CZ-CD1 3.92Å; F549-F592 AromaticContact CZ-CD2 3.92Å; F549-F592 HydrophobicContact CZ-CD2 3.92Å; F549-F592 HydrophobicContact CZ-CE1 4.13Å; F549-F592 HydrophobicContact CZ-CE2 4.13Å; F549-F592 AromaticContact CZ-CG 3.8Å; F549-F592 HydrophobicContact CZ-CG 3.8Å; F549-F592 HydrophobicContact CZ-CZ 4.22Å; L553-F592 HydrophobicContact CD2-CE1 3.85Å; L553-F592 HydrophobicContact CD2-CZ 3.65Å; Y578-F592 HydrophobicContact CD1-CB 3.84Å; Y578-F592 HydrophobicContact CD2-CB 4.02Å; Y578-F592 HydrophobicContact CD2-CD2 4.03Å; Y578-F592 HydrophobicContact CD2-CG 4.44Å; Y578-F592 HydrophobicContact CE1-CB 3.83Å; Y578-F592 HydrophobicContact CE2-CB 4.04Å; Y578-F592 AromaticContact CE2-CD2 3.51Å; Y578-F592 HydrophobicContact CE2-CD2 3.51Å; Y578-F592 HydrophobicContact CE2-CE2 4.46Å; Y578-F592 HydrophobicContact CE2-CG 4.24Å; Y578-F592 HydrophobicContact CG-CB 3.94Å; Y578-F592 AromaticContact CZ-CD2 3.8Å; N588-F592 PolarHBondContact O-N 3.31Å; W589-F592 PolarHBondContact O-N 3.45Å; F592-N594 PolarHBondContact O-N 2.95Å; F592-D595 PolarHBondContact O-N 3.32Å; F592-V596 HydrophobicContact CD2-CG2 4.15Å; F592-V596 HydrophobicContact CE1-CG2 4.48Å; F592-V596 HydrophobicContact CE2-CG2 3.76Å; F592-V596 HydrophobicContact CZ-CG2 3.94Å; F592-V596 WeakPolarHBondContact O-CG2 3.17Å; F592-V596 PolarHBondContact O-N 2.96Å; F592-V596 VanDerWaalsContact O-N 3.08Å
593V89.2Confident85.6Confident1 Ų147.8 Ų47.81%0.00626%0.257CS..Hα-helixtrans-62.8-43.2179.1167.50000111.1L529 K530 F533 W589 I590 D595 V596 E597L529-V593 HydrophobicContact CB-CG2 3.93Å; K530-V593 HydrophobicContact CD-CG1 4.32Å; K530-V593 HydrophobicContact CG-CG1 3.58Å; F533-V593 HydrophobicContact CD2-CG2 3.58Å; F533-V593 HydrophobicContact CE2-CG2 3.75Å; W589-V593 HydrophobicContact CE3-CB 4.41Å; W589-V593 HydrophobicContact CE3-CG2 3.75Å; W589-V593 HydrophobicContact CZ3-CG2 4.13Å; W589-V593 WeakPolarHBondContact O-CB 3.45Å; W589-V593 WeakPolarHBondContact O-CG2 3.48Å; W589-V593 PolarHBondContact O-N 2.91Å; I590-V593 PolarHBondContact O-N 2.98Å; V593-D595 VanDerWaalsContact C-N 3.33Å; V593-D595 PolarHBondContact O-N 3.21Å; V593-V596 PolarHBondContact O-N 3Å; V593-E597 HydrophobicContact CG1-CG 3.99Å; V593-E597 VanDerWaalsContact O-CB 3.29Å; V593-E597 WeakPolarHBondContact O-CB 3.5Å; V593-E597 WeakPolarHBondContact O-CG 3.25Å; V593-E597 PolarHBondContact O-N 3.22Å
594N87.4Confident85.5Confident56 Ų5648.6 Ų48.630%0.29926%0.258SS..Hα-helixtrans-62.1-41176.7-72.6-15000111.7I590 K591 F592 V596 T598I590-N594 WeakPolarHBondContact O-CB 3.37Å; I590-N594 PolarHBondContact O-N 2.88Å; I590-N594 PolarHBondContact O-ND2 3.49Å; K591-N594 PolarHBondContact O-N 2.89Å; F592-N594 PolarHBondContact O-N 2.95Å; N594-V596 VanDerWaalsContact C-N 3.28Å; N594-V596 PolarHBondContact O-N 3.42Å; N594-T598 WeakPolarHBondContact O-CG2 3.27Å; N594-T598 PolarHBondContact O-N 3.4Å
595D87.2Confident85.6Confident49 Ų4947.4 Ų47.426%0.26225%0.246SC..Hα-helixtrans-69.3-22.9179.3-72.6-10000113.2R519 Y578 K591 F592 V593 T598R519-D595 PolarHBondContact NE-O 3.33Å; R519-D595 PolarHBondContact NH2-O 2.88Å; Y578-D595 WeakPolarHBondContact CE1-OD2 3.2Å; Y578-D595 WeakPolarHBondContact OH-CB 3.44Å; Y578-D595 PolarHBondContact OH-OD2 3.2Å; Y578-D595 VanDerWaalsContact OH-OD2 3.14Å; K591-D595 WeakPolarHBondContact O-CB 3.15Å; K591-D595 VanDerWaalsContact O-CG 3.26Å; K591-D595 PolarHBondContact O-N 3.44Å; F592-D595 PolarHBondContact O-N 3.32Å; V593-D595 VanDerWaalsContact C-N 3.33Å; V593-D595 PolarHBondContact O-N 3.21Å; D595-T598 PolarHBondContact O-OG1 3.36Å; D595-T598 VanDerWaalsContact O-OG1 3.14Å
596V87.1Confident85.7Confident0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-94.9-38.3176.7179.30000112L515 I518 R519 V522 L529 F592 V593 N594 T598 V599L515-V596 HydrophobicContact CD2-CG2 4.4Å; I518-V596 HydrophobicContact CG2-CG1 4.05Å; I518-V596 HydrophobicContact CG2-CG2 4.02Å; R519-V596 HydrophobicContact CG-CG1 4.33Å; V522-V596 HydrophobicContact CB-CG1 4.08Å; V522-V596 HydrophobicContact CG1-CG1 4.17Å; V522-V596 HydrophobicContact CG2-CG1 3.77Å; L529-V596 HydrophobicContact CD1-CB 3.79Å; L529-V596 HydrophobicContact CD1-CG1 3.55Å; L529-V596 HydrophobicContact CD1-CG2 4.34Å; F592-V596 HydrophobicContact CD2-CG2 4.15Å; F592-V596 HydrophobicContact CE1-CG2 4.48Å; F592-V596 HydrophobicContact CE2-CG2 3.76Å; F592-V596 HydrophobicContact CZ-CG2 3.94Å; F592-V596 WeakPolarHBondContact O-CG2 3.17Å; F592-V596 PolarHBondContact O-N 2.96Å; F592-V596 VanDerWaalsContact O-N 3.08Å; V593-V596 PolarHBondContact O-N 3Å; N594-V596 VanDerWaalsContact C-N 3.28Å; N594-V596 PolarHBondContact O-N 3.42Å; V596-T598 PolarHBondContact O-N 2.87Å; V596-V599 WeakPolarHBondContact O-CB 3.49Å; V596-V599 WeakPolarHBondContact O-CG2 3.49Å; V596-V599 PolarHBondContact O-N 3.1Å
597E83.8Confident85.6Confident39 Ų3952.6 Ų52.618%0.18226%0.264CS..Hα-helixtrans-69.2-12.8177.7-77.1-171.817700113.4K530 V593 V599 F600 T601K530-E597 WeakPolarHBondContact CD-OE1 3.33Å; K530-E597 WeakPolarHBondContact CE-OE1 3.34Å; K530-E597 WeakPolarHBondContact CE-OE2 3.48Å; K530-E597 WeakPolarHBondContact CG-OE1 3.44Å; K530-E597 IonicContact NZ-OE1 2.69Å; K530-E597 IonicContact NZ-OE2 3.74Å; K530-E597 PolarHBondContact NZ-OE2 3.1Å; V593-E597 HydrophobicContact CG1-CG 3.99Å; V593-E597 VanDerWaalsContact O-CB 3.29Å; V593-E597 WeakPolarHBondContact O-CB 3.5Å; V593-E597 WeakPolarHBondContact O-CG 3.25Å; V593-E597 PolarHBondContact O-N 3.22Å; E597-V599 PolarHBondContact O-N 3.46Å; E597-F600 PolarHBondContact O-N 3.44Å; E597-T601 PolarHBondContact O-N 3.47Å; E597-T601 VanDerWaalsContact O-O 3.1Å
598T84.5Confident85.4Confident32 Ų3258.2 Ų58.220%0.19629%0.291CS..THydrogen-bonded Turntrans-51.9-22170.659.20000113.4N594 D595 V596 F600 T601 L602N594-T598 WeakPolarHBondContact O-CG2 3.27Å; N594-T598 PolarHBondContact O-N 3.4Å; D595-T598 PolarHBondContact O-OG1 3.36Å; D595-T598 VanDerWaalsContact O-OG1 3.14Å; V596-T598 PolarHBondContact O-N 2.87Å; T598-F600 VanDerWaalsContact C-N 3.33Å; T598-T601 WeakPolarHBondContact CA-O 3.46Å; T598-L602 HydrophobicContact CG2-CD2 4.39Å
599V82.3Confident85Confident1 Ų161.4 Ų61.41%0.00631%0.313CS..THydrogen-bonded Turntrans-66.2-31.4176.2174.70000112.9R519 L523 V596 E597 F619R519-V599 HydrophobicContact CB-CG2 3.38Å; R519-V599 HydrophobicContact CG-CG2 3.37Å; L523-V599 HydrophobicContact CB-CG1 3.65Å; L523-V599 HydrophobicContact CD1-CG1 3.71Å; L523-V599 HydrophobicContact CD2-CG1 4.15Å; L523-V599 HydrophobicContact CG-CG1 4.02Å; V596-V599 WeakPolarHBondContact O-CB 3.49Å; V596-V599 WeakPolarHBondContact O-CG2 3.49Å; V596-V599 PolarHBondContact O-N 3.1Å; E597-V599 PolarHBondContact O-N 3.46Å; V599-F619 HydrophobicContact CB-CD2 4.41Å; V599-F619 HydrophobicContact CB-CG 4.31Å; V599-F619 HydrophobicContact CG1-CB 4.05Å; V599-F619 HydrophobicContact CG1-CD2 4.25Å; V599-F619 HydrophobicContact CG1-CG 4.16Å; V599-F619 HydrophobicContact CG2-CB 4.19Å; V599-F619 HydrophobicContact CG2-CD1 3.84Å; V599-F619 HydrophobicContact CG2-CD2 4.46Å; V599-F619 HydrophobicContact CG2-CE1 4.31Å; V599-F619 HydrophobicContact CG2-CG 3.92Å
600F82.2Confident84.8Confident65 Ų6569 Ų6929%0.28535%0.354SS..THydrogen-bonded Turntrans-94.1-47.6178.1-64.6-66.4000111.8V522 L523 E597 T598V522-F600 HydrophobicContact CG1-CE2 3.5Å; V522-F600 VanDerWaalsContact CG1-CE2 3.5Å; V522-F600 HydrophobicContact CG1-CZ 3.94Å; V522-F600 WeakPolarHBondContact O-CZ 3.41Å; L523-F600 HydrophobicContact CD1-CE1 4.21Å; E597-F600 PolarHBondContact O-N 3.44Å; T598-F600 VanDerWaalsContact C-N 3.33Å
601T82.6Confident84.6Confident72 Ų7268.2 Ų68.244%0.44235%0.352SS..  trans-160.2160.6-177-170.70000110.3E597 T598E597-T601 PolarHBondContact O-N 3.47Å; E597-T601 VanDerWaalsContact O-O 3.1Å; T598-T601 WeakPolarHBondContact CA-O 3.46Å
602L81.2Confident84.2Confident58 Ų5875.4 Ų75.430%0.30438%0.377SS..  trans-87.6138.1171.4-61.8169.2000109.5T598 L605 T611 V613T598-L602 HydrophobicContact CG2-CD2 4.39Å; L602-L605 HydrophobicContact CB-CD1 3.9Å; L602-T611 HydrophobicContact CD1-CG2 3.56Å; L602-V613 HydrophobicContact CD1-CG2 4.45Å
603P77.2Confident83.8Confident74 Ų7478.4 Ų78.448%0.48140%0.395SS..THydrogen-bonded Turntrans-65.8150.4174.527.9-33.7000111L605P603-L605 VanDerWaalsContact C-N 3.33Å; P603-L605 PolarHBondContact O-N 2.92Å
604E79.4Confident83.4Confident103 Ų10383.4 Ų83.448%0.48142%0.421SS..THydrogen-bonded Turntrans61.231.9175.5-46.1-167151.600115.5E606 K607 Q608E604-E606 WeakPolarHBondContact CA-OE2 3.38Å; E604-E606 PolarHBondContact O-N 3.18Å; E604-E606 VanDerWaalsContact O-N 3.12Å; E604-K607 HydrophobicContact CB-CB 4.43Å; E604-K607 HydrophobicContact CB-CD 4.15Å; E604-K607 HydrophobicContact CB-CG 4.24Å; E604-K607 WeakPolarHBondContact O-CB 3.37Å; E604-K607 PolarHBondContact O-N 3.38Å; E604-K607 IonicContact OE1-NZ 2.7Å; E604-K607 PolarHBondContact OE1-NZ 2.99Å; E604-K607 WeakPolarHBondContact OE2-CD 3.47Å; E604-K607 WeakPolarHBondContact OE2-CE 3.49Å; E604-K607 IonicContact OE2-NZ 3.58Å; E604-K607 PolarHBondContact OE2-NZ 2.84Å; E604-Q608 PolarHBondContact O-N 2.98Å
605L84.1Confident83.1Confident58 Ų5884.4 Ų84.430%0.30443%0.431SS..G310 helixtrans-57.9-26.8177.1-130.6121.9000112.4L602 P603 K607 Q608 V613L602-L605 HydrophobicContact CB-CD1 3.9Å; P603-L605 VanDerWaalsContact C-N 3.33Å; P603-L605 PolarHBondContact O-N 2.92Å; L605-K607 PolarHBondContact O-N 3.01Å; L605-Q608 CarbonylContact O-C 3.56Å; L605-Q608 PolarHBondContact O-N 2.97Å; L605-Q608 VanDerWaalsContact O-N 3.12Å; L605-V613 HydrophobicContact CD1-CG2 3.57Å
606E84.1Confident82.8Confident153 Ų15386.2 Ų86.272%0.71544%0.438SS*.G310 helixtrans-62.9-25.6172.566.7-81.5-174.100113.7E604E604-E606 WeakPolarHBondContact CA-OE2 3.38Å; E604-E606 PolarHBondContact O-N 3.18Å; E604-E606 VanDerWaalsContact O-N 3.12Å
607K86.1Confident82.3Confident135 Ų13593.7 Ų93.759%0.58747%0.473SS*.G310 helixtrans-88.1-17.9174.4-57.5-173.1-164.4162.90112.5E604 L605E604-K607 HydrophobicContact CB-CB 4.43Å; E604-K607 HydrophobicContact CB-CD 4.15Å; E604-K607 HydrophobicContact CB-CG 4.24Å; E604-K607 WeakPolarHBondContact O-CB 3.37Å; E604-K607 PolarHBondContact O-N 3.38Å; E604-K607 IonicContact OE1-NZ 2.7Å; E604-K607 PolarHBondContact OE1-NZ 2.99Å; E604-K607 WeakPolarHBondContact OE2-CD 3.47Å; E604-K607 WeakPolarHBondContact OE2-CE 3.49Å; E604-K607 IonicContact OE2-NZ 3.58Å; E604-K607 PolarHBondContact OE2-NZ 2.84Å; L605-K607 PolarHBondContact O-N 3.01Å
608Q84.5Confident82.1Confident119 Ų11996 Ų9656%0.55649%0.489SS*.  trans-13570.5-175.6-61-171.7-12.300112.4E604 L605 L610 T611E604-Q608 PolarHBondContact O-N 2.98Å; L605-Q608 CarbonylContact O-C 3.56Å; L605-Q608 PolarHBondContact O-N 2.97Å; L605-Q608 VanDerWaalsContact O-N 3.12Å; Q608-L610 PolarHBondContact O-N 3.39Å; Q608-L610 VanDerWaalsContact O-N 3.1Å; Q608-T611 WeakPolarHBondContact CB-OG1 3.18Å; Q608-T611 PolarHBondContact O-N 3.23Å; Q608-T611 PolarHBondContact O-OG1 3.06Å; Q608-T611 PolarHBondContact OE1-OG1 2.67Å
609P82.4Confident81.7Confident109 Ų10995.9 Ų95.971%0.70849%0.487SS*.THydrogen-bonded Turntrans-66.5-15.8-175.927.1-35.9000114.3
610L87Confident81.5Confident167 Ų167100.3 Ų100.387%0.87451%0.509SS*.THydrogen-bonded Turntrans-84.8-9.1179.7-64.4175.1000113.4Q608 R612Q608-L610 PolarHBondContact O-N 3.39Å; Q608-L610 VanDerWaalsContact O-N 3.1Å; L610-R612 PolarHBondContact O-N 2.79Å
611T84.5Confident81.1Confident53 Ų53100 Ų10033%0.32551%0.508SS..PPolyproline II helixtrans-78121.8-176.9-590000110.5L602 Q608L602-T611 HydrophobicContact CD1-CG2 3.56Å; Q608-T611 WeakPolarHBondContact CB-OG1 3.18Å; Q608-T611 PolarHBondContact O-N 3.23Å; Q608-T611 PolarHBondContact O-OG1 3.06Å; Q608-T611 PolarHBondContact OE1-OG1 2.67Å
612R81.4Confident80.6Confident239 Ų239100.8 Ų100.890%0.90252%0.515SS*.PPolyproline II helixtrans-83.9127.2173.8-67.7-175.3178.8-176.3-0.3110.2L610L610-R612 PolarHBondContact O-N 2.79Å
613V82Confident80Confident64 Ų64102.8 Ų102.839%0.38852%0.521SS..PPolyproline II helixtrans-76.1134.3174.8-177.50000109.2L602 L605L602-V613 HydrophobicContact CD1-CG2 4.45Å; L605-V613 HydrophobicContact CD1-CG2 3.57Å
614L80.6Confident79.4Confident105 Ų105100.2 Ų100.255%0.5550%0.504SS..PPolyproline II helixtrans-64.9142.2175.2-67.9173000110.3F619L614-F619 HydrophobicContact CB-CE2 4.11Å; L614-F619 HydrophobicContact CB-CZ 4.29Å; L614-F619 HydrophobicContact CD1-CZ 4.2Å
615P81.3Confident78.7Confident78 Ų7897.3 Ų97.351%0.50650%0.503SS..PPolyproline II helixtrans-57.2143.5172.5-22.333.1000111.6E617 T618P615-E617 PolarHBondContact O-N 3.22Å; P615-E617 VanDerWaalsContact O-N 3.14Å; P615-T618 WeakPolarHBondContact O-CB 3.47Å; P615-T618 PolarHBondContact O-N 3.44Å; P615-T618 VanDerWaalsContact O-N 3.09Å; P615-T618 PolarHBondContact O-OG1 2.82Å
616Q81.2Confident77.9Confident86 Ų8697.5 Ų97.540%0.40251%0.506SS..G310 helixtrans-58.5-29.5179.3-69.5-179.9-10.900112.5L523 T618 F619L523-Q616 HydrophobicContact CD1-CB 4.05Å; L523-Q616 HydrophobicContact CD1-CG 4.19Å; L523-Q616 HydrophobicContact CD2-CB 4.35Å; L523-Q616 VanDerWaalsContact CD2-O 3.28Å; L523-Q616 WeakPolarHBondContact CD2-O 3.17Å; Q616-T618 PolarHBondContact O-N 3.3Å; Q616-F619 PolarHBondContact O-N 3.49Å; Q616-F619 VanDerWaalsContact O-N 3.08Å
617E76.8Confident77.2Confident157 Ų15792.5 Ų92.573%0.73449%0.491SS*.G310 helixtrans-56.9-30.6177.5-64.3172-174.600113.1P615 F619 I620P615-E617 PolarHBondContact O-N 3.22Å; P615-E617 VanDerWaalsContact O-N 3.14Å; E617-F619 PolarHBondContact O-N 3.35Å; E617-I620 PolarHBondContact O-N 2.73Å
618T78Confident76.6Confident87 Ų8791 Ų9153%0.53449%0.489SS..G310 helixtrans-67.3-20.7179.7-48.20000112.7P615 Q616P615-T618 WeakPolarHBondContact O-CB 3.47Å; P615-T618 PolarHBondContact O-N 3.44Å; P615-T618 VanDerWaalsContact O-N 3.09Å; P615-T618 PolarHBondContact O-OG1 2.82Å; Q616-T618 PolarHBondContact O-N 3.3Å
619F76.5Confident76.2Confident31 Ų3187.8 Ų87.814%0.13647%0.472CS..G310 helixtrans-95.3-2.2-179.9-58.4-78.2000113.4L523 V599 L614 Q616 E617 Q621L523-F619 HydrophobicContact CD2-CB 4.22Å; V599-F619 HydrophobicContact CB-CD2 4.41Å; V599-F619 HydrophobicContact CB-CG 4.31Å; V599-F619 HydrophobicContact CG1-CB 4.05Å; V599-F619 HydrophobicContact CG1-CD2 4.25Å; V599-F619 HydrophobicContact CG1-CG 4.16Å; V599-F619 HydrophobicContact CG2-CB 4.19Å; V599-F619 HydrophobicContact CG2-CD1 3.84Å; V599-F619 HydrophobicContact CG2-CD2 4.46Å; V599-F619 HydrophobicContact CG2-CE1 4.31Å; V599-F619 HydrophobicContact CG2-CG 3.92Å; L614-F619 HydrophobicContact CB-CE2 4.11Å; L614-F619 HydrophobicContact CB-CZ 4.29Å; L614-F619 HydrophobicContact CD1-CZ 4.2Å; Q616-F619 PolarHBondContact O-N 3.49Å; Q616-F619 VanDerWaalsContact O-N 3.08Å; E617-F619 PolarHBondContact O-N 3.35Å; F619-Q621 PolarHBondContact O-N 3.43Å
620I77.8Confident75.9Confident93 Ų9386.8 Ų86.848%0.47747%0.468SS..PPolyproline II helixtrans-75119.9177.5-59.2177.8000108.6L523 E617L523-I620 HydrophobicContact CD2-CG1 3.79Å; E617-I620 PolarHBondContact O-N 2.73Å
621Q74.6Confident75.5Confident58 Ų5883.2 Ų83.227%0.27146%0.457SS..PPolyproline II helixtrans-89.2145.6174-65.1-63.1-71.100109.9N516 H520 F619N516-Q621 HydrophobicContact CB-CG 4.34Å; H520-Q621 HydrophobicContact CB-CB 3.97Å; H520-Q621 HydrophobicContact CB-CG 3.81Å; H520-Q621 PolarHBondContact CE1-O 2.83Å; H520-Q621 PolarHBondContact ND1-N 3.46Å; H520-Q621 VanDerWaalsContact ND1-N 3.16Å; F619-Q621 PolarHBondContact O-N 3.43Å
622P72.3Confident75.3Confident90 Ų9081.5 Ų81.558%0.58445%0.448SS*.PPolyproline II helixtrans-64.2151.2171.428.8-34000110T626P622-T626 HydrophobicContact CB-CG2 4.28Å
623K67.6Low75.6Confident99 Ų9973.7 Ų73.743%0.4343%0.427SS..PPolyproline II helixtrans-59.1148.5177-73.4-175.9168.3-163.20111.1T626 N703 D705K623-T626 VanDerWaalsContact O-CB 3.3Å; K623-T626 WeakPolarHBondContact O-CB 3.37Å; K623-T626 PolarHBondContact O-N 2.84Å; K623-T626 VanDerWaalsContact O-N 3.16Å; K623-T626 PolarHBondContact O-OG1 3.41Å; K623-N703 HydrophobicContact CB-CB 4.49Å; K623-D705 IonicContact NZ-OD2 3.8Å; K623-D705 PolarHBondContact NZ-OD2 3.36Å
624P65Low75.9Confident20 Ų2076.3 Ų76.313%0.1344%0.435CS..THydrogen-bonded Turntrans-48.6141.2169.7-25.434.6000111.9D562 T626 D704D562-P624 HydrophobicContact CB-CG 3.79Å; D562-P624 WeakPolarHBondContact OD2-CD 3.31Å; D562-P624 WeakPolarHBondContact OD2-CG 3.24Å; P624-T626 VanDerWaalsContact C-N 3.26Å; P624-T626 PolarHBondContact O-N 2.75Å; P624-D704 VanDerWaalsContact C-CG 3.41Å; P624-D704 HydrophobicContact CB-CB 4.47Å; P624-D704 WeakPolarHBondContact CB-OD2 3.29Å; P624-D704 WeakPolarHBondContact O-CB 3.44Å; P624-D704 PolarHBondContact O-N 3.15Å
625G64.1Low76.2Confident43 Ų4378.2 Ų78.244%0.44344%0.441SS..THydrogen-bonded Turntrans80.7-9-177.600000116A627 D704G625-A627 PolarHBondContact O-N 3.22Å; G625-D704 VanDerWaalsContact CA-CG 3.48Å; G625-D704 WeakPolarHBondContact CA-OD1 3.44Å; G625-D704 PolarHBondContact N-OD2 2.9Å; G625-D704 VanDerWaalsContact N-OD2 3.15Å
626T68.6Low76.5Confident62 Ų6277.7 Ų77.738%0.3843%0.432SS..  trans-66.3115.5173.7-50.10000109.3P622 K623 P624 D628P622-T626 HydrophobicContact CB-CG2 4.28Å; K623-T626 VanDerWaalsContact O-CB 3.3Å; K623-T626 WeakPolarHBondContact O-CB 3.37Å; K623-T626 PolarHBondContact O-N 2.84Å; K623-T626 VanDerWaalsContact O-N 3.16Å; K623-T626 PolarHBondContact O-OG1 3.41Å; P624-T626 VanDerWaalsContact C-N 3.26Å; P624-T626 PolarHBondContact O-N 2.75Å; T626-D628 PolarHBondContact O-N 2.96Å
627A68.6Low76.8Confident48 Ų4876.6 Ų76.640%0.39743%0.426SS..  trans-66.7134.4177.900000110.8G625 W629 S699G625-A627 PolarHBondContact O-N 3.22Å; A627-W629 PolarHBondContact O-N 3.28Å; A627-S699 WeakPolarHBondContact CB-O 3.02Å
628D72.8Confident77.5Confident102 Ų10274 Ų7455%0.54541%0.414SS..  trans-71.894.8170.8-1762.3000109.3T626 S630 S631T626-D628 PolarHBondContact O-N 2.96Å; D628-S630 PolarHBondContact O-N 3.05Å; D628-S630 VanDerWaalsContact O-N 3.08Å; D628-S630 VanDerWaalsContact OD1-CB 3.28Å; D628-S630 WeakPolarHBondContact OD1-CB 3.33Å; D628-S630 PolarHBondContact OD1-N 3.26Å; D628-S630 VanDerWaalsContact OD1-N 3.09Å; D628-S630 PolarHBondContact OD1-OG 3.4Å; D628-S630 PolarHBondContact OD2-OG 3.35Å; D628-S630 VanDerWaalsContact OD2-OG 3.05Å; D628-S631 WeakPolarHBondContact O-CB 3.47Å; D628-S631 PolarHBondContact O-N 2.9Å; D628-S631 PolarHBondContact O-OG 3.03Å
629W76.3Confident78.1Confident53 Ų5372 Ų7220%0.20140%0.4CS..G310 helixtrans-61.5-17.4-178.7-163-108.3000113.1A627 S631 A632 K637 Y640 A696 R700A627-W629 PolarHBondContact O-N 3.28Å; W629-S631 VanDerWaalsContact C-N 3.27Å; W629-S631 PolarHBondContact O-N 2.96Å; W629-A632 HydrophobicContact CD2-CB 4.18Å; W629-A632 HydrophobicContact CE3-CB 4.07Å; W629-A632 HydrophobicContact CZ3-CB 4.3Å; W629-A632 WeakPolarHBondContact O-CB 3.33Å; W629-A632 PolarHBondContact O-N 2.76Å; W629-K637 HydrophobicContact CZ2-CG 4.43Å; W629-Y640 HydrophobicContact CH2-CD2 4.24Å; W629-Y640 HydrophobicContact CH2-CG 4.09Å; W629-Y640 HydrophobicContact CZ2-CD1 4.1Å; W629-Y640 HydrophobicContact CZ2-CD2 4.09Å; W629-Y640 AromaticContact CZ2-CG 3.64Å; W629-Y640 HydrophobicContact CZ2-CG 3.64Å; W629-A696 WeakPolarHBondContact CH2-O 3.45Å; W629-R700 HydrophobicContact CD2-CB 4.16Å; W629-R700 HydrophobicContact CD2-CG 3.95Å; W629-R700 HydrophobicContact CE3-CB 3.75Å; W629-R700 HydrophobicContact CE3-CG 4.02Å; W629-R700 HydrophobicContact CG-CG 4.33Å; W629-R700 HydrophobicContact CH2-CB 4.14Å; W629-R700 HydrophobicContact CZ3-CB 3.74Å; W629-R700 HydrophobicContact CZ3-CG 4.44Å
630S77.6Confident78.8Confident88 Ų8870.6 Ų70.662%0.61539%0.394SS*.G310 helixtrans-65.9-32.7172.977.20000112D628D628-S630 PolarHBondContact O-N 3.05Å; D628-S630 VanDerWaalsContact O-N 3.08Å; D628-S630 VanDerWaalsContact OD1-CB 3.28Å; D628-S630 WeakPolarHBondContact OD1-CB 3.33Å; D628-S630 PolarHBondContact OD1-N 3.26Å; D628-S630 VanDerWaalsContact OD1-N 3.09Å; D628-S630 PolarHBondContact OD1-OG 3.4Å; D628-S630 PolarHBondContact OD2-OG 3.35Å; D628-S630 VanDerWaalsContact OD2-OG 3.05Å
631S78.9Confident79.4Confident92 Ų9270.9 Ų70.964%0.64339%0.394SS*.G310 helixtrans-85.5-3.5179.1740000114.8D628 W629D628-S631 WeakPolarHBondContact O-CB 3.47Å; D628-S631 PolarHBondContact O-N 2.9Å; D628-S631 PolarHBondContact O-OG 3.03Å; W629-S631 VanDerWaalsContact C-N 3.27Å; W629-S631 PolarHBondContact O-N 2.96Å
632A79.5Confident80.2Confident17 Ų1770.8 Ų70.814%0.1440%0.395CS..  trans-63.1140.7-178.400000112.1W629 K637W629-A632 HydrophobicContact CD2-CB 4.18Å; W629-A632 HydrophobicContact CE3-CB 4.07Å; W629-A632 HydrophobicContact CZ3-CB 4.3Å; W629-A632 WeakPolarHBondContact O-CB 3.33Å; W629-A632 PolarHBondContact O-N 2.76Å; A632-K637 HydrophobicContact CB-CG 4.26Å; A632-K637 VanDerWaalsContact O-CE 3.27Å; A632-K637 WeakPolarHBondContact O-CE 3.41Å; A632-K637 PolarHBondContact O-NZ 2.84Å
633T88Confident81.1Confident74 Ų7466.5 Ų66.545%0.45437%0.367SS..  trans-62.1151.5176.359.40000111E635 M636 K637T633-E635 PolarHBondContact O-N 3.39Å; T633-M636 PolarHBondContact O-N 3.4Å; T633-M636 VanDerWaalsContact O-N 3.08Å; T633-M636 WeakPolarHBondContact OG1-CB 3.06Å; T633-M636 WeakPolarHBondContact OG1-CG 3.48Å; T633-M636 PolarHBondContact OG1-N 2.9Å; T633-M636 PolarHBondContact OG1-SD 3.26Å; T633-K637 PolarHBondContact O-N 2.65Å
634E87.3Confident82.2Confident120 Ų12061.8 Ų61.856%0.56135%0.346SS*.Hα-helixtrans-60.1-34.4178.6-169.257.5-150.700111.7K637 Q638E634-K637 PolarHBondContact O-N 3Å; E634-Q638 VanDerWaalsContact O-CG 3.29Å; E634-Q638 WeakPolarHBondContact O-CG 3.18Å; E634-Q638 PolarHBondContact O-N 2.9Å
635E88.2Confident83.3Confident145 Ų14567.3 Ų67.368%0.67837%0.365SS*.Hα-helixtrans-62.1-44.7173.1-64.1-178.5175.500112.3T633 K637 Q638 N639T633-E635 PolarHBondContact O-N 3.39Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 2.92Å; E635-Q638 PolarHBondContact O-N 2.82Å; E635-N639 WeakPolarHBondContact O-CB 3.35Å; E635-N639 PolarHBondContact O-N 2.89Å; E635-N639 PolarHBondContact O-ND2 3.24Å
636M86.6Confident84.5Confident66 Ų6666.9 Ų66.933%0.32535%0.352SS..Hα-helixtrans-64.5-38.4176.1-74.417084.800111.7T633 N639 Y640 A696T633-M636 PolarHBondContact O-N 3.4Å; T633-M636 VanDerWaalsContact O-N 3.08Å; T633-M636 WeakPolarHBondContact OG1-CB 3.06Å; T633-M636 WeakPolarHBondContact OG1-CG 3.48Å; T633-M636 PolarHBondContact OG1-N 2.9Å; T633-M636 PolarHBondContact OG1-SD 3.26Å; M636-N639 PolarHBondContact O-N 3.07Å; M636-Y640 WeakPolarHBondContact O-CB 3.47Å; M636-Y640 PolarHBondContact O-N 2.97Å; M636-A696 WeakPolarHBondContact O-CB 3.34Å
637K88.5Confident85.5Confident63 Ų6364 Ų6427%0.27433%0.334SS..Hα-helixtrans-64-44.1175.2-70.2175.7-178166.80111.5W629 A632 T633 E634 E635 Y640 E641W629-K637 HydrophobicContact CZ2-CG 4.43Å; A632-K637 HydrophobicContact CB-CG 4.26Å; A632-K637 VanDerWaalsContact O-CE 3.27Å; A632-K637 WeakPolarHBondContact O-CE 3.41Å; A632-K637 PolarHBondContact O-NZ 2.84Å; T633-K637 PolarHBondContact O-N 2.65Å; E634-K637 PolarHBondContact O-N 3Å; E635-K637 VanDerWaalsContact C-N 3.33Å; E635-K637 PolarHBondContact O-N 2.92Å; K637-Y640 PolarHBondContact O-N 2.89Å; K637-E641 WeakPolarHBondContact O-CG 3.4Å; K637-E641 PolarHBondContact O-N 3.31Å
638Q90.3Very high86.5Confident103 Ų10366.5 Ų66.548%0.48133%0.333SS..Hα-helixtrans-63.5-43.6175.8-72.5175.214.200112.1E634 E635 Y640 E641 N642E634-Q638 VanDerWaalsContact O-CG 3.29Å; E634-Q638 WeakPolarHBondContact O-CG 3.18Å; E634-Q638 PolarHBondContact O-N 2.9Å; E635-Q638 PolarHBondContact O-N 2.82Å; Q638-Y640 PolarHBondContact O-N 3.01Å; Q638-E641 PolarHBondContact O-N 3.16Å; Q638-N642 WeakPolarHBondContact O-CB 3.31Å; Q638-N642 VanDerWaalsContact O-CG 3.22Å; Q638-N642 PolarHBondContact O-N 3.01Å; Q638-N642 PolarHBondContact O-ND2 2.99Å
639N90.1Very high87.2Confident44 Ų4466.5 Ų66.524%0.23533%0.33CS..Hα-helixtrans-62.7-41.4176.2-70.4-23.6000111.8E635 M636 N642 G643 E693 A696E635-N639 WeakPolarHBondContact O-CB 3.35Å; E635-N639 PolarHBondContact O-N 2.89Å; E635-N639 PolarHBondContact O-ND2 3.24Å; M636-N639 PolarHBondContact O-N 3.07Å; N639-N642 PolarHBondContact O-N 3.46Å; N639-G643 PolarHBondContact O-N 2.79Å; N639-E693 HydrophobicContact CB-CG 4.45Å; N639-E693 WeakPolarHBondContact O-CG 3.41Å; N639-A696 HydrophobicContact CB-CB 3.93Å
640Y91.9Very high87.7Confident3 Ų365.6 Ų65.61%0.01233%0.328CS..Hα-helixtrans-61.3-49.4174.2170.7-91.9000112.2W629 M636 K637 Q638 N642 G643 M644 I697 R700 Y701W629-Y640 HydrophobicContact CH2-CD2 4.24Å; W629-Y640 HydrophobicContact CH2-CG 4.09Å; W629-Y640 HydrophobicContact CZ2-CD1 4.1Å; W629-Y640 HydrophobicContact CZ2-CD2 4.09Å; W629-Y640 AromaticContact CZ2-CG 3.64Å; W629-Y640 HydrophobicContact CZ2-CG 3.64Å; M636-Y640 WeakPolarHBondContact O-CB 3.47Å; M636-Y640 PolarHBondContact O-N 2.97Å; K637-Y640 PolarHBondContact O-N 2.89Å; Q638-Y640 PolarHBondContact O-N 3.01Å; Y640-N642 VanDerWaalsContact C-N 3.33Å; Y640-N642 PolarHBondContact O-N 3.38Å; Y640-G643 PolarHBondContact O-N 2.87Å; Y640-M644 HydrophobicContact CD1-CG 4.31Å; Y640-M644 HydrophobicContact CD2-CG 4.12Å; Y640-M644 HydrophobicContact CE1-CG 3.79Å; Y640-M644 HydrophobicContact CE2-CG 3.59Å; Y640-M644 HydrophobicContact CE2-SD 4.17Å; Y640-M644 HydrophobicContact CG-CG 4.45Å; Y640-M644 VanDerWaalsContact CZ-CG 3.41Å; Y640-M644 WeakPolarHBondContact O-CB 3.47Å; Y640-M644 WeakPolarHBondContact O-CG 3.32Å; Y640-M644 PolarHBondContact O-N 3.15Å; Y640-I697 HydrophobicContact CD2-CG1 4.11Å; Y640-I697 HydrophobicContact CE2-CG1 4.48Å; Y640-R700 HydrophobicContact CD2-CB 4.41Å; Y640-R700 HydrophobicContact CE2-CB 4.29Å; Y640-R700 HydrophobicContact CE2-CG 4.39Å; Y640-R700 VanDerWaalsContact CZ-CD 3.44Å; Y640-R700 PolarHBondContact OH-NE 2.77Å; Y640-R700 PolarHBondContact OH-NH1 3.44Å; Y640-Y701 AromaticContact CE2-CE2 3.89Å; Y640-Y701 HydrophobicContact CE2-CE2 3.89Å; Y640-Y701 PolarHBondContact OH-OH 2.83Å
641E90.7Very high88.1Confident99 Ų9961.9 Ų61.946%0.46330%0.301SS..Hα-helixtrans-64.3-39-179.9-73.1-60.2152.900111.7K637 Q638 R645K637-E641 WeakPolarHBondContact O-CG 3.4Å; K637-E641 PolarHBondContact O-N 3.31Å; Q638-E641 PolarHBondContact O-N 3.16Å; E641-R645 WeakPolarHBondContact O-CB 3.27Å; E641-R645 PolarHBondContact O-N 3.43Å
642N91.2Very high88.4Confident55 Ų5563.8 Ų63.829%0.29430%0.304SS..Hα-helixtrans-62.4-49.1173.7-74.7-28.5000111.7Q638 N639 Y640 R645 I646 E693Q638-N642 WeakPolarHBondContact O-CB 3.31Å; Q638-N642 VanDerWaalsContact O-CG 3.22Å; Q638-N642 PolarHBondContact O-N 3.01Å; Q638-N642 PolarHBondContact O-ND2 2.99Å; N639-N642 PolarHBondContact O-N 3.46Å; Y640-N642 VanDerWaalsContact C-N 3.33Å; Y640-N642 PolarHBondContact O-N 3.38Å; N642-R645 PolarHBondContact O-N 3.09Å; N642-R645 PolarHBondContact OD1-NH2 3.47Å; N642-I646 VanDerWaalsContact O-CG1 3.29Å; N642-I646 WeakPolarHBondContact O-CG1 3.32Å; N642-I646 PolarHBondContact O-N 2.83Å; N642-E693 WeakPolarHBondContact CB-OE1 3.34Å
643G90.2Very high88.8Confident0 Ų069 Ų690%033%0.325CS..Hα-helixtrans-61.6-46.7178.500000112.8N639 Y640 R645 I646 L647N639-G643 PolarHBondContact O-N 2.79Å; Y640-G643 PolarHBondContact O-N 2.87Å; G643-R645 PolarHBondContact O-N 2.86Å; G643-I646 PolarHBondContact O-N 3.4Å; G643-L647 WeakPolarHBondContact O-CB 3.29Å; G643-L647 VanDerWaalsContact O-CG 3.3Å; G643-L647 WeakPolarHBondContact O-CG 3.36Å; G643-L647 PolarHBondContact O-N 3.34Å
644M90.7Very high88.7Confident0 Ų071.7 Ų71.70%033%0.327CS..Hα-helixtrans-64.7-38.2177.1-73.3-62.9-70.300112.5Y640 L647 R648 F712 H715 L716Y640-M644 HydrophobicContact CD1-CG 4.31Å; Y640-M644 HydrophobicContact CD2-CG 4.12Å; Y640-M644 HydrophobicContact CE1-CG 3.79Å; Y640-M644 HydrophobicContact CE2-CG 3.59Å; Y640-M644 HydrophobicContact CE2-SD 4.17Å; Y640-M644 HydrophobicContact CG-CG 4.45Å; Y640-M644 VanDerWaalsContact CZ-CG 3.41Å; Y640-M644 WeakPolarHBondContact O-CB 3.47Å; Y640-M644 WeakPolarHBondContact O-CG 3.32Å; Y640-M644 PolarHBondContact O-N 3.15Å; M644-L647 PolarHBondContact O-N 3.05Å; M644-L647 HydrophobicContact SD-CD1 4.45Å; M644-R648 WeakPolarHBondContact O-CB 3.36Å; M644-R648 VanDerWaalsContact O-CG 3.27Å; M644-R648 WeakPolarHBondContact O-CG 3.25Å; M644-R648 PolarHBondContact O-N 2.99Å; M644-F712 HydrophobicContact SD-CD2 4.27Å; M644-F712 HydrophobicContact SD-CE2 3.83Å; M644-H715 HydrophobicContact CE-CB 4.25Å; M644-L716 HydrophobicContact CE-CB 4.06Å; M644-L716 HydrophobicContact CE-CD1 3.81Å; M644-L716 HydrophobicContact SD-CD1 4.24Å
645R89.1Confident88.6Confident136 Ų13676.9 Ų76.951%0.51334%0.342SS..Hα-helixtrans-62.1-46.4175.1176.2175.654.691.60.9111.4E641 N642 G643 R648 Q649E641-R645 WeakPolarHBondContact O-CB 3.27Å; E641-R645 PolarHBondContact O-N 3.43Å; N642-R645 PolarHBondContact O-N 3.09Å; N642-R645 PolarHBondContact OD1-NH2 3.47Å; G643-R645 PolarHBondContact O-N 2.86Å; R645-R648 PolarHBondContact O-N 3.05Å; R645-Q649 WeakPolarHBondContact O-CB 3.24Å; R645-Q649 PolarHBondContact O-N 2.83Å
646I89.2Confident88.3Confident35 Ų3572.3 Ų72.318%0.17932%0.322CS..Hα-helixtrans-62.6-44.3176.8-66.5164.7000110.4N642 G643 Q649 K650 L689N642-I646 VanDerWaalsContact O-CG1 3.29Å; N642-I646 WeakPolarHBondContact O-CG1 3.32Å; N642-I646 PolarHBondContact O-N 2.83Å; G643-I646 PolarHBondContact O-N 3.4Å; I646-Q649 PolarHBondContact O-N 3.47Å; I646-K650 HydrophobicContact CG2-CD 4.17Å; I646-K650 WeakPolarHBondContact O-CB 3.38Å; I646-K650 WeakPolarHBondContact O-CG 3.42Å; I646-K650 PolarHBondContact O-N 2.97Å; I646-L689 HydrophobicContact CB-CD2 3.99Å; I646-L689 HydrophobicContact CD1-CD2 4.23Å; I646-L689 HydrophobicContact CG2-CD2 3.94Å
647L89.9Confident88.2Confident0 Ų076 Ų760%034%0.338CS..Hα-helixtrans-63.6-48.8178-74.1169000112G643 M644 Q649 K650 V651 I682 F687 L689 I697 F712 L716G643-L647 WeakPolarHBondContact O-CB 3.29Å; G643-L647 VanDerWaalsContact O-CG 3.3Å; G643-L647 WeakPolarHBondContact O-CG 3.36Å; G643-L647 PolarHBondContact O-N 3.34Å; M644-L647 PolarHBondContact O-N 3.05Å; M644-L647 HydrophobicContact SD-CD1 4.45Å; L647-Q649 VanDerWaalsContact C-N 3.31Å; L647-Q649 PolarHBondContact O-N 2.83Å; L647-K650 PolarHBondContact O-N 2.86Å; L647-V651 WeakPolarHBondContact O-CB 3.47Å; L647-V651 VanDerWaalsContact O-CG2 3.25Å; L647-V651 WeakPolarHBondContact O-CG2 3.27Å; L647-V651 PolarHBondContact O-N 3.01Å; L647-I682 HydrophobicContact CD2-CD1 4.14Å; L647-F687 HydrophobicContact CD2-CB 4.12Å; L647-F687 HydrophobicContact CD2-CD1 4.26Å; L647-F687 HydrophobicContact CD2-CD2 3.4Å; L647-F687 VanDerWaalsContact CD2-CD2 3.4Å; L647-F687 HydrophobicContact CD2-CE2 3.76Å; L647-F687 HydrophobicContact CD2-CG 3.68Å; L647-F687 HydrophobicContact CD2-CZ 4.31Å; L647-L689 HydrophobicContact CD1-CD1 3.99Å; L647-L689 HydrophobicContact CD2-CD1 3.97Å; L647-L689 HydrophobicContact CG-CD1 3.95Å; L647-L689 HydrophobicContact CG-CD2 4.38Å; L647-I697 HydrophobicContact CD1-CD1 3.68Å; L647-F712 HydrophobicContact CD1-CE2 4.02Å; L647-F712 HydrophobicContact CD1-CZ 3.87Å; L647-L716 HydrophobicContact CB-CD1 3.54Å
648R89.3Confident88.1Confident101 Ų10173.3 Ų73.338%0.38133%0.327SS..Hα-helixtrans-58.2-43.8177-75.2-179.4-171.6131.61.8111.6M644 R645 N652 H715 L716M644-R648 WeakPolarHBondContact O-CB 3.36Å; M644-R648 VanDerWaalsContact O-CG 3.27Å; M644-R648 WeakPolarHBondContact O-CG 3.25Å; M644-R648 PolarHBondContact O-N 2.99Å; R645-R648 PolarHBondContact O-N 3.05Å; R648-N652 VanDerWaalsContact O-CB 3.27Å; R648-N652 WeakPolarHBondContact O-CB 3.35Å; R648-N652 PolarHBondContact O-N 3.46Å; R648-H715 PolarHBondContact NH2-O 3.14Å; R648-L716 HydrophobicContact CG-CD1 3.77Å
649Q86.8Confident88Confident102 Ų10271.8 Ų71.848%0.47732%0.324SS..Hα-helixtrans-60-51.8176.8-179.3176.4-0.400110.7R645 I646 L647 V651 N652 E653R645-Q649 WeakPolarHBondContact O-CB 3.24Å; R645-Q649 PolarHBondContact O-N 2.83Å; I646-Q649 PolarHBondContact O-N 3.47Å; L647-Q649 VanDerWaalsContact C-N 3.31Å; L647-Q649 PolarHBondContact O-N 2.83Å; Q649-V651 PolarHBondContact O-N 3.01Å; Q649-N652 PolarHBondContact O-N 3.27Å; Q649-E653 HydrophobicContact CG-CG 4.28Å; Q649-E653 WeakPolarHBondContact CG-OE1 3.49Å; Q649-E653 PolarHBondContact NE2-OE1 2.81Å; Q649-E653 VanDerWaalsContact O-CB 3.32Å; Q649-E653 WeakPolarHBondContact O-CB 3.44Å; Q649-E653 VanDerWaalsContact O-CG 3.24Å; Q649-E653 WeakPolarHBondContact O-CG 3.39Å; Q649-E653 PolarHBondContact O-N 3.24Å
650K87Confident87.9Confident35 Ų3572.9 Ų72.915%0.15233%0.334CS..Hα-helixtrans-66.2-38.4-178.5-71.1-175.2-1791780113.1I646 L647 R654 F687 C688I646-K650 HydrophobicContact CG2-CD 4.17Å; I646-K650 WeakPolarHBondContact O-CB 3.38Å; I646-K650 WeakPolarHBondContact O-CG 3.42Å; I646-K650 PolarHBondContact O-N 2.97Å; L647-K650 PolarHBondContact O-N 2.86Å; K650-R654 VanDerWaalsContact O-CB 3.27Å; K650-R654 WeakPolarHBondContact O-CB 3.4Å; K650-R654 WeakPolarHBondContact O-CG 3.12Å; K650-R654 PolarHBondContact O-N 3.41Å; K650-F687 HydrophobicContact CB-CD1 4.04Å; K650-F687 HydrophobicContact CB-CE1 3.73Å; K650-F687 HydrophobicContact CD-CD1 3.56Å; K650-F687 HydrophobicContact CD-CE1 4.14Å; K650-F687 HydrophobicContact CG-CD1 4.45Å; K650-C688 VanDerWaalsContact NZ-N 3.1Å
651V87.5Confident87.8Confident10 Ų1075.5 Ų75.56%0.06135%0.348CS..Hα-helixtrans-65.1-42.3176.7170.30000110.8L647 Q649 R655 L656 L658 F687 L716L647-V651 WeakPolarHBondContact O-CB 3.47Å; L647-V651 VanDerWaalsContact O-CG2 3.25Å; L647-V651 WeakPolarHBondContact O-CG2 3.27Å; L647-V651 PolarHBondContact O-N 3.01Å; Q649-V651 PolarHBondContact O-N 3.01Å; V651-R655 WeakPolarHBondContact O-CA 3.25Å; V651-R655 PolarHBondContact O-N 3.32Å; V651-L656 PolarHBondContact O-N 2.85Å; V651-L656 VanDerWaalsContact O-N 3.14Å; V651-L658 HydrophobicContact CG2-CD1 3.95Å; V651-L658 HydrophobicContact CG2-CG 4.39Å; V651-F687 HydrophobicContact CG2-CZ 4.18Å; V651-L716 HydrophobicContact CG2-CD2 4.05Å
652N84.7Confident87.7Confident132 Ų13271 Ų7171%0.70633%0.327SS*.Hα-helixtrans-72-41.8178.4-167.224.8000112.4R648 Q649 R654R648-N652 VanDerWaalsContact O-CB 3.27Å; R648-N652 WeakPolarHBondContact O-CB 3.35Å; R648-N652 PolarHBondContact O-N 3.46Å; Q649-N652 PolarHBondContact O-N 3.27Å; N652-R654 VanDerWaalsContact C-N 3.33Å; N652-R654 PolarHBondContact O-N 3.4Å
653E86.6Confident87.6Confident126 Ų12669.9 Ų69.959%0.58933%0.326SS*.Hα-helixtrans-61.5-40.3176.3-77.1174-179.500112.1Q649Q649-E653 HydrophobicContact CG-CG 4.28Å; Q649-E653 WeakPolarHBondContact CG-OE1 3.49Å; Q649-E653 PolarHBondContact NE2-OE1 2.81Å; Q649-E653 VanDerWaalsContact O-CB 3.32Å; Q649-E653 WeakPolarHBondContact O-CB 3.44Å; Q649-E653 VanDerWaalsContact O-CG 3.24Å; Q649-E653 WeakPolarHBondContact O-CG 3.39Å; Q649-E653 PolarHBondContact O-N 3.24Å
654R87Confident87.5Confident130 Ų13073.7 Ų73.749%0.49136%0.357SS..Hα-helixtrans-96.8-6.5-176.8-64.3178.5-178-177.52114.3K650 N652 L656 Y685K650-R654 VanDerWaalsContact O-CB 3.27Å; K650-R654 WeakPolarHBondContact O-CB 3.4Å; K650-R654 WeakPolarHBondContact O-CG 3.12Å; K650-R654 PolarHBondContact O-N 3.41Å; N652-R654 VanDerWaalsContact C-N 3.33Å; N652-R654 PolarHBondContact O-N 3.4Å; R654-L656 VanDerWaalsContact C-N 3.31Å; R654-L656 HydrophobicContact CB-CD1 3.97Å; R654-L656 HydrophobicContact CB-CD2 4.07Å; R654-L656 HydrophobicContact CB-CG 3.63Å; R654-L656 PolarHBondContact O-N 3.26Å; R654-Y685 PolarHBondContact NH1-O 3.45Å
655R84.1Confident87.3Confident230 Ų23076.8 Ų76.887%0.86837%0.371SS*.THydrogen-bonded Turntrans50.747.3-173.9-57.6-178.9178.2-171.9-0.7112.6V651V651-R655 WeakPolarHBondContact O-CA 3.25Å; V651-R655 PolarHBondContact O-N 3.32Å
656L82.8Confident87.3Confident48 Ų4870.6 Ų70.625%0.25135%0.348SS..  trans-79.6130.2-176.6-63.3171.1000111.3V651 R654 L658 Y685 F687V651-L656 PolarHBondContact O-N 2.85Å; V651-L656 VanDerWaalsContact O-N 3.14Å; R654-L656 VanDerWaalsContact C-N 3.31Å; R654-L656 HydrophobicContact CB-CD1 3.97Å; R654-L656 HydrophobicContact CB-CD2 4.07Å; R654-L656 HydrophobicContact CB-CG 3.63Å; R654-L656 PolarHBondContact O-N 3.26Å; L656-L658 HydrophobicContact CB-CD2 3.97Å; L656-L658 HydrophobicContact CD1-CD2 4.45Å; L656-Y685 HydrophobicContact CD1-CD1 4.21Å; L656-F687 HydrophobicContact CD1-CE1 3.91Å; L656-F687 HydrophobicContact CD1-CZ 3.7Å
657E84.7Confident86.9Confident144 Ų14477 Ų7767%0.67338%0.375SS*.  trans-96.1103.6166.1-167.9-178.3172.800108.1P660E657-P660 HydrophobicContact CG-CG 4.5Å; E657-P660 WeakPolarHBondContact O-CD 3.08Å
658L86.1Confident86.7Confident7 Ų781.2 Ų81.24%0.03740%0.396CS..  trans-82.8-22.3-175.3-55.2-179.4000112.9V651 L656 D661 F662 Y685 F687 L713 L716V651-L658 HydrophobicContact CG2-CD1 3.95Å; V651-L658 HydrophobicContact CG2-CG 4.39Å; L656-L658 HydrophobicContact CB-CD2 3.97Å; L656-L658 HydrophobicContact CD1-CD2 4.45Å; L658-D661 PolarHBondContact O-N 3.25Å; L658-F662 HydrophobicContact CB-CD2 4.04Å; L658-F662 HydrophobicContact CB-CE2 4.07Å; L658-F662 HydrophobicContact CD1-CE2 4.47Å; L658-F662 WeakPolarHBondContact O-CD2 3.44Å; L658-F662 PolarHBondContact O-N 3.11Å; L658-Y685 HydrophobicContact CD2-CD1 4.28Å; L658-Y685 HydrophobicContact CD2-CD2 4.05Å; L658-Y685 HydrophobicContact CD2-CE1 3.77Å; L658-Y685 HydrophobicContact CD2-CE2 3.52Å; L658-Y685 HydrophobicContact CD2-CG 4.39Å; L658-Y685 WeakPolarHBondContact CD2-OH 3.16Å; L658-F687 HydrophobicContact CD2-CE2 4.31Å; L658-F687 HydrophobicContact CD2-CZ 4.26Å; L658-L713 HydrophobicContact CB-CD2 3.64Å; L658-L713 HydrophobicContact CD1-CD2 3.87Å; L658-L713 HydrophobicContact CG-CD2 4.33Å; L658-L716 HydrophobicContact CD1-CD2 3.47Å; L658-L716 VanDerWaalsContact CD1-CD2 3.47Å
659T87.7Confident86.3Confident70 Ų7083.5 Ų83.543%0.42941%0.411SS..Hα-helixtrans-48.9-49.3-177.9-47.10000114.5D661 F662 A663T659-D661 PolarHBondContact O-N 2.94Å; T659-F662 PolarHBondContact O-N 3.49Å; T659-A663 VanDerWaalsContact O-CB 3.29Å; T659-A663 WeakPolarHBondContact O-CB 3.36Å; T659-A663 PolarHBondContact O-N 3.29Å
660P88.4Confident86Confident68 Ų6886.9 Ų86.944%0.44242%0.42SS..Hα-helixtrans-64.6-36.8-17824-34.2000113.4E657 A663 A664E657-P660 HydrophobicContact CG-CG 4.5Å; E657-P660 WeakPolarHBondContact O-CD 3.08Å; P660-A663 PolarHBondContact O-N 3.37Å; P660-A664 PolarHBondContact O-N 3.46Å
661D89Confident85.9Confident58 Ų5885.3 Ų85.331%0.3141%0.413SS..Hα-helixtrans-73.8-38.3-178.4-64.6-50.3000111.4L658 T659 A664 F665 L681 M684 Y685L658-D661 PolarHBondContact O-N 3.25Å; T659-D661 PolarHBondContact O-N 2.94Å; D661-A664 WeakPolarHBondContact O-CB 3.28Å; D661-A664 PolarHBondContact O-N 3.29Å; D661-F665 VanDerWaalsContact O-CD2 3.27Å; D661-F665 WeakPolarHBondContact O-CD2 3.27Å; D661-L681 HydrophobicContact CB-CD2 3.86Å; D661-M684 HydrophobicContact CB-CE 4.08Å; D661-Y685 WeakPolarHBondContact CB-OH 3.49Å; D661-Y685 VanDerWaalsContact OD2-CZ 3.28Å; D661-Y685 PolarHBondContact OD2-OH 3.1Å
662F89.6Confident85.9Confident3 Ų386 Ų861%0.01342%0.417CS..Hα-helixtrans-63.7-42.1170.2-83.2-80.8000112L658 T659 A664 F665 D666 V673 F678 L681 F707 Y709 F712 L713L658-F662 HydrophobicContact CB-CD2 4.04Å; L658-F662 HydrophobicContact CB-CE2 4.07Å; L658-F662 HydrophobicContact CD1-CE2 4.47Å; L658-F662 WeakPolarHBondContact O-CD2 3.44Å; L658-F662 PolarHBondContact O-N 3.11Å; T659-F662 PolarHBondContact O-N 3.49Å; F662-A664 VanDerWaalsContact C-N 3.25Å; F662-A664 PolarHBondContact O-N 2.87Å; F662-F665 PolarHBondContact O-N 2.92Å; F662-D666 PolarHBondContact O-N 3.33Å; F662-V673 HydrophobicContact CD1-CG2 4.32Å; F662-F678 AromaticContact CE1-CD2 3.86Å; F662-F678 HydrophobicContact CE1-CD2 3.86Å; F662-F678 HydrophobicContact CE1-CE2 4.48Å; F662-F678 AromaticContact CZ-CD2 3.87Å; F662-F678 HydrophobicContact CZ-CD2 3.87Å; F662-F678 HydrophobicContact CZ-CE2 4.09Å; F662-L681 HydrophobicContact CD1-CD1 3.35Å; F662-L681 HydrophobicContact CD2-CD1 4.18Å; F662-L681 HydrophobicContact CE1-CD1 3.42Å; F662-L681 VanDerWaalsContact CE1-CD1 3.42Å; F662-L681 HydrophobicContact CE2-CD1 4.21Å; F662-L681 HydrophobicContact CG-CD1 3.78Å; F662-L681 HydrophobicContact CZ-CD1 3.85Å; F662-F707 HydrophobicContact CE1-CE1 4.27Å; F662-Y709 HydrophobicContact CB-CD1 4.32Å; F662-Y709 HydrophobicContact CB-CD2 3.4Å; F662-Y709 VanDerWaalsContact CB-CD2 3.4Å; F662-Y709 HydrophobicContact CB-CE2 3.79Å; F662-Y709 HydrophobicContact CB-CG 3.71Å; F662-Y709 HydrophobicContact CD1-CD1 4.3Å; F662-Y709 HydrophobicContact CD1-CD2 4.14Å; F662-Y709 AromaticContact CD1-CG 3.66Å; F662-Y709 HydrophobicContact CD1-CG 3.66Å; F662-Y709 HydrophobicContact CE1-CG 4.49Å; F662-Y709 AromaticContact CG-CD2 3.86Å; F662-Y709 HydrophobicContact CG-CD2 3.86Å; F662-Y709 AromaticContact CG-CG 3.88Å; F662-Y709 HydrophobicContact CG-CG 3.88Å; F662-F712 HydrophobicContact CE2-CD1 4.35Å; F662-F712 HydrophobicContact CE2-CE1 4.08Å; F662-F712 AromaticContact CZ-CD1 3.99Å; F662-F712 HydrophobicContact CZ-CD1 3.99Å; F662-F712 AromaticContact CZ-CE1 3.81Å; F662-F712 HydrophobicContact CZ-CE1 3.81Å; F662-L713 HydrophobicContact CD2-CD1 4.11Å; F662-L713 HydrophobicContact CD2-CD2 4.15Å; F662-L713 HydrophobicContact CD2-CG 4.39Å; F662-L713 HydrophobicContact CE2-CD2 4.03Å
663A88.5Confident86.1Confident32 Ų3280 Ų8026%0.26439%0.385SS..Hα-helixtrans-64.3-29.8177.400000112.5T659 P660 F665 D666T659-A663 VanDerWaalsContact O-CB 3.29Å; T659-A663 WeakPolarHBondContact O-CB 3.36Å; T659-A663 PolarHBondContact O-N 3.29Å; P660-A663 PolarHBondContact O-N 3.37Å; A663-F665 VanDerWaalsContact C-N 3.3Å; A663-F665 PolarHBondContact O-N 2.99Å; A663-D666 PolarHBondContact O-N 3.08Å
664A89Confident86.2Confident80 Ų8077.4 Ų77.466%0.66138%0.377SS*.Hα-helixtrans-65.9-30.4175.200000113P660 D661 F662P660-A664 PolarHBondContact O-N 3.46Å; D661-A664 WeakPolarHBondContact O-CB 3.28Å; D661-A664 PolarHBondContact O-N 3.29Å; F662-A664 VanDerWaalsContact C-N 3.25Å; F662-A664 PolarHBondContact O-N 2.87Å
665F87Confident86.3Confident66 Ų6673.7 Ų73.729%0.28937%0.369SS..Hα-helixtrans-85.6-16.3174.5-73.6-77.2000113.7D661 F662 A663 F667 V673 N677 L681D661-F665 VanDerWaalsContact O-CD2 3.27Å; D661-F665 WeakPolarHBondContact O-CD2 3.27Å; F662-F665 PolarHBondContact O-N 2.92Å; A663-F665 VanDerWaalsContact C-N 3.3Å; A663-F665 PolarHBondContact O-N 2.99Å; F665-F667 PolarHBondContact O-N 3.39Å; F665-V673 HydrophobicContact CB-CG1 4.07Å; F665-V673 HydrophobicContact CB-CG2 4.12Å; F665-N677 HydrophobicContact CB-CB 4.38Å; F665-N677 HydrophobicContact CD1-CB 4.05Å; F665-N677 HydrophobicContact CG-CB 4.21Å; F665-L681 HydrophobicContact CD2-CD1 3.92Å; F665-L681 HydrophobicContact CD2-CD2 3.78Å; F665-L681 HydrophobicContact CD2-CG 3.88Å; F665-L681 HydrophobicContact CE2-CD1 4.32Å; F665-L681 HydrophobicContact CE2-CD2 3.47Å; F665-L681 VanDerWaalsContact CE2-CD2 3.47Å; F665-L681 HydrophobicContact CE2-CG 3.76Å
666D88.4Confident86.5Confident5 Ų567.9 Ų67.93%0.02736%0.355CS..  trans-97.876.5179.2-179.615.5000111.7F662 A663 L668 H669 R670 G671 V673 Y709F662-D666 PolarHBondContact O-N 3.33Å; A663-D666 PolarHBondContact O-N 3.08Å; D666-L668 PolarHBondContact O-N 3.23Å; D666-H669 PolarHBondContact O-N 3.23Å; D666-H669 VanDerWaalsContact O-N 3.1Å; D666-H669 PolarHBondContact O-ND1 3.23Å; D666-H669 WeakPolarHBondContact OD1-CA 3.44Å; D666-H669 PolarHBondContact OD1-N 3.17Å; D666-H669 VanDerWaalsContact OD2-C 3.3Å; D666-H669 VanDerWaalsContact OD2-CA 3.29Å; D666-H669 WeakPolarHBondContact OD2-CA 3.13Å; D666-R670 PolarHBondContact OD1-N 2.48Å; D666-R670 PolarHBondContact OD2-N 2.84Å; D666-G671 WeakPolarHBondContact OD2-CA 3.38Å; D666-G671 PolarHBondContact OD2-N 3.06Å; D666-V673 HydrophobicContact CB-CG2 4.06Å; D666-Y709 HydrophobicContact CB-CE1 3.75Å; D666-Y709 WeakPolarHBondContact OD2-CE1 3.35Å; D666-Y709 PolarHBondContact OD2-OH 3.46Å
667F81Confident86.8Confident171 Ų17167.2 Ų67.275%0.7535%0.352SS*.THydrogen-bonded Turntrans-62.9-20.618062.8-82.8000114.3F665F665-F667 PolarHBondContact O-N 3.39Å
668L84.5Confident87Confident87 Ų8760.3 Ų60.346%0.45532%0.32SS..THydrogen-bonded Turntrans-95.6-3178.4-62.9170.2000112.7D666 R670D666-L668 PolarHBondContact O-N 3.23Å; L668-R670 HydrophobicContact CB-CB 4.49Å; L668-R670 HydrophobicContact CB-CG 3.69Å; L668-R670 PolarHBondContact O-N 3.1Å
669H81.5Confident87.2Confident150 Ų15064.1 Ų64.169%0.69434%0.335SS*.  trans48.639.2-172.4-58.6-53.5000112.8D666 G671D666-H669 PolarHBondContact O-N 3.23Å; D666-H669 VanDerWaalsContact O-N 3.1Å; D666-H669 PolarHBondContact O-ND1 3.23Å; D666-H669 WeakPolarHBondContact OD1-CA 3.44Å; D666-H669 PolarHBondContact OD1-N 3.17Å; D666-H669 VanDerWaalsContact OD2-C 3.3Å; D666-H669 VanDerWaalsContact OD2-CA 3.29Å; D666-H669 WeakPolarHBondContact OD2-CA 3.13Å; H669-G671 VanDerWaalsContact C-N 3.33Å
670R80.9Confident87.2Confident172 Ų17265.9 Ų65.965%0.64934%0.338SS*.SBendtrans-83-11.3-179.4-75179.6-179.4-160.65.1113D666 L668 I672D666-R670 PolarHBondContact OD1-N 2.48Å; D666-R670 PolarHBondContact OD2-N 2.84Å; L668-R670 HydrophobicContact CB-CB 4.49Å; L668-R670 HydrophobicContact CB-CG 3.69Å; L668-R670 PolarHBondContact O-N 3.1Å; R670-I672 VanDerWaalsContact C-N 3.32Å; R670-I672 HydrophobicContact CB-CG1 4.38Å
671G85.4Confident87.2Confident2 Ų262.7 Ų62.72%0.02132%0.317CS..SBendtrans80.314.3-169.700000113.4D666 H669 N708 Y709D666-G671 WeakPolarHBondContact OD2-CA 3.38Å; D666-G671 PolarHBondContact OD2-N 3.06Å; H669-G671 VanDerWaalsContact C-N 3.33Å; G671-N708 PolarHBondContact O-OD1 3.39Å; G671-Y709 VanDerWaalsContact O-CD1 3.25Å; G671-Y709 WeakPolarHBondContact O-CD1 3.41Å; G671-Y709 WeakPolarHBondContact O-CE1 3.29Å; G671-Y709 PolarHBondContact O-N 3.27Å
672I87.1Confident87.1Confident26 Ų2660.2 Ų60.213%0.13330%0.304CS..EExtended strand (participates in β ladder)trans-129.4136.2-171.8-51.6177.1000109.6R670 D705 F707R670-I672 VanDerWaalsContact C-N 3.32Å; R670-I672 HydrophobicContact CB-CG1 4.38Å; I672-D705 HydrophobicContact CD1-CB 3.69Å; I672-D705 HydrophobicContact CG2-CB 4.48Å; I672-F707 WeakPolarHBondContact CA-O 3.23Å
673V89.4Confident87Confident5 Ų564.6 Ų64.63%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-129.2149.4178.7168.30000108.2F662 F665 D666 N677 F707 Y709F662-V673 HydrophobicContact CD1-CG2 4.32Å; F665-V673 HydrophobicContact CB-CG1 4.07Å; F665-V673 HydrophobicContact CB-CG2 4.12Å; D666-V673 HydrophobicContact CB-CG2 4.06Å; V673-N677 HydrophobicContact CG1-CB 3.22Å; V673-F707 PolarHBondContact N-O 2.84Å; V673-F707 WeakPolarHBondContact O-CA 3.09Å; V673-F707 VanDerWaalsContact O-CB 3.28Å; V673-F707 WeakPolarHBondContact O-CB 3.2Å; V673-F707 PolarHBondContact O-N 3.18Å; V673-Y709 HydrophobicContact CB-CD1 4.21Å; V673-Y709 HydrophobicContact CG2-CD1 3.48Å; V673-Y709 VanDerWaalsContact CG2-CD1 3.48Å; V673-Y709 HydrophobicContact CG2-CE1 3.81Å; V673-Y709 HydrophobicContact CG2-CG 4.36Å
674T88.8Confident87Confident71 Ų7168.1 Ų68.144%0.43635%0.347SS..  trans-66.4153.2178.667.10000111N676 N677 F678T674-N676 PolarHBondContact O-N 2.77Å; T674-N677 PolarHBondContact O-N 3.38Å; T674-N677 WeakPolarHBondContact OG1-CB 3.3Å; T674-N677 PolarHBondContact OG1-N 3.17Å; T674-N677 PolarHBondContact OG1-ND2 2.75Å; T674-N677 PolarHBondContact OG1-OD1 3.11Å; T674-F678 PolarHBondContact O-N 3.36Å
675T87.9Confident86.8Confident52 Ų5265.6 Ų65.632%0.31932%0.321SS..Hα-helixtrans-57.3-38.4177.451.50000111.8F678 Y679 I698T675-F678 WeakPolarHBondContact O-CB 3.44Å; T675-F678 PolarHBondContact O-N 2.81Å; T675-Y679 WeakPolarHBondContact O-CD2 3.43Å; T675-Y679 PolarHBondContact O-N 3.34Å; T675-I698 HydrophobicContact CG2-CG2 3.81Å
676N88Confident86.6Confident108 Ų10864.2 Ų64.258%0.57833%0.325SS*.Hα-helixtrans-61.9-42.2174.5-70.5-19.7000112.9T674 F678 Y679 Q680T674-N676 PolarHBondContact O-N 2.77Å; N676-F678 VanDerWaalsContact C-N 3.31Å; N676-F678 PolarHBondContact O-N 3.25Å; N676-Y679 PolarHBondContact O-N 2.93Å; N676-Q680 WeakPolarHBondContact O-CG 3.29Å; N676-Q680 PolarHBondContact O-N 2.93Å
677N89.5Confident86.3Confident34 Ų3464.5 Ų64.518%0.18233%0.326CS..Hα-helixtrans-66.4-35.1176.3-70.50.6000111F665 V673 T674 Q680 L681F665-N677 HydrophobicContact CB-CB 4.38Å; F665-N677 HydrophobicContact CD1-CB 4.05Å; F665-N677 HydrophobicContact CG-CB 4.21Å; V673-N677 HydrophobicContact CG1-CB 3.22Å; T674-N677 PolarHBondContact O-N 3.38Å; T674-N677 WeakPolarHBondContact OG1-CB 3.3Å; T674-N677 PolarHBondContact OG1-N 3.17Å; T674-N677 PolarHBondContact OG1-ND2 2.75Å; T674-N677 PolarHBondContact OG1-OD1 3.11Å; N677-Q680 PolarHBondContact O-N 2.87Å; N677-L681 WeakPolarHBondContact O-CG 3.3Å; N677-L681 PolarHBondContact O-N 3.46Å
678F90.1Very high86.3Confident0 Ų061.3 Ų61.30%032%0.324CS..Hα-helixtrans-62.2-46.1171.5176.6-111.5000111.9F662 T674 T675 N676 Q680 L681 I682 I694 I697 I698 F707 F712F662-F678 AromaticContact CE1-CD2 3.86Å; F662-F678 HydrophobicContact CE1-CD2 3.86Å; F662-F678 HydrophobicContact CE1-CE2 4.48Å; F662-F678 AromaticContact CZ-CD2 3.87Å; F662-F678 HydrophobicContact CZ-CD2 3.87Å; F662-F678 HydrophobicContact CZ-CE2 4.09Å; T674-F678 PolarHBondContact O-N 3.36Å; T675-F678 WeakPolarHBondContact O-CB 3.44Å; T675-F678 PolarHBondContact O-N 2.81Å; N676-F678 VanDerWaalsContact C-N 3.31Å; N676-F678 PolarHBondContact O-N 3.25Å; F678-Q680 VanDerWaalsContact C-N 3.31Å; F678-Q680 PolarHBondContact O-N 3.03Å; F678-L681 PolarHBondContact O-N 3.14Å; F678-I682 HydrophobicContact CD1-CG1 4.47Å; F678-I682 HydrophobicContact CD2-CG1 4.3Å; F678-I682 HydrophobicContact CE1-CG1 4.09Å; F678-I682 HydrophobicContact CE2-CD1 3.82Å; F678-I682 HydrophobicContact CE2-CG1 3.9Å; F678-I682 HydrophobicContact CZ-CD1 3.84Å; F678-I682 HydrophobicContact CZ-CG1 3.78Å; F678-I682 WeakPolarHBondContact O-CG1 3.21Å; F678-I682 PolarHBondContact O-N 3.33Å; F678-I694 HydrophobicContact CD1-CG2 4.31Å; F678-I694 HydrophobicContact CE1-CG2 3.87Å; F678-I697 HydrophobicContact CE1-CG2 4.06Å; F678-I697 HydrophobicContact CZ-CB 4.45Å; F678-I697 HydrophobicContact CZ-CG2 3.66Å; F678-I698 HydrophobicContact CD1-CD1 3.99Å; F678-I698 HydrophobicContact CD1-CG1 3.64Å; F678-I698 HydrophobicContact CE1-CD1 4.38Å; F678-I698 HydrophobicContact CE1-CG1 3.81Å; F678-F707 HydrophobicContact CB-CD1 4.25Å; F678-F707 HydrophobicContact CB-CG 4.3Å; F678-F707 HydrophobicContact CD1-CD2 4.4Å; F678-F707 HydrophobicContact CD1-CE2 4.17Å; F678-F707 HydrophobicContact CD1-CZ 4.32Å; F678-F707 AromaticContact CD2-CD1 3.95Å; F678-F707 HydrophobicContact CD2-CD1 3.95Å; F678-F707 AromaticContact CD2-CE1 3.5Å; F678-F707 HydrophobicContact CD2-CE1 3.5Å; F678-F707 HydrophobicContact CD2-CE2 4.33Å; F678-F707 AromaticContact CD2-CZ 3.71Å; F678-F707 HydrophobicContact CD2-CZ 3.71Å; F678-F707 HydrophobicContact CE1-CE2 4.09Å; F678-F707 HydrophobicContact CE1-CZ 4.14Å; F678-F707 AromaticContact CE2-CE1 3.69Å; F678-F707 HydrophobicContact CE2-CE1 3.69Å; F678-F707 HydrophobicContact CE2-CE2 4.27Å; F678-F707 AromaticContact CE2-CZ 3.52Å; F678-F707 HydrophobicContact CE2-CZ 3.52Å; F678-F707 HydrophobicContact CG-CD1 4.13Å; F678-F707 HydrophobicContact CG-CD2 4.37Å; F678-F707 HydrophobicContact CG-CE1 4.05Å; F678-F707 HydrophobicContact CG-CE2 4.27Å; F678-F707 HydrophobicContact CG-CG 4.3Å; F678-F707 HydrophobicContact CG-CZ 4.12Å; F678-F707 HydrophobicContact CZ-CE1 4.37Å; F678-F707 HydrophobicContact CZ-CE2 4.16Å; F678-F707 AromaticContact CZ-CZ 3.75Å; F678-F707 HydrophobicContact CZ-CZ 3.75Å; F678-F712 HydrophobicContact CE2-CD1 4.49Å; F678-F712 HydrophobicContact CE2-CE1 4.03Å; F678-F712 HydrophobicContact CE2-CE2 4.48Å; F678-F712 HydrophobicContact CE2-CZ 4.01Å; F678-F712 HydrophobicContact CZ-CZ 4.36Å
679Y88.8Confident86.3Confident87 Ų8758.1 Ų58.134%0.34131%0.307SS..Hα-helixtrans-57.8-42.9173.2-79.9-78.3000112.1T675 N676 L681 I682 S683 I694 D695 I698T675-Y679 WeakPolarHBondContact O-CD2 3.43Å; T675-Y679 PolarHBondContact O-N 3.34Å; N676-Y679 PolarHBondContact O-N 2.93Å; Y679-L681 VanDerWaalsContact C-N 3.34Å; Y679-L681 PolarHBondContact O-N 3.05Å; Y679-I682 PolarHBondContact O-N 3.01Å; Y679-S683 WeakPolarHBondContact O-CB 3.37Å; Y679-S683 PolarHBondContact O-N 3.17Å; Y679-I694 HydrophobicContact CD1-CD1 4.21Å; Y679-I694 HydrophobicContact CD1-CG2 3.77Å; Y679-I694 HydrophobicContact CE1-CB 4.03Å; Y679-I694 HydrophobicContact CE1-CD1 4.11Å; Y679-I694 HydrophobicContact CE1-CG2 3.31Å; Y679-D695 PolarHBondContact OH-OD1 2.92Å; Y679-I698 HydrophobicContact CD2-CD1 4.08Å; Y679-I698 HydrophobicContact CE1-CD1 4.38Å; Y679-I698 HydrophobicContact CE2-CD1 3.32Å; Y679-I698 VanDerWaalsContact CZ-CD1 3.48Å; Y679-I698 WeakPolarHBondContact OH-CD1 3.38Å
680Q87.5Confident86.7Confident107 Ų10756.1 Ų56.150%0.530%0.301SS..Hα-helixtrans-60.6-42.8176.9-72.3176.312.400111.7N676 N677 F678 S683 M684N676-Q680 WeakPolarHBondContact O-CG 3.29Å; N676-Q680 PolarHBondContact O-N 2.93Å; N677-Q680 PolarHBondContact O-N 2.87Å; F678-Q680 VanDerWaalsContact C-N 3.31Å; F678-Q680 PolarHBondContact O-N 3.03Å; Q680-S683 PolarHBondContact O-N 3.27Å; Q680-M684 VanDerWaalsContact O-CB 3.26Å; Q680-M684 WeakPolarHBondContact O-CB 3.3Å; Q680-M684 PolarHBondContact O-N 3.39Å
681L89.5Confident87Confident0 Ų052.2 Ų52.20%030%0.298CS..Hα-helixtrans-63.2-46.8176.5-75.8169000112D661 F662 F665 N677 F678 Y679 S683 M684 Y685D661-L681 HydrophobicContact CB-CD2 3.86Å; F662-L681 HydrophobicContact CD1-CD1 3.35Å; F662-L681 HydrophobicContact CD2-CD1 4.18Å; F662-L681 HydrophobicContact CE1-CD1 3.42Å; F662-L681 VanDerWaalsContact CE1-CD1 3.42Å; F662-L681 HydrophobicContact CE2-CD1 4.21Å; F662-L681 HydrophobicContact CG-CD1 3.78Å; F662-L681 HydrophobicContact CZ-CD1 3.85Å; F665-L681 HydrophobicContact CD2-CD1 3.92Å; F665-L681 HydrophobicContact CD2-CD2 3.78Å; F665-L681 HydrophobicContact CD2-CG 3.88Å; F665-L681 HydrophobicContact CE2-CD1 4.32Å; F665-L681 HydrophobicContact CE2-CD2 3.47Å; F665-L681 VanDerWaalsContact CE2-CD2 3.47Å; F665-L681 HydrophobicContact CE2-CG 3.76Å; N677-L681 WeakPolarHBondContact O-CG 3.3Å; N677-L681 PolarHBondContact O-N 3.46Å; F678-L681 PolarHBondContact O-N 3.14Å; Y679-L681 VanDerWaalsContact C-N 3.34Å; Y679-L681 PolarHBondContact O-N 3.05Å; L681-S683 VanDerWaalsContact C-N 3.28Å; L681-S683 PolarHBondContact O-N 3.36Å; L681-M684 HydrophobicContact CD2-CE 3.74Å; L681-M684 WeakPolarHBondContact O-CB 3.5Å; L681-M684 PolarHBondContact O-N 3.09Å; L681-M684 VanDerWaalsContact O-N 3.15Å; L681-Y685 HydrophobicContact CB-CE2 4.48Å; L681-Y685 HydrophobicContact CD2-CE2 4.27Å; L681-Y685 WeakPolarHBondContact O-CD2 3.35Å; L681-Y685 PolarHBondContact O-N 3.37Å
682I87.7Confident87.2Confident7 Ų754.2 Ų54.24%0.03631%0.314CS..Hα-helixtrans-59-41.8176.2-65.4-56.7000111.1L647 F678 Y679 G686 F687 L689 I694L647-I682 HydrophobicContact CD2-CD1 4.14Å; F678-I682 HydrophobicContact CD1-CG1 4.47Å; F678-I682 HydrophobicContact CD2-CG1 4.3Å; F678-I682 HydrophobicContact CE1-CG1 4.09Å; F678-I682 HydrophobicContact CE2-CD1 3.82Å; F678-I682 HydrophobicContact CE2-CG1 3.9Å; F678-I682 HydrophobicContact CZ-CD1 3.84Å; F678-I682 HydrophobicContact CZ-CG1 3.78Å; F678-I682 WeakPolarHBondContact O-CG1 3.21Å; F678-I682 PolarHBondContact O-N 3.33Å; Y679-I682 PolarHBondContact O-N 3.01Å; I682-G686 PolarHBondContact O-N 3.47Å; I682-F687 HydrophobicContact CD1-CD2 3.82Å; I682-F687 HydrophobicContact CG2-CB 3.95Å; I682-F687 PolarHBondContact O-N 3.45Å; I682-L689 HydrophobicContact CD1-CD1 4.29Å; I682-L689 HydrophobicContact CG2-CD1 4.03Å; I682-I694 HydrophobicContact CG2-CD1 4.15Å
683S87.3Confident87.3Confident95 Ų9553.4 Ų53.466%0.66431%0.31SS*.Hα-helixtrans-66.5-40.7175.3-170.40000112.3Y679 Q680 L681 G686Y679-S683 WeakPolarHBondContact O-CB 3.37Å; Y679-S683 PolarHBondContact O-N 3.17Å; Q680-S683 PolarHBondContact O-N 3.27Å; L681-S683 VanDerWaalsContact C-N 3.28Å; L681-S683 PolarHBondContact O-N 3.36Å; S683-G686 PolarHBondContact O-N 3.2Å; S683-G686 VanDerWaalsContact O-N 3.13Å
684M87.4Confident87.3Confident105 Ų10553.9 Ų53.952%0.51731%0.312SS..Hα-helixtrans-62.9-42.6-179.3-175.3-176.177.200111.9D661 Q680 L681 G686D661-M684 HydrophobicContact CB-CE 4.08Å; Q680-M684 VanDerWaalsContact O-CB 3.26Å; Q680-M684 WeakPolarHBondContact O-CB 3.3Å; Q680-M684 PolarHBondContact O-N 3.39Å; L681-M684 HydrophobicContact CD2-CE 3.74Å; L681-M684 WeakPolarHBondContact O-CB 3.5Å; L681-M684 PolarHBondContact O-N 3.09Å; L681-M684 VanDerWaalsContact O-N 3.15Å; M684-G686 PolarHBondContact O-N 3.26Å
685Y84.8Confident87.3Confident28 Ų2854 Ų5411%0.1131%0.31CS..THydrogen-bonded Turntrans-76.4-5.3176.6-66.6-66.6000114R654 L656 L658 D661 L681 F687R654-Y685 PolarHBondContact NH1-O 3.45Å; L656-Y685 HydrophobicContact CD1-CD1 4.21Å; L658-Y685 HydrophobicContact CD2-CD1 4.28Å; L658-Y685 HydrophobicContact CD2-CD2 4.05Å; L658-Y685 HydrophobicContact CD2-CE1 3.77Å; L658-Y685 HydrophobicContact CD2-CE2 3.52Å; L658-Y685 HydrophobicContact CD2-CG 4.39Å; L658-Y685 WeakPolarHBondContact CD2-OH 3.16Å; D661-Y685 WeakPolarHBondContact CB-OH 3.49Å; D661-Y685 VanDerWaalsContact OD2-CZ 3.28Å; D661-Y685 PolarHBondContact OD2-OH 3.1Å; L681-Y685 HydrophobicContact CB-CE2 4.48Å; L681-Y685 HydrophobicContact CD2-CE2 4.27Å; L681-Y685 WeakPolarHBondContact O-CD2 3.35Å; L681-Y685 PolarHBondContact O-N 3.37Å; Y685-F687 VanDerWaalsContact C-N 3.28Å; Y685-F687 VanDerWaalsContact CB-CE2 3.42Å; Y685-F687 HydrophobicContact CD2-CD2 4.13Å; Y685-F687 AromaticContact CD2-CE2 3.58Å; Y685-F687 HydrophobicContact CD2-CE2 3.58Å; Y685-F687 HydrophobicContact CD2-CZ 4.23Å; Y685-F687 HydrophobicContact CE2-CE2 4.48Å; Y685-F687 HydrophobicContact CG-CD2 4.25Å; Y685-F687 AromaticContact CG-CE2 3.68Å; Y685-F687 HydrophobicContact CG-CE2 3.68Å; Y685-F687 AromaticContact CG-CZ 3.93Å; Y685-F687 HydrophobicContact CG-CZ 3.93Å; Y685-F687 PolarHBondContact O-N 3Å
686G83.1Confident87.4Confident37 Ų3751.6 Ų51.638%0.38130%0.295SS..THydrogen-bonded Turntrans63.835.3-173.900000112.2I682 S683 M684 C688I682-G686 PolarHBondContact O-N 3.47Å; S683-G686 PolarHBondContact O-N 3.2Å; S683-G686 VanDerWaalsContact O-N 3.13Å; M684-G686 PolarHBondContact O-N 3.26Å; G686-C688 PolarHBondContact O-N 3.02Å; G686-C688 VanDerWaalsContact O-N 3.11Å
687F82.3Confident87.5Confident10 Ų1046.5 Ų46.54%0.04427%0.268CS..  trans-77.595173.1-64.8-35.6000109L647 K650 V651 L656 L658 I682 Y685 L689L647-F687 HydrophobicContact CD2-CB 4.12Å; L647-F687 HydrophobicContact CD2-CD1 4.26Å; L647-F687 HydrophobicContact CD2-CD2 3.4Å; L647-F687 VanDerWaalsContact CD2-CD2 3.4Å; L647-F687 HydrophobicContact CD2-CE2 3.76Å; L647-F687 HydrophobicContact CD2-CG 3.68Å; L647-F687 HydrophobicContact CD2-CZ 4.31Å; K650-F687 HydrophobicContact CB-CD1 4.04Å; K650-F687 HydrophobicContact CB-CE1 3.73Å; K650-F687 HydrophobicContact CD-CD1 3.56Å; K650-F687 HydrophobicContact CD-CE1 4.14Å; K650-F687 HydrophobicContact CG-CD1 4.45Å; V651-F687 HydrophobicContact CG2-CZ 4.18Å; L656-F687 HydrophobicContact CD1-CE1 3.91Å; L656-F687 HydrophobicContact CD1-CZ 3.7Å; L658-F687 HydrophobicContact CD2-CE2 4.31Å; L658-F687 HydrophobicContact CD2-CZ 4.26Å; I682-F687 HydrophobicContact CD1-CD2 3.82Å; I682-F687 HydrophobicContact CG2-CB 3.95Å; I682-F687 PolarHBondContact O-N 3.45Å; Y685-F687 VanDerWaalsContact C-N 3.28Å; Y685-F687 VanDerWaalsContact CB-CE2 3.42Å; Y685-F687 HydrophobicContact CD2-CD2 4.13Å; Y685-F687 AromaticContact CD2-CE2 3.58Å; Y685-F687 HydrophobicContact CD2-CE2 3.58Å; Y685-F687 HydrophobicContact CD2-CZ 4.23Å; Y685-F687 HydrophobicContact CE2-CE2 4.48Å; Y685-F687 HydrophobicContact CG-CD2 4.25Å; Y685-F687 AromaticContact CG-CE2 3.68Å; Y685-F687 HydrophobicContact CG-CE2 3.68Å; Y685-F687 AromaticContact CG-CZ 3.93Å; Y685-F687 HydrophobicContact CG-CZ 3.93Å; Y685-F687 PolarHBondContact O-N 3Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 HydrophobicContact CB-CG 4.48Å; F687-L689 PolarHBondContact O-N 3.2Å
688C80.8Confident87.4Confident104 Ų10445.9 Ų45.970%0.70326%0.264SS*.  trans-64.290168.9-44.90000110.2K650 G686K650-C688 VanDerWaalsContact NZ-N 3.1Å; G686-C688 PolarHBondContact O-N 3.02Å; G686-C688 VanDerWaalsContact O-N 3.11Å
689L85.2Confident87.2Confident21 Ų2147.7 Ų47.711%0.1128%0.277CS..  trans-111.2145.6170.4-68.1172.4000108.4I646 L647 I682 F687 E693 I694 I697I646-L689 HydrophobicContact CB-CD2 3.99Å; I646-L689 HydrophobicContact CD1-CD2 4.23Å; I646-L689 HydrophobicContact CG2-CD2 3.94Å; L647-L689 HydrophobicContact CD1-CD1 3.99Å; L647-L689 HydrophobicContact CD2-CD1 3.97Å; L647-L689 HydrophobicContact CG-CD1 3.95Å; L647-L689 HydrophobicContact CG-CD2 4.38Å; I682-L689 HydrophobicContact CD1-CD1 4.29Å; I682-L689 HydrophobicContact CG2-CD1 4.03Å; F687-L689 VanDerWaalsContact C-N 3.31Å; F687-L689 HydrophobicContact CB-CG 4.48Å; F687-L689 PolarHBondContact O-N 3.2Å; L689-E693 WeakPolarHBondContact CA-OE2 3.05Å; L689-E693 HydrophobicContact CB-CB 4.48Å; L689-I694 HydrophobicContact CB-CD1 4.12Å; L689-I694 HydrophobicContact CB-CG1 3.7Å; L689-I694 HydrophobicContact CD1-CG1 4.16Å; L689-I697 HydrophobicContact CD1-CD1 4.29Å
690L88.3Confident87.1Confident107 Ų10746.8 Ų46.856%0.5627%0.273SS*.  trans-67.5146.8171.3-73.4146.1000109.5A692 E693 I694L690-A692 PolarHBondContact O-N 3.2Å; L690-A692 VanDerWaalsContact O-N 3.17Å; L690-E693 HydrophobicContact CB-CB 4.41Å; L690-E693 HydrophobicContact CB-CG 3.9Å; L690-E693 HydrophobicContact CD1-CG 4.38Å; L690-E693 PolarHBondContact N-OE2 2.89Å; L690-E693 WeakPolarHBondContact O-CA 3.38Å; L690-E693 WeakPolarHBondContact O-CB 3.28Å; L690-E693 PolarHBondContact O-N 3.3Å; L690-I694 PolarHBondContact O-N 2.96Å; L690-I694 VanDerWaalsContact O-N 3.1Å
691P88Confident87.1Confident90 Ų9042 Ų4258%0.58425%0.251SS*.Hα-helixtrans-52.2-40.8176.4-27.635000112.7E693 I694 D695P691-E693 VanDerWaalsContact C-N 3.3Å; P691-E693 PolarHBondContact O-N 3.24Å; P691-I694 PolarHBondContact O-N 2.86Å; P691-I694 VanDerWaalsContact O-N 3.16Å; P691-D695 WeakPolarHBondContact O-CB 3.28Å; P691-D695 PolarHBondContact O-N 3.2Å
692A89.1Confident86.8Confident44 Ų4442.9 Ų42.936%0.36426%0.258SS..Hα-helixtrans-63.8-29.9176.300000114.1L690 A696L690-A692 PolarHBondContact O-N 3.2Å; L690-A692 VanDerWaalsContact O-N 3.17Å; A692-A696 VanDerWaalsContact O-CB 3.32Å; A692-A696 WeakPolarHBondContact O-CB 3.48Å; A692-A696 PolarHBondContact O-N 3.31Å; A692-A696 VanDerWaalsContact O-N 3.12Å
693E90.8Very high86.4Confident9 Ų943.7 Ų43.74%0.04226%0.262CS..Hα-helixtrans-73.5-39.9174.3-64171.715400110.7N639 N642 L689 L690 P691 A696 I697N639-E693 HydrophobicContact CB-CG 4.45Å; N639-E693 WeakPolarHBondContact O-CG 3.41Å; N642-E693 WeakPolarHBondContact CB-OE1 3.34Å; L689-E693 WeakPolarHBondContact CA-OE2 3.05Å; L689-E693 HydrophobicContact CB-CB 4.48Å; L690-E693 HydrophobicContact CB-CB 4.41Å; L690-E693 HydrophobicContact CB-CG 3.9Å; L690-E693 HydrophobicContact CD1-CG 4.38Å; L690-E693 PolarHBondContact N-OE2 2.89Å; L690-E693 WeakPolarHBondContact O-CA 3.38Å; L690-E693 WeakPolarHBondContact O-CB 3.28Å; L690-E693 PolarHBondContact O-N 3.3Å; P691-E693 VanDerWaalsContact C-N 3.3Å; P691-E693 PolarHBondContact O-N 3.24Å; E693-A696 PolarHBondContact O-N 2.99Å; E693-I697 VanDerWaalsContact O-CG1 3.29Å; E693-I697 WeakPolarHBondContact O-CG1 3.38Å; E693-I697 PolarHBondContact O-N 3.39Å
694I89.4Confident85.7Confident16 Ų1643.5 Ų43.58%0.08225%0.254CS..Hα-helixtrans-65.9-45.5176.8-57.4172.5000110F678 Y679 I682 L689 L690 P691 A696 I697 I698F678-I694 HydrophobicContact CD1-CG2 4.31Å; F678-I694 HydrophobicContact CE1-CG2 3.87Å; Y679-I694 HydrophobicContact CD1-CD1 4.21Å; Y679-I694 HydrophobicContact CD1-CG2 3.77Å; Y679-I694 HydrophobicContact CE1-CB 4.03Å; Y679-I694 HydrophobicContact CE1-CD1 4.11Å; Y679-I694 HydrophobicContact CE1-CG2 3.31Å; I682-I694 HydrophobicContact CG2-CD1 4.15Å; L689-I694 HydrophobicContact CB-CD1 4.12Å; L689-I694 HydrophobicContact CB-CG1 3.7Å; L689-I694 HydrophobicContact CD1-CG1 4.16Å; L690-I694 PolarHBondContact O-N 2.96Å; L690-I694 VanDerWaalsContact O-N 3.1Å; P691-I694 PolarHBondContact O-N 2.86Å; P691-I694 VanDerWaalsContact O-N 3.16Å; I694-A696 VanDerWaalsContact C-N 3.28Å; I694-A696 PolarHBondContact O-N 2.81Å; I694-I697 PolarHBondContact O-N 3.36Å; I694-I697 VanDerWaalsContact O-N 3.11Å; I694-I698 HydrophobicContact CG2-CD1 3.82Å; I694-I698 HydrophobicContact CG2-CG1 4.31Å; I694-I698 WeakPolarHBondContact O-CG1 3.46Å; I694-I698 PolarHBondContact O-N 2.69Å
695D88.3Confident84.9Confident73 Ų7342.3 Ų42.339%0.3925%0.249SC..Hα-helixtrans-62.4-37178.4-63.4-12.6000111.4Y679 P691 I698 S699Y679-D695 PolarHBondContact OH-OD1 2.92Å; P691-D695 WeakPolarHBondContact O-CB 3.28Å; P691-D695 PolarHBondContact O-N 3.2Å; D695-I698 PolarHBondContact O-N 3.45Å; D695-S699 VanDerWaalsContact O-CB 3.28Å; D695-S699 WeakPolarHBondContact O-CB 3.37Å; D695-S699 PolarHBondContact O-N 3.05Å; D695-S699 PolarHBondContact O-OG 3.13Å
696A90Very high84.9Confident2 Ų241.6 Ų41.62%0.01725%0.251CS..Hα-helixtrans-66.5-38.4174.300000112.4W629 M636 N639 A692 E693 I694 R700W629-A696 WeakPolarHBondContact CH2-O 3.45Å; M636-A696 WeakPolarHBondContact O-CB 3.34Å; N639-A696 HydrophobicContact CB-CB 3.93Å; A692-A696 VanDerWaalsContact O-CB 3.32Å; A692-A696 WeakPolarHBondContact O-CB 3.48Å; A692-A696 PolarHBondContact O-N 3.31Å; A692-A696 VanDerWaalsContact O-N 3.12Å; E693-A696 PolarHBondContact O-N 2.99Å; I694-A696 VanDerWaalsContact C-N 3.28Å; I694-A696 PolarHBondContact O-N 2.81Å; A696-R700 PolarHBondContact O-N 2.91Å
697I89.7Confident85.1Confident0 Ų039.8 Ų39.80%023%0.232CC..Hα-helixtrans-68.1-45.4174.7-66.2163.4000110.8Y640 L647 F678 L689 E693 I694 S699 R700 Y701 F707 F712Y640-I697 HydrophobicContact CD2-CG1 4.11Å; Y640-I697 HydrophobicContact CE2-CG1 4.48Å; L647-I697 HydrophobicContact CD1-CD1 3.68Å; F678-I697 HydrophobicContact CE1-CG2 4.06Å; F678-I697 HydrophobicContact CZ-CB 4.45Å; F678-I697 HydrophobicContact CZ-CG2 3.66Å; L689-I697 HydrophobicContact CD1-CD1 4.29Å; E693-I697 VanDerWaalsContact O-CG1 3.29Å; E693-I697 WeakPolarHBondContact O-CG1 3.38Å; E693-I697 PolarHBondContact O-N 3.39Å; I694-I697 PolarHBondContact O-N 3.36Å; I694-I697 VanDerWaalsContact O-N 3.11Å; I697-S699 VanDerWaalsContact C-N 3.33Å; I697-S699 PolarHBondContact O-N 3Å; I697-R700 PolarHBondContact O-N 3.4Å; I697-Y701 HydrophobicContact CG2-CD2 3.92Å; I697-Y701 HydrophobicContact CG2-CE2 4.18Å; I697-Y701 VanDerWaalsContact O-CD2 3.3Å; I697-Y701 WeakPolarHBondContact O-CD2 3.28Å; I697-Y701 PolarHBondContact O-N 3.27Å; I697-F707 HydrophobicContact CG2-CE2 3.98Å; I697-F707 HydrophobicContact CG2-CZ 3.97Å; I697-F712 HydrophobicContact CG2-CD2 3.89Å; I697-F712 HydrophobicContact CG2-CE2 3.75Å
698I88.2Confident85.4Confident21 Ų2141.6 Ų41.611%0.10824%0.243CC..Hα-helixtrans-59.6-46.1176.3-69.4171.7000110T675 F678 Y679 I694 D695 R700 Y701 A702 F707T675-I698 HydrophobicContact CG2-CG2 3.81Å; F678-I698 HydrophobicContact CD1-CD1 3.99Å; F678-I698 HydrophobicContact CD1-CG1 3.64Å; F678-I698 HydrophobicContact CE1-CD1 4.38Å; F678-I698 HydrophobicContact CE1-CG1 3.81Å; Y679-I698 HydrophobicContact CD2-CD1 4.08Å; Y679-I698 HydrophobicContact CE1-CD1 4.38Å; Y679-I698 HydrophobicContact CE2-CD1 3.32Å; Y679-I698 VanDerWaalsContact CZ-CD1 3.48Å; Y679-I698 WeakPolarHBondContact OH-CD1 3.38Å; I694-I698 HydrophobicContact CG2-CD1 3.82Å; I694-I698 HydrophobicContact CG2-CG1 4.31Å; I694-I698 WeakPolarHBondContact O-CG1 3.46Å; I694-I698 PolarHBondContact O-N 2.69Å; D695-I698 PolarHBondContact O-N 3.45Å; I698-R700 PolarHBondContact O-N 3.02Å; I698-R700 VanDerWaalsContact O-N 3.16Å; I698-Y701 PolarHBondContact O-N 2.8Å; I698-A702 HydrophobicContact CG2-CB 3.89Å; I698-A702 WeakPolarHBondContact O-CA 3.25Å; I698-A702 WeakPolarHBondContact O-CB 3.4Å; I698-A702 PolarHBondContact O-N 3.14Å; I698-F707 HydrophobicContact CG1-CD2 4.34Å; I698-F707 HydrophobicContact CG1-CE2 4.41Å
699S85.9Confident85.8Confident39 Ų3937.3 Ų37.327%0.27321%0.212SC..Hα-helixtrans-59.1-29.8180-61.30000113.2A627 D695 I697A627-S699 WeakPolarHBondContact CB-O 3.02Å; D695-S699 VanDerWaalsContact O-CB 3.28Å; D695-S699 WeakPolarHBondContact O-CB 3.37Å; D695-S699 PolarHBondContact O-N 3.05Å; D695-S699 PolarHBondContact O-OG 3.13Å; I697-S699 VanDerWaalsContact C-N 3.33Å; I697-S699 PolarHBondContact O-N 3Å
700R85.4Confident85.9Confident68 Ų6840.2 Ų40.226%0.25723%0.227SC..Hα-helixtrans-81-36.9179.6-171.6176.7170.6155.7-7.5113.5W629 Y640 A696 I697 I698W629-R700 HydrophobicContact CD2-CB 4.16Å; W629-R700 HydrophobicContact CD2-CG 3.95Å; W629-R700 HydrophobicContact CE3-CB 3.75Å; W629-R700 HydrophobicContact CE3-CG 4.02Å; W629-R700 HydrophobicContact CG-CG 4.33Å; W629-R700 HydrophobicContact CH2-CB 4.14Å; W629-R700 HydrophobicContact CZ3-CB 3.74Å; W629-R700 HydrophobicContact CZ3-CG 4.44Å; Y640-R700 HydrophobicContact CD2-CB 4.41Å; Y640-R700 HydrophobicContact CE2-CB 4.29Å; Y640-R700 HydrophobicContact CE2-CG 4.39Å; Y640-R700 VanDerWaalsContact CZ-CD 3.44Å; Y640-R700 PolarHBondContact OH-NE 2.77Å; Y640-R700 PolarHBondContact OH-NH1 3.44Å; A696-R700 PolarHBondContact O-N 2.91Å; I697-R700 PolarHBondContact O-N 3.4Å; I698-R700 PolarHBondContact O-N 3.02Å; I698-R700 VanDerWaalsContact O-N 3.16Å
701Y86.9Confident85.8Confident7 Ų738 Ų383%0.02722%0.216CC..Hα-helixtrans-110.5-10.5-170.8-60.9-66000114.6Y640 I697 I698 F707 N708 D711 F712 H715Y640-Y701 AromaticContact CE2-CE2 3.89Å; Y640-Y701 HydrophobicContact CE2-CE2 3.89Å; Y640-Y701 PolarHBondContact OH-OH 2.83Å; I697-Y701 HydrophobicContact CG2-CD2 3.92Å; I697-Y701 HydrophobicContact CG2-CE2 4.18Å; I697-Y701 VanDerWaalsContact O-CD2 3.3Å; I697-Y701 WeakPolarHBondContact O-CD2 3.28Å; I697-Y701 PolarHBondContact O-N 3.27Å; I698-Y701 PolarHBondContact O-N 2.8Å; Y701-F707 HydrophobicContact CD2-CE2 4.07Å; Y701-F707 HydrophobicContact CD2-CZ 4.04Å; Y701-F707 HydrophobicContact CG-CE2 4.29Å; Y701-F707 HydrophobicContact CG-CZ 4.34Å; Y701-N708 WeakPolarHBondContact O-CB 3.44Å; Y701-N708 PolarHBondContact O-N 2.8Å; Y701-D711 HydrophobicContact CD1-CB 4.15Å; Y701-D711 WeakPolarHBondContact CD1-OD2 3.3Å; Y701-D711 HydrophobicContact CE1-CB 4.36Å; Y701-D711 WeakPolarHBondContact CE1-OD2 3.33Å; Y701-F712 HydrophobicContact CD1-CB 4.24Å; Y701-F712 HydrophobicContact CD2-CB 3.87Å; Y701-F712 AromaticContact CD2-CD2 3.82Å; Y701-F712 HydrophobicContact CD2-CD2 3.82Å; Y701-F712 HydrophobicContact CD2-CG 4.3Å; Y701-F712 HydrophobicContact CE1-CB 4.41Å; Y701-F712 HydrophobicContact CE2-CB 4.02Å; Y701-F712 AromaticContact CE2-CD2 3.56Å; Y701-F712 HydrophobicContact CE2-CD2 3.56Å; Y701-F712 HydrophobicContact CE2-CG 4.28Å; Y701-F712 HydrophobicContact CG-CB 3.97Å; Y701-H715 AromaticContact CE1-ND1 3.31Å; Y701-H715 VanDerWaalsContact CE1-ND1 3.31Å; Y701-H715 WeakPolarHBondContact CE1-ND1 3.5Å; Y701-H715 AromaticContact CZ-ND1 3.61Å; Y701-H715 WeakPolarHBondContact OH-CB 3.5Å; Y701-H715 PolarHBondContact OH-ND1 3.41Å
702A84.2Confident85.9Confident18 Ų1833.8 Ų33.815%0.14919%0.188CC..EExtended strand (participates in β ladder)trans-80.8140.7174.900000111.5I698 G706I698-A702 HydrophobicContact CG2-CB 3.89Å; I698-A702 WeakPolarHBondContact O-CA 3.25Å; I698-A702 WeakPolarHBondContact O-CB 3.4Å; I698-A702 PolarHBondContact O-N 3.14Å; A702-G706 CarbonylContact C-O 3.2Å; A702-G706 VanDerWaalsContact CA-O 3.28Å; A702-G706 WeakPolarHBondContact CA-O 3.5Å
703N78.6Confident85.9Confident23 Ų2332.4 Ų32.412%0.12317%0.174CC..EExtended strand (participates in β ladder)trans-126.7-178.1166.758.427.5000108.9K623 D705 G706K623-N703 HydrophobicContact CB-CB 4.49Å; N703-D705 PolarHBondContact O-N 3.23Å; N703-D705 VanDerWaalsContact O-N 3.11Å; N703-D705 WeakPolarHBondContact OD1-CA 3.4Å; N703-D705 VanDerWaalsContact OD1-CB 3.28Å; N703-D705 WeakPolarHBondContact OD1-CB 3.39Å; N703-D705 PolarHBondContact OD1-N 2.86Å; N703-G706 PolarHBondContact N-O 3.32Å; N703-G706 PolarHBondContact O-N 2.72Å; N703-G706 PolarHBondContact OD1-N 3.42Å; N703-G706 PolarHBondContact OD1-O 2.68Å
704D72.9Confident85.6Confident91 Ų9136.5 Ų36.549%0.48720%0.197SC..THydrogen-bonded Turntrans-61-20.9179.4-71.4-21.1000113L563 P624 G625L563-D704 HydrophobicContact CD1-CB 4.15Å; P624-D704 VanDerWaalsContact C-CG 3.41Å; P624-D704 HydrophobicContact CB-CB 4.47Å; P624-D704 WeakPolarHBondContact CB-OD2 3.29Å; P624-D704 WeakPolarHBondContact O-CB 3.44Å; P624-D704 PolarHBondContact O-N 3.15Å; G625-D704 VanDerWaalsContact CA-CG 3.48Å; G625-D704 WeakPolarHBondContact CA-OD1 3.44Å; G625-D704 PolarHBondContact N-OD2 2.9Å; G625-D704 VanDerWaalsContact N-OD2 3.15Å
705D71.4Confident85.4Confident80 Ų8039 Ų3943%0.42821%0.208SC..THydrogen-bonded Turntrans-82.2-21.9175.5-62.8-35.6000112.9K623 I672 N703K623-D705 IonicContact NZ-OD2 3.8Å; K623-D705 PolarHBondContact NZ-OD2 3.36Å; I672-D705 HydrophobicContact CD1-CB 3.69Å; I672-D705 HydrophobicContact CG2-CB 4.48Å; N703-D705 PolarHBondContact O-N 3.23Å; N703-D705 VanDerWaalsContact O-N 3.11Å; N703-D705 WeakPolarHBondContact OD1-CA 3.4Å; N703-D705 VanDerWaalsContact OD1-CB 3.28Å; N703-D705 WeakPolarHBondContact OD1-CB 3.39Å; N703-D705 PolarHBondContact OD1-N 2.86Å
706G83.7Confident85.3Confident13 Ų1335.9 Ų35.913%0.13419%0.191CC..EExtended strand (participates in β ladder)trans135.6-163.3-17700000114.4A702 N703A702-G706 CarbonylContact C-O 3.2Å; A702-G706 VanDerWaalsContact CA-O 3.28Å; A702-G706 WeakPolarHBondContact CA-O 3.5Å; N703-G706 PolarHBondContact N-O 3.32Å; N703-G706 PolarHBondContact O-N 2.72Å; N703-G706 PolarHBondContact OD1-N 3.42Å; N703-G706 PolarHBondContact OD1-O 2.68Å
707F88.6Confident84.8Confident0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-85.6117-179.7-175.6-93.7000111.7F662 I672 V673 F678 I697 I698 Y701 Y709 F712F662-F707 HydrophobicContact CE1-CE1 4.27Å; I672-F707 WeakPolarHBondContact CA-O 3.23Å; V673-F707 PolarHBondContact N-O 2.84Å; V673-F707 WeakPolarHBondContact O-CA 3.09Å; V673-F707 VanDerWaalsContact O-CB 3.28Å; V673-F707 WeakPolarHBondContact O-CB 3.2Å; V673-F707 PolarHBondContact O-N 3.18Å; F678-F707 HydrophobicContact CB-CD1 4.25Å; F678-F707 HydrophobicContact CB-CG 4.3Å; F678-F707 HydrophobicContact CD1-CD2 4.4Å; F678-F707 HydrophobicContact CD1-CE2 4.17Å; F678-F707 HydrophobicContact CD1-CZ 4.32Å; F678-F707 AromaticContact CD2-CD1 3.95Å; F678-F707 HydrophobicContact CD2-CD1 3.95Å; F678-F707 AromaticContact CD2-CE1 3.5Å; F678-F707 HydrophobicContact CD2-CE1 3.5Å; F678-F707 HydrophobicContact CD2-CE2 4.33Å; F678-F707 AromaticContact CD2-CZ 3.71Å; F678-F707 HydrophobicContact CD2-CZ 3.71Å; F678-F707 HydrophobicContact CE1-CE2 4.09Å; F678-F707 HydrophobicContact CE1-CZ 4.14Å; F678-F707 AromaticContact CE2-CE1 3.69Å; F678-F707 HydrophobicContact CE2-CE1 3.69Å; F678-F707 HydrophobicContact CE2-CE2 4.27Å; F678-F707 AromaticContact CE2-CZ 3.52Å; F678-F707 HydrophobicContact CE2-CZ 3.52Å; F678-F707 HydrophobicContact CG-CD1 4.13Å; F678-F707 HydrophobicContact CG-CD2 4.37Å; F678-F707 HydrophobicContact CG-CE1 4.05Å; F678-F707 HydrophobicContact CG-CE2 4.27Å; F678-F707 HydrophobicContact CG-CG 4.3Å; F678-F707 HydrophobicContact CG-CZ 4.12Å; F678-F707 HydrophobicContact CZ-CE1 4.37Å; F678-F707 HydrophobicContact CZ-CE2 4.16Å; F678-F707 AromaticContact CZ-CZ 3.75Å; F678-F707 HydrophobicContact CZ-CZ 3.75Å; I697-F707 HydrophobicContact CG2-CE2 3.98Å; I697-F707 HydrophobicContact CG2-CZ 3.97Å; I698-F707 HydrophobicContact CG1-CD2 4.34Å; I698-F707 HydrophobicContact CG1-CE2 4.41Å; Y701-F707 HydrophobicContact CD2-CE2 4.07Å; Y701-F707 HydrophobicContact CD2-CZ 4.04Å; Y701-F707 HydrophobicContact CG-CE2 4.29Å; Y701-F707 HydrophobicContact CG-CZ 4.34Å; F707-Y709 PolarHBondContact O-N 2.91Å; F707-Y709 VanDerWaalsContact O-N 3.08Å; F707-F712 HydrophobicContact CE1-CB 3.84Å; F707-F712 HydrophobicContact CE1-CD1 4.02Å; F707-F712 AromaticContact CE1-CG 3.89Å; F707-F712 HydrophobicContact CE1-CG 3.89Å; F707-F712 HydrophobicContact CZ-CB 3.83Å; F707-F712 HydrophobicContact CZ-CD1 4.2Å; F707-F712 AromaticContact CZ-CD2 3.96Å; F707-F712 HydrophobicContact CZ-CD2 3.96Å; F707-F712 AromaticContact CZ-CG 3.73Å; F707-F712 HydrophobicContact CZ-CG 3.73Å
708N88.7Confident83.9Confident48 Ų4843.4 Ų43.426%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-75.993.7176.6-175.4-14.7000111G671 Y701 L710 D711 F712G671-N708 PolarHBondContact O-OD1 3.39Å; Y701-N708 WeakPolarHBondContact O-CB 3.44Å; Y701-N708 PolarHBondContact O-N 2.8Å; N708-L710 PolarHBondContact OD1-N 2.73Å; N708-D711 PolarHBondContact OD1-N 2.87Å; N708-D711 VanDerWaalsContact OD1-N 3.1Å; N708-F712 PolarHBondContact O-N 2.88Å
709Y89.3Confident82.8Confident13 Ų1345.9 Ų45.95%0.05126%0.258CS..Hα-helixtrans-73.3-26.7-178.372.4-93000112.9F662 D666 G671 V673 F707 F712 L713F662-Y709 HydrophobicContact CB-CD1 4.32Å; F662-Y709 HydrophobicContact CB-CD2 3.4Å; F662-Y709 VanDerWaalsContact CB-CD2 3.4Å; F662-Y709 HydrophobicContact CB-CE2 3.79Å; F662-Y709 HydrophobicContact CB-CG 3.71Å; F662-Y709 HydrophobicContact CD1-CD1 4.3Å; F662-Y709 HydrophobicContact CD1-CD2 4.14Å; F662-Y709 AromaticContact CD1-CG 3.66Å; F662-Y709 HydrophobicContact CD1-CG 3.66Å; F662-Y709 HydrophobicContact CE1-CG 4.49Å; F662-Y709 AromaticContact CG-CD2 3.86Å; F662-Y709 HydrophobicContact CG-CD2 3.86Å; F662-Y709 AromaticContact CG-CG 3.88Å; F662-Y709 HydrophobicContact CG-CG 3.88Å; D666-Y709 HydrophobicContact CB-CE1 3.75Å; D666-Y709 WeakPolarHBondContact OD2-CE1 3.35Å; D666-Y709 PolarHBondContact OD2-OH 3.46Å; G671-Y709 VanDerWaalsContact O-CD1 3.25Å; G671-Y709 WeakPolarHBondContact O-CD1 3.41Å; G671-Y709 WeakPolarHBondContact O-CE1 3.29Å; G671-Y709 PolarHBondContact O-N 3.27Å; V673-Y709 HydrophobicContact CB-CD1 4.21Å; V673-Y709 HydrophobicContact CG2-CD1 3.48Å; V673-Y709 VanDerWaalsContact CG2-CD1 3.48Å; V673-Y709 HydrophobicContact CG2-CE1 3.81Å; V673-Y709 HydrophobicContact CG2-CG 4.36Å; F707-Y709 PolarHBondContact O-N 2.91Å; F707-Y709 VanDerWaalsContact O-N 3.08Å; Y709-F712 PolarHBondContact O-N 3.3Å; Y709-L713 HydrophobicContact CD2-CD1 3.92Å; Y709-L713 WeakPolarHBondContact O-CB 3.44Å; Y709-L713 WeakPolarHBondContact O-CG 3.18Å; Y709-L713 PolarHBondContact O-N 3.41Å
710L86.6Confident81.8Confident82 Ų8250.9 Ų50.943%0.42928%0.275SS..Hα-helixtrans-65-44.9179.3-68.5176.4000111.2N708 L713 N714N708-L710 PolarHBondContact OD1-N 2.73Å; L710-L713 PolarHBondContact O-N 2.85Å; L710-N714 WeakPolarHBondContact O-CB 3.48Å; L710-N714 VanDerWaalsContact O-CG 3.28Å; L710-N714 PolarHBondContact O-N 3.5Å; L710-N714 PolarHBondContact O-ND2 2.75Å
711D85.8Confident80.6Confident62 Ų6255.1 Ų55.133%0.33230%0.302SS..Hα-helixtrans-69-38.1176.8-167.743.4000111.8Y701 N708 N714 H715Y701-D711 HydrophobicContact CD1-CB 4.15Å; Y701-D711 WeakPolarHBondContact CD1-OD2 3.3Å; Y701-D711 HydrophobicContact CE1-CB 4.36Å; Y701-D711 WeakPolarHBondContact CE1-OD2 3.33Å; N708-D711 PolarHBondContact OD1-N 2.87Å; N708-D711 VanDerWaalsContact OD1-N 3.1Å; D711-N714 PolarHBondContact O-N 3.39Å; D711-H715 PolarHBondContact O-N 2.78Å; D711-H715 VanDerWaalsContact O-N 3.12Å; D711-H715 PolarHBondContact O-ND1 3.34Å; D711-H715 VanDerWaalsContact O-ND1 3.09Å; D711-H715 IonicContact OD1-CE1 2.65Å; D711-H715 PolarHBondContact OD1-CE1 2.95Å; D711-H715 VanDerWaalsContact OD1-CE1 3.27Å; D711-H715 IonicContact OD1-ND1 2.79Å; D711-H715 IonicContact OD2-CE1 3.24Å; D711-H715 IonicContact OD2-ND1 3.74Å
712F90.2Very high79.2Confident1 Ų161.8 Ų61.80%0.00433%0.333CS..Hα-helixtrans-58.6-47.7171.4168.1-107.4000112.2M644 L647 F662 F678 I697 Y701 F707 N708 Y709 H715 L716M644-F712 HydrophobicContact SD-CD2 4.27Å; M644-F712 HydrophobicContact SD-CE2 3.83Å; L647-F712 HydrophobicContact CD1-CE2 4.02Å; L647-F712 HydrophobicContact CD1-CZ 3.87Å; F662-F712 HydrophobicContact CE2-CD1 4.35Å; F662-F712 HydrophobicContact CE2-CE1 4.08Å; F662-F712 AromaticContact CZ-CD1 3.99Å; F662-F712 HydrophobicContact CZ-CD1 3.99Å; F662-F712 AromaticContact CZ-CE1 3.81Å; F662-F712 HydrophobicContact CZ-CE1 3.81Å; F678-F712 HydrophobicContact CE2-CD1 4.49Å; F678-F712 HydrophobicContact CE2-CE1 4.03Å; F678-F712 HydrophobicContact CE2-CE2 4.48Å; F678-F712 HydrophobicContact CE2-CZ 4.01Å; F678-F712 HydrophobicContact CZ-CZ 4.36Å; I697-F712 HydrophobicContact CG2-CD2 3.89Å; I697-F712 HydrophobicContact CG2-CE2 3.75Å; Y701-F712 HydrophobicContact CD1-CB 4.24Å; Y701-F712 HydrophobicContact CD2-CB 3.87Å; Y701-F712 AromaticContact CD2-CD2 3.82Å; Y701-F712 HydrophobicContact CD2-CD2 3.82Å; Y701-F712 HydrophobicContact CD2-CG 4.3Å; Y701-F712 HydrophobicContact CE1-CB 4.41Å; Y701-F712 HydrophobicContact CE2-CB 4.02Å; Y701-F712 AromaticContact CE2-CD2 3.56Å; Y701-F712 HydrophobicContact CE2-CD2 3.56Å; Y701-F712 HydrophobicContact CE2-CG 4.28Å; Y701-F712 HydrophobicContact CG-CB 3.97Å; F707-F712 HydrophobicContact CE1-CB 3.84Å; F707-F712 HydrophobicContact CE1-CD1 4.02Å; F707-F712 AromaticContact CE1-CG 3.89Å; F707-F712 HydrophobicContact CE1-CG 3.89Å; F707-F712 HydrophobicContact CZ-CB 3.83Å; F707-F712 HydrophobicContact CZ-CD1 4.2Å; F707-F712 AromaticContact CZ-CD2 3.96Å; F707-F712 HydrophobicContact CZ-CD2 3.96Å; F707-F712 AromaticContact CZ-CG 3.73Å; F707-F712 HydrophobicContact CZ-CG 3.73Å; N708-F712 PolarHBondContact O-N 2.88Å; Y709-F712 PolarHBondContact O-N 3.3Å; F712-H715 PolarHBondContact O-N 3.5Å; F712-L716 HydrophobicContact CE1-CD2 4.11Å; F712-L716 HydrophobicContact CZ-CD2 3.99Å; F712-L716 VanDerWaalsContact O-CB 3.3Å; F712-L716 WeakPolarHBondContact O-CB 3.48Å; F712-L716 PolarHBondContact O-N 3.35Å
713L88.5Confident78Confident14 Ų1467.7 Ų67.77%0.07336%0.358CS..Hα-helixtrans-68.4-37.6-179.9-70.2-178.4000112.3L658 F662 Y709 L710 H715 L716 C717L658-L713 HydrophobicContact CB-CD2 3.64Å; L658-L713 HydrophobicContact CD1-CD2 3.87Å; L658-L713 HydrophobicContact CG-CD2 4.33Å; F662-L713 HydrophobicContact CD2-CD1 4.11Å; F662-L713 HydrophobicContact CD2-CD2 4.15Å; F662-L713 HydrophobicContact CD2-CG 4.39Å; F662-L713 HydrophobicContact CE2-CD2 4.03Å; Y709-L713 HydrophobicContact CD2-CD1 3.92Å; Y709-L713 WeakPolarHBondContact O-CB 3.44Å; Y709-L713 WeakPolarHBondContact O-CG 3.18Å; Y709-L713 PolarHBondContact O-N 3.41Å; L710-L713 PolarHBondContact O-N 2.85Å; L713-H715 VanDerWaalsContact C-N 3.32Å; L713-H715 PolarHBondContact O-N 3.18Å; L713-L716 HydrophobicContact CD2-CD2 4.45Å; L713-L716 PolarHBondContact O-N 2.82Å; L713-C717 WeakPolarHBondContact O-CA 3.3Å; L713-C717 PolarHBondContact O-N 2.78Å
714N85.8Confident77Confident95 Ų9572.4 Ų72.451%0.50838%0.383SS..Hα-helixtrans-61.7-38.8174.4-77.4-25.6000112.2L710 D711 C717 P718L710-N714 WeakPolarHBondContact O-CB 3.48Å; L710-N714 VanDerWaalsContact O-CG 3.28Å; L710-N714 PolarHBondContact O-N 3.5Å; L710-N714 PolarHBondContact O-ND2 2.75Å; D711-N714 PolarHBondContact O-N 3.39Å; N714-C717 CarbonylContact O-C 3.5Å; N714-P718 WeakPolarHBondContact O-CA 3.5Å
715H85.2Confident76.6Confident70 Ų7074 Ų7432%0.32439%0.387SS..Hα-helixtrans-78.3-25.1175.8-70.8132.9000114M644 R648 Y701 D711 F712 L713M644-H715 HydrophobicContact CE-CB 4.25Å; R648-H715 PolarHBondContact NH2-O 3.14Å; Y701-H715 AromaticContact CE1-ND1 3.31Å; Y701-H715 VanDerWaalsContact CE1-ND1 3.31Å; Y701-H715 WeakPolarHBondContact CE1-ND1 3.5Å; Y701-H715 AromaticContact CZ-ND1 3.61Å; Y701-H715 WeakPolarHBondContact OH-CB 3.5Å; Y701-H715 PolarHBondContact OH-ND1 3.41Å; D711-H715 PolarHBondContact O-N 2.78Å; D711-H715 VanDerWaalsContact O-N 3.12Å; D711-H715 PolarHBondContact O-ND1 3.34Å; D711-H715 VanDerWaalsContact O-ND1 3.09Å; D711-H715 IonicContact OD1-CE1 2.65Å; D711-H715 PolarHBondContact OD1-CE1 2.95Å; D711-H715 VanDerWaalsContact OD1-CE1 3.27Å; D711-H715 IonicContact OD1-ND1 2.79Å; D711-H715 IonicContact OD2-CE1 3.24Å; D711-H715 IonicContact OD2-ND1 3.74Å; F712-H715 PolarHBondContact O-N 3.5Å; L713-H715 VanDerWaalsContact C-N 3.32Å; L713-H715 PolarHBondContact O-N 3.18Å
716L86.2Confident76.5Confident7 Ų778.8 Ų78.84%0.03740%0.401CS..Hα-helixtrans-79.5-44.8176.7-170.469.5000111.4M644 L647 R648 V651 L658 F712 L713M644-L716 HydrophobicContact CE-CB 4.06Å; M644-L716 HydrophobicContact CE-CD1 3.81Å; M644-L716 HydrophobicContact SD-CD1 4.24Å; L647-L716 HydrophobicContact CB-CD1 3.54Å; R648-L716 HydrophobicContact CG-CD1 3.77Å; V651-L716 HydrophobicContact CG2-CD2 4.05Å; L658-L716 HydrophobicContact CD1-CD2 3.47Å; L658-L716 VanDerWaalsContact CD1-CD2 3.47Å; F712-L716 HydrophobicContact CE1-CD2 4.11Å; F712-L716 HydrophobicContact CZ-CD2 3.99Å; F712-L716 VanDerWaalsContact O-CB 3.3Å; F712-L716 WeakPolarHBondContact O-CB 3.48Å; F712-L716 PolarHBondContact O-N 3.35Å; L713-L716 HydrophobicContact CD2-CD2 4.45Å; L713-L716 PolarHBondContact O-N 2.82Å
717C78.7Confident76.2Confident65 Ų6582.4 Ų82.444%0.43941%0.413SS..SBendtrans-128.879.4-177.9-66.90000109.8L713 N714L713-C717 WeakPolarHBondContact O-CA 3.3Å; L713-C717 PolarHBondContact O-N 2.78Å; N714-C717 CarbonylContact O-C 3.5Å
718P71.4Confident75.6Confident94 Ų9489.1 Ų89.161%0.6144%0.439SS*.PPolyproline II helixtrans-61.3133.6175.924.9-32.9000109.8N714 K720N714-P718 WeakPolarHBondContact O-CA 3.5Å; P718-K720 PolarHBondContact O-N 3.32Å
719P64.6Low75.4Confident74 Ų7490.2 Ų90.248%0.48145%0.449SS..PPolyproline II helixtrans-58.5137.117723.7-32.4000109.7L721P719-L721 PolarHBondContact O-N 3.33Å
720K65.6Low75.1Confident144 Ų14495.9 Ų95.963%0.62648%0.476SS*.PPolyproline II helixtrans-60.3130.7178.9-68.5176.5-177.5171.10108.8P718 E722 E723P718-K720 PolarHBondContact O-N 3.32Å; K720-E722 PolarHBondContact O-N 2.95Å; K720-E723 PolarHBondContact O-N 3.04Å
721L59.2Low74.8Confident156 Ų156100.7 Ų100.782%0.81749%0.488SS*.G310 helixtrans-51.8-30.6179.1-75.4164.5000113P719 E723 N724P719-L721 PolarHBondContact O-N 3.33Å; L721-E723 VanDerWaalsContact C-N 3.3Å; L721-E723 PolarHBondContact O-N 3.47Å; L721-N724 PolarHBondContact O-N 2.78Å
722E59Low74.7Confident148 Ų148101.4 Ų101.469%0.69249%0.492SS*.G310 helixtrans-65.1-25.5178.7-63.4179.8-179.700114.5K720 N724K720-E722 PolarHBondContact O-N 2.95Å; E722-N724 VanDerWaalsContact C-N 3.34Å
723E57.4Low74.4Confident142 Ų142104.2 Ų104.266%0.66452%0.515SS*.G310 helixtrans-79.1-20.9-180-70.7172.7-172.500112.1K720 L721K720-E723 PolarHBondContact O-N 3.04Å; L721-E723 VanDerWaalsContact C-N 3.3Å; L721-E723 PolarHBondContact O-N 3.47Å
724N59.2Low74.1Confident121 Ų121107.5 Ų107.565%0.64754%0.536SS*.G310 helixtrans-91.2-2.3179.9-71-29.8000113.9L721 E722 Y726L721-N724 PolarHBondContact O-N 2.78Å; E722-N724 VanDerWaalsContact C-N 3.34Å; N724-Y726 PolarHBondContact O-N 3.16Å
725E62.9Low73.7Confident125 Ų125106 Ų10658%0.58453%0.533SS*.  trans-74.7117175.7-80.3-172.7161.300112K727E725-K727 HydrophobicContact CB-CG 4.38Å; E725-K727 PolarHBondContact O-N 3.35Å; E725-K727 WeakPolarHBondContact OE2-CE 3.24Å; E725-K727 IonicContact OE2-NZ 3.59Å
726Y69.5Low73.4Confident181 Ų181109.2 Ų109.271%0.7155%0.548SS*.  trans-7284.1176.2-175.8-107.5000112.3N724 Y728 P729N724-Y726 PolarHBondContact O-N 3.16Å; Y726-Y728 VanDerWaalsContact C-N 3.32Å; Y726-Y728 PolarHBondContact O-N 2.99Å; Y726-Y728 WeakPolarHBondContact OH-CD1 3.31Å; Y726-P729 HydrophobicContact CD1-CG 4.38Å; Y726-P729 HydrophobicContact CE1-CG 4.37Å; Y726-P729 WeakPolarHBondContact O-CD 3.35Å
727K78.1Confident73.1Confident89 Ų89118 Ų11839%0.38758%0.581SS.*  trans-79.74.9-176.3-63-174.2-177.5-178.30116.3E725 P729 E730 R731E725-K727 HydrophobicContact CB-CG 4.38Å; E725-K727 PolarHBondContact O-N 3.35Å; E725-K727 WeakPolarHBondContact OE2-CE 3.24Å; E725-K727 IonicContact OE2-NZ 3.59Å; K727-P729 VanDerWaalsContact C-CD 3.44Å; K727-E730 PolarHBondContact O-N 3.37Å; K727-R731 PolarHBondContact O-N 3.1Å
728Y76.6Confident73.1Confident140 Ų140119.9 Ų119.955%0.54959%0.585SS.*Hα-helixtrans-57.5-43.3-176.5-175.9-109000115Y726 E730 R731 L732Y726-Y728 VanDerWaalsContact C-N 3.32Å; Y726-Y728 PolarHBondContact O-N 2.99Å; Y726-Y728 WeakPolarHBondContact OH-CD1 3.31Å; Y728-E730 PolarHBondContact O-N 3.43Å; Y728-R731 PolarHBondContact O-N 3.41Å; Y728-L732 HydrophobicContact CD1-CD1 3.92Å; Y728-L732 HydrophobicContact CE1-CD1 3.38Å; Y728-L732 HydrophobicContact CE1-CG 4.36Å; Y728-L732 HydrophobicContact CE2-CD1 4.44Å; Y728-L732 PolarHBondContact O-N 2.95Å
729P83.7Confident73.3Confident72 Ų72120.1 Ų120.147%0.46858%0.581SS.*Hα-helixtrans-66.5-34.7-178.96.8-3.2000113.2Y726 K727 L732 A733Y726-P729 HydrophobicContact CD1-CG 4.38Å; Y726-P729 HydrophobicContact CE1-CG 4.37Å; Y726-P729 WeakPolarHBondContact O-CD 3.35Å; K727-P729 VanDerWaalsContact C-CD 3.44Å; P729-L732 PolarHBondContact O-N 3.46Å; P729-A733 PolarHBondContact O-N 3.09Å; P729-A733 VanDerWaalsContact O-N 3.16Å
730E83Confident73.6Confident131 Ų131123.6 Ų123.661%0.61259%0.589SS**Hα-helixtrans-67.2-37.8178.9-60.8-177.9164.500112.2K727 Y728 A733 T734K727-E730 PolarHBondContact O-N 3.37Å; Y728-E730 PolarHBondContact O-N 3.43Å; E730-A733 PolarHBondContact O-N 3.08Å; E730-T734 PolarHBondContact O-N 3.37Å; E730-T734 VanDerWaalsContact O-N 3.09Å; E730-T734 PolarHBondContact O-OG1 3.12Å
731R81.2Confident73.6Confident184 Ų184121.2 Ų121.269%0.69458%0.583SS**Hα-helixtrans-65.8-40176.4-66.9-174.2-172.2-1694.5111.8K727 Y728 T734 S735K727-R731 PolarHBondContact O-N 3.1Å; Y728-R731 PolarHBondContact O-N 3.41Å; R731-T734 PolarHBondContact O-N 2.96Å; R731-S735 PolarHBondContact O-N 3.49Å; R731-S735 VanDerWaalsContact O-N 3.07Å
732L81.8Confident73.6Confident77 Ų77116.8 Ų116.840%0.40356%0.564SS.*Hα-helixtrans-61.4-46.2175.2-85.3165000111.8Y728 P729 T734 S735 Q736Y728-L732 HydrophobicContact CD1-CD1 3.92Å; Y728-L732 HydrophobicContact CE1-CD1 3.38Å; Y728-L732 HydrophobicContact CE1-CG 4.36Å; Y728-L732 HydrophobicContact CE2-CD1 4.44Å; Y728-L732 PolarHBondContact O-N 2.95Å; P729-L732 PolarHBondContact O-N 3.46Å; L732-T734 VanDerWaalsContact C-N 3.3Å; L732-T734 PolarHBondContact O-N 3.45Å; L732-S735 PolarHBondContact O-N 2.62Å; L732-Q736 WeakPolarHBondContact O-CG 3.37Å; L732-Q736 PolarHBondContact O-N 3.05Å; L732-Q736 VanDerWaalsContact O-N 3.12Å
733A84.4Confident73.6Confident59 Ų59117.5 Ų117.549%0.48857%0.565SS.*Hα-helixtrans-60.6-39.7177.500000112.2P729 E730 R737P729-A733 PolarHBondContact O-N 3.09Å; P729-A733 VanDerWaalsContact O-N 3.16Å; E730-A733 PolarHBondContact O-N 3.08Å; A733-R737 PolarHBondContact O-N 3.4Å
734T83.8Confident73.4Confident83 Ų83116 Ų11651%0.50956%0.558SS.*Hα-helixtrans-65.4-44.8178.3-55.20000111.9E730 R731 L732 R737 I738E730-T734 PolarHBondContact O-N 3.37Å; E730-T734 VanDerWaalsContact O-N 3.09Å; E730-T734 PolarHBondContact O-OG1 3.12Å; R731-T734 PolarHBondContact O-N 2.96Å; L732-T734 VanDerWaalsContact C-N 3.3Å; L732-T734 PolarHBondContact O-N 3.45Å; T734-R737 PolarHBondContact O-N 2.91Å; T734-I738 HydrophobicContact CG2-CD1 4.28Å; T734-I738 WeakPolarHBondContact O-CG1 3.31Å; T734-I738 PolarHBondContact O-N 3.01Å
735S76.5Confident73Confident64 Ų64118 Ų11845%0.44856%0.561SS.*Hα-helixtrans-64.4-41.1179.8-169.70000112.5R731 L732 R737 I738 N739R731-S735 PolarHBondContact O-N 3.49Å; R731-S735 VanDerWaalsContact O-N 3.07Å; L732-S735 PolarHBondContact O-N 2.62Å; S735-R737 VanDerWaalsContact C-N 3.31Å; S735-R737 PolarHBondContact O-N 3.37Å; S735-I738 PolarHBondContact O-N 3.34Å; S735-N739 PolarHBondContact O-N 3.47Å
736Q79.8Confident72.3Confident137 Ų137117.1 Ų117.164%0.6456%0.564SS**Hα-helixtrans-61.4-38.9175.8-72.1178-5.800112.4L732 K740L732-Q736 WeakPolarHBondContact O-CG 3.37Å; L732-Q736 PolarHBondContact O-N 3.05Å; L732-Q736 VanDerWaalsContact O-N 3.12Å; Q736-K740 PolarHBondContact O-N 2.9Å
737R79.9Confident71.3Confident193 Ų193116.5 Ų116.573%0.72857%0.568SS**Hα-helixtrans-65-42178.1-163.6176.9-171167.22.6112.3A733 T734 S735 K740 L741A733-R737 PolarHBondContact O-N 3.4Å; T734-R737 PolarHBondContact O-N 2.91Å; S735-R737 VanDerWaalsContact C-N 3.31Å; S735-R737 PolarHBondContact O-N 3.37Å; R737-K740 PolarHBondContact O-N 3.3Å; R737-L741 HydrophobicContact CG-CD1 4.45Å; R737-L741 PolarHBondContact O-N 2.86Å
738I78Confident70.1Confident103 Ų103118.9 Ų118.953%0.52858%0.584SS.*Hα-helixtrans-64.3-44.2179.1-66.5168.9000111.1T734 S735 K740 L741 S742T734-I738 HydrophobicContact CG2-CD1 4.28Å; T734-I738 WeakPolarHBondContact O-CG1 3.31Å; T734-I738 PolarHBondContact O-N 3.01Å; S735-I738 PolarHBondContact O-N 3.34Å; I738-K740 VanDerWaalsContact C-N 3.28Å; I738-K740 PolarHBondContact O-N 3.5Å; I738-L741 PolarHBondContact O-N 2.91Å; I738-S742 PolarHBondContact O-N 3.46Å; I738-S742 VanDerWaalsContact O-N 3.08Å; I738-S742 PolarHBondContact O-OG 3.33Å; I738-S742 VanDerWaalsContact O-OG 3.1Å
739N74.5Confident68.8Low99 Ų99119.1 Ų119.153%0.52959%0.589SS.*Hα-helixtrans-65-29.1179.9-75.5-21.6000113.8S735 S742 K743S735-N739 PolarHBondContact O-N 3.47Å; N739-S742 WeakPolarHBondContact CA-OG 3.14Å; N739-S742 PolarHBondContact O-OG 2.93Å; N739-S742 VanDerWaalsContact O-OG 3.08Å; N739-K743 PolarHBondContact O-N 3.17Å
740K71Confident67.3Low147 Ų147120.9 Ų120.964%0.63960%0.601SS**Hα-helixtrans-72.9-42.9176.6-154.3177-178.1-175.50111.2Q736 R737 I738 S742 K743 E744Q736-K740 PolarHBondContact O-N 2.9Å; R737-K740 PolarHBondContact O-N 3.3Å; I738-K740 VanDerWaalsContact C-N 3.28Å; I738-K740 PolarHBondContact O-N 3.5Å; K740-S742 PolarHBondContact O-N 2.68Å; K740-K743 PolarHBondContact O-N 3.49Å; K740-E744 PolarHBondContact O-N 3.22Å
741L66.8Low65.8Low95 Ų95121.2 Ų121.250%0.49761%0.612SS.*Hα-helixtrans-66.3-33.7177.7-74161.7000113.3R737 I738 K745R737-L741 HydrophobicContact CG-CD1 4.45Å; R737-L741 PolarHBondContact O-N 2.86Å; I738-L741 PolarHBondContact O-N 2.91Å; L741-K745 PolarHBondContact O-N 2.88Å
742S57.7Low64.4Low62 Ų62117.4 Ų117.443%0.43460%0.603SS.*Hα-helixtrans-71.2-34.1176.544.90000112.8I738 N739 K740 T746I738-S742 PolarHBondContact O-N 3.46Å; I738-S742 VanDerWaalsContact O-N 3.08Å; I738-S742 PolarHBondContact O-OG 3.33Å; I738-S742 VanDerWaalsContact O-OG 3.1Å; N739-S742 WeakPolarHBondContact CA-OG 3.14Å; N739-S742 PolarHBondContact O-OG 2.93Å; N739-S742 VanDerWaalsContact O-OG 3.08Å; K740-S742 PolarHBondContact O-N 2.68Å; S742-T746 PolarHBondContact O-OG1 3.35Å
743K58.9Low63.2Low164 Ų164115.7 Ų115.771%0.71360%0.604SS**Hα-helixtrans-64.4-49.5172.4-85.2-175.3173.9-175.80112.5N739 K740 K745 T746N739-K743 PolarHBondContact O-N 3.17Å; K740-K743 PolarHBondContact O-N 3.49Å; K743-K745 VanDerWaalsContact C-N 3.28Å; K743-K745 PolarHBondContact O-N 3.47Å; K743-T746 PolarHBondContact O-N 3.27Å; K743-T746 VanDerWaalsContact O-N 3.09Å; K743-T746 PolarHBondContact O-OG1 3.25Å
744E53.2Low62.6Low111 Ų111119 Ų11952%0.51961%0.613SS.*Hα-helixtrans-61.3-33.1-177.9-73.7174.8-178.700113.1K740 T746K740-E744 PolarHBondContact O-N 3.22Å; E744-T746 VanDerWaalsContact C-N 3.3Å; E744-T746 PolarHBondContact O-N 3.16Å
745K51.3Low62Low163 Ų163116.3 Ų116.371%0.70960%0.6SS**Hα-helixtrans-70.1-21.7177-80.2-175.3174.4-175.40114.5L741 K743 E747L741-K745 PolarHBondContact O-N 2.88Å; K743-K745 VanDerWaalsContact C-N 3.28Å; K743-K745 PolarHBondContact O-N 3.47Å; K745-E747 VanDerWaalsContact C-N 3.28Å; K745-E747 PolarHBondContact O-N 2.77Å
746T49.7Very low62.2Low105 Ų105117.6 Ų117.664%0.64460%0.598SS**Hα-helixtrans-78.6-15.9-176.6-33.60000112S742 K743 E744S742-T746 PolarHBondContact O-OG1 3.35Å; K743-T746 PolarHBondContact O-N 3.27Å; K743-T746 VanDerWaalsContact O-N 3.09Å; K743-T746 PolarHBondContact O-OG1 3.25Å; E744-T746 VanDerWaalsContact C-N 3.3Å; E744-T746 PolarHBondContact O-N 3.16Å
747E48.2Very low62Low168 Ų168112.2 Ų112.279%0.78558%0.58SS**THydrogen-bonded Turntrans-88.6-2.3-176-64.8-176.2178.100114.2K745K745-E747 VanDerWaalsContact C-N 3.28Å; K745-E747 PolarHBondContact O-N 2.77Å
748I51.6Low62.1Low140 Ų140103.3 Ų103.372%0.71855%0.547SS*.  trans-103.62.1-167.4-56.6172.7000113.8
749E50.7Low62.3Low144 Ų14498.5 Ų98.567%0.67352%0.522SS*.  trans-84.5148.6-176.6-83.7-175.8-178.600115.1
750P52.4Low62.5Low109 Ų10997.1 Ų97.171%0.70852%0.515SS*.  trans-71.7155.3-147.527.6-35.2000115.2M752P750-M752 PolarHBondContact O-N 3.46Å
751V49.7Very low62.9Low138 Ų13893.7 Ų93.784%0.83651%0.506SS*.  trans-59.287.1-179.6-175.70000111.2G753V751-G753 PolarHBondContact O-N 3.15Å
752M53.2Low63.6Low105 Ų10589.4 Ų89.452%0.51748%0.484SS..  trans-74.684.8154.4-72.8-75-75.300106.5P750P750-M752 PolarHBondContact O-N 3.46Å
753G56.9Low64.9Low41 Ų4188 Ų8842%0.42347%0.47SS..  trans-85.1-12.7-170.800000115.1V751V751-G753 PolarHBondContact O-N 3.15Å
754D69.9Low65.9Low127 Ų12780.7 Ų80.768%0.67944%0.44SS*.  trans-105.2130.3-171.6-62.7-18.3000111.1E756 G757 I758D754-E756 PolarHBondContact O-N 2.99Å; D754-E756 VanDerWaalsContact O-N 3.14Å; D754-G757 PolarHBondContact O-N 3.39Å; D754-I758 PolarHBondContact O-N 3.27Å
755A73Confident67.2Low27 Ų2778.7 Ų78.722%0.22343%0.43CS..Hα-helixtrans-59.5-25.8-179.600000112.9M759 I811 R815A755-M759 VanDerWaalsContact O-CG 3.25Å; A755-M759 WeakPolarHBondContact O-CG 3.43Å; A755-M759 PolarHBondContact O-N 3.05Å; A755-I811 HydrophobicContact CB-CG2 3.7Å; A755-R815 PolarHBondContact O-NH1 2.82Å
756E79.4Confident68.8Low91 Ų9170.9 Ų70.943%0.42540%0.397SS..Hα-helixtrans-75.3-42.9178.4-155.263.7-168.200112D754 I758 M759 D760 R815D754-E756 PolarHBondContact O-N 2.99Å; D754-E756 VanDerWaalsContact O-N 3.14Å; E756-I758 VanDerWaalsContact C-N 3.27Å; E756-I758 PolarHBondContact O-N 2.95Å; E756-M759 CarbonylContact O-C 3.48Å; E756-M759 WeakPolarHBondContact O-CA 3.5Å; E756-M759 WeakPolarHBondContact O-CB 3.41Å; E756-M759 PolarHBondContact O-N 2.9Å; E756-D760 PolarHBondContact O-N 2.7Å; E756-R815 IonicContact OE2-CZ 2.78Å; E756-R815 VanDerWaalsContact OE2-CZ 3.31Å; E756-R815 IonicContact OE2-NH1 3.83Å; E756-R815 PolarHBondContact OE2-NH1 3.01Å; E756-R815 IonicContact OE2-NH2 3.86Å; E756-R815 PolarHBondContact OE2-NH2 3.31Å
757G76.7Confident70.4Confident24 Ų2470.3 Ų70.325%0.24738%0.383CS..Hα-helixtrans-63.1-34.5176.900000112.8D754 D760 T761D754-G757 PolarHBondContact O-N 3.39Å; G757-D760 PolarHBondContact O-N 3.16Å; G757-T761 PolarHBondContact O-N 3.15Å; G757-T761 VanDerWaalsContact O-N 3.07Å; G757-T761 PolarHBondContact O-OG1 2.87Å
758I80.7Confident71.9Confident6 Ų669.8 Ų69.83%0.03137%0.374CS..Hα-helixtrans-66.4-40.6172.6-61.1164.5000110.6D754 E756 T761 L762 I811 L812D754-I758 PolarHBondContact O-N 3.27Å; E756-I758 VanDerWaalsContact C-N 3.27Å; E756-I758 PolarHBondContact O-N 2.95Å; I758-T761 WeakPolarHBondContact CA-OG1 3.26Å; I758-T761 PolarHBondContact O-OG1 2.98Å; I758-L762 HydrophobicContact CG2-CD1 4.32Å; I758-L762 WeakPolarHBondContact O-CB 3.41Å; I758-L762 WeakPolarHBondContact O-CG 3.34Å; I758-L762 PolarHBondContact O-N 3.11Å; I758-I811 HydrophobicContact CD1-CB 4.11Å; I758-I811 HydrophobicContact CD1-CD1 3.91Å; I758-I811 HydrophobicContact CD1-CG2 4.04Å; I758-L812 HydrophobicContact CG2-CD1 3.82Å; I758-L812 HydrophobicContact CG2-CD2 4.06Å; I758-L812 HydrophobicContact CG2-CG 3.95Å
759M82.1Confident73.3Confident2 Ų268.1 Ų68.11%0.0136%0.359CS..Hα-helixtrans-66.1-39176.2-74.8-65-61.400111.8A755 E756 L762 K763 L812 Y816 F829 D832 V833A755-M759 VanDerWaalsContact O-CG 3.25Å; A755-M759 WeakPolarHBondContact O-CG 3.43Å; A755-M759 PolarHBondContact O-N 3.05Å; E756-M759 CarbonylContact O-C 3.48Å; E756-M759 WeakPolarHBondContact O-CA 3.5Å; E756-M759 WeakPolarHBondContact O-CB 3.41Å; E756-M759 PolarHBondContact O-N 2.9Å; M759-L762 WeakPolarHBondContact O-CB 3.47Å; M759-L762 PolarHBondContact O-N 2.91Å; M759-L762 HydrophobicContact SD-CD1 4.38Å; M759-K763 WeakPolarHBondContact O-CB 3.41Å; M759-K763 VanDerWaalsContact O-CG 3.23Å; M759-K763 WeakPolarHBondContact O-CG 3.39Å; M759-K763 PolarHBondContact O-N 2.75Å; M759-L812 HydrophobicContact CG-CD2 4.35Å; M759-L812 HydrophobicContact SD-CD2 3.75Å; M759-Y816 WeakPolarHBondContact CE-OH 3.42Å; M759-Y816 HydrophobicContact SD-CE2 4.1Å; M759-Y816 PolarHBondContact SD-OH 3.44Å; M759-F829 HydrophobicContact SD-CD2 4.35Å; M759-F829 HydrophobicContact SD-CE2 4.11Å; M759-D832 HydrophobicContact CE-CB 3.94Å; M759-V833 HydrophobicContact CE-CG2 3.49Å; M759-V833 VanDerWaalsContact CE-CG2 3.49Å; M759-V833 HydrophobicContact SD-CG2 4.35Å
760D79.4Confident74.8Confident70 Ų7065.7 Ų65.737%0.37436%0.357SS..Hα-helixtrans-69.1-38.8178.2-68.9-23.6000112.2E756 G757 L762 K763 A764E756-D760 PolarHBondContact O-N 2.7Å; G757-D760 PolarHBondContact O-N 3.16Å; D760-L762 VanDerWaalsContact C-N 3.33Å; D760-K763 PolarHBondContact O-N 2.92Å; D760-A764 VanDerWaalsContact O-CB 3.29Å; D760-A764 WeakPolarHBondContact O-CB 3.26Å; D760-A764 PolarHBondContact O-N 2.96Å
761T79.1Confident76.2Confident76 Ų7661.7 Ų61.747%0.46633%0.33SS..Hα-helixtrans-63.2-42171.516.50000111.3G757 I758 A764 E765G757-T761 PolarHBondContact O-N 3.15Å; G757-T761 VanDerWaalsContact O-N 3.07Å; G757-T761 PolarHBondContact O-OG1 2.87Å; I758-T761 WeakPolarHBondContact CA-OG1 3.26Å; I758-T761 PolarHBondContact O-OG1 2.98Å; T761-A764 PolarHBondContact O-N 3.05Å; T761-E765 WeakPolarHBondContact O-CG 3.39Å; T761-E765 PolarHBondContact O-N 3.22Å
762L82.9Confident77.7Confident5 Ų562.3 Ų62.33%0.02632%0.317CS..Hα-helixtrans-61.9-48174.3-88.1173000112.5I758 M759 D760 A764 E765 V766 L802 I804 L812 F829I758-L762 HydrophobicContact CG2-CD1 4.32Å; I758-L762 WeakPolarHBondContact O-CB 3.41Å; I758-L762 WeakPolarHBondContact O-CG 3.34Å; I758-L762 PolarHBondContact O-N 3.11Å; M759-L762 WeakPolarHBondContact O-CB 3.47Å; M759-L762 PolarHBondContact O-N 2.91Å; M759-L762 HydrophobicContact SD-CD1 4.38Å; D760-L762 VanDerWaalsContact C-N 3.33Å; L762-A764 VanDerWaalsContact C-N 3.32Å; L762-A764 PolarHBondContact O-N 3.15Å; L762-E765 PolarHBondContact O-N 2.83Å; L762-V766 WeakPolarHBondContact O-CB 3.08Å; L762-V766 VanDerWaalsContact O-CG2 3.26Å; L762-V766 WeakPolarHBondContact O-CG2 3.41Å; L762-V766 PolarHBondContact O-N 3.36Å; L762-L802 HydrophobicContact CD2-CD1 3.82Å; L762-I804 HydrophobicContact CD1-CD1 4.43Å; L762-I804 HydrophobicContact CD2-CD1 3.54Å; L762-I804 HydrophobicContact CD2-CG1 4.3Å; L762-I804 HydrophobicContact CG-CD1 4.25Å; L762-L812 HydrophobicContact CD1-CD1 3.63Å; L762-L812 HydrophobicContact CD1-CD2 4.08Å; L762-F829 HydrophobicContact CD1-CE2 4.04Å; L762-F829 HydrophobicContact CD1-CZ 4.21Å
763K84Confident79.2Confident33 Ų3357.3 Ų57.314%0.14329%0.293CS..Hα-helixtrans-59.3-42.6176.6-76175.2-177.3170.10111M759 D760 V766 Y767 D832 V836M759-K763 WeakPolarHBondContact O-CB 3.41Å; M759-K763 VanDerWaalsContact O-CG 3.23Å; M759-K763 WeakPolarHBondContact O-CG 3.39Å; M759-K763 PolarHBondContact O-N 2.75Å; D760-K763 PolarHBondContact O-N 2.92Å; K763-V766 PolarHBondContact O-N 3.02Å; K763-Y767 VanDerWaalsContact O-CB 3.29Å; K763-Y767 WeakPolarHBondContact O-CB 3.43Å; K763-Y767 PolarHBondContact O-N 3.02Å; K763-D832 WeakPolarHBondContact CE-O 3.4Å; K763-V836 HydrophobicContact CB-CG2 3.56Å; K763-V836 HydrophobicContact CD-CG2 3.97Å; K763-V836 HydrophobicContact CG-CG2 3.51Å
764A80.7Confident80.5Confident9 Ų955.9 Ų55.97%0.07428%0.276CS..Hα-helixtrans-64.9-42.9176.200000112.7D760 T761 L762 R768D760-A764 VanDerWaalsContact O-CB 3.29Å; D760-A764 WeakPolarHBondContact O-CB 3.26Å; D760-A764 PolarHBondContact O-N 2.96Å; T761-A764 PolarHBondContact O-N 3.05Å; L762-A764 VanDerWaalsContact C-N 3.32Å; L762-A764 PolarHBondContact O-N 3.15Å; A764-R768 VanDerWaalsContact O-CB 3.3Å; A764-R768 WeakPolarHBondContact O-CB 3.46Å; A764-R768 PolarHBondContact O-N 2.84Å
765E80Confident81.2Confident69 Ų6953 Ų5332%0.32226%0.261SS..Hα-helixtrans-65.5-43175.3-77.4-59.214700112.2T761 L762 R768 R769 L802T761-E765 WeakPolarHBondContact O-CG 3.39Å; T761-E765 PolarHBondContact O-N 3.22Å; L762-E765 PolarHBondContact O-N 2.83Å; E765-R768 PolarHBondContact O-N 3.45Å; E765-R768 IonicContact OE1-CZ 3.83Å; E765-R768 IonicContact OE1-NH1 3.46Å; E765-R768 PolarHBondContact OE1-NH1 2.95Å; E765-R768 IonicContact OE2-NH1 3.9Å; E765-R768 PolarHBondContact OE2-NH1 3.35Å; E765-R768 VanDerWaalsContact OE2-NH1 3.14Å; E765-R769 WeakPolarHBondContact O-CB 3.31Å; E765-R769 PolarHBondContact O-N 2.75Å; E765-L802 HydrophobicContact CB-CD2 4.17Å
766V83.8Confident81.8Confident0 Ų057.2 Ų57.20%027%0.271CS..Hα-helixtrans-65-43.4178.3166.90000110.8L762 K763 S770 L771 L773 V833 F837L762-V766 WeakPolarHBondContact O-CB 3.08Å; L762-V766 VanDerWaalsContact O-CG2 3.26Å; L762-V766 WeakPolarHBondContact O-CG2 3.41Å; L762-V766 PolarHBondContact O-N 3.36Å; K763-V766 PolarHBondContact O-N 3.02Å; V766-S770 VanDerWaalsContact O-CA 3.28Å; V766-S770 WeakPolarHBondContact O-CA 3.25Å; V766-S770 PolarHBondContact O-N 3.02Å; V766-L771 HydrophobicContact CG1-CB 4.33Å; V766-L771 WeakPolarHBondContact CG1-O 3.5Å; V766-L771 HydrophobicContact CG2-CB 4.38Å; V766-L771 HydrophobicContact CG2-CD1 4.45Å; V766-L771 PolarHBondContact O-N 3.01Å; V766-L771 VanDerWaalsContact O-N 3.12Å; V766-L773 HydrophobicContact CG2-CD1 4.12Å; V766-L773 HydrophobicContact CG2-CD2 4.44Å; V766-L773 HydrophobicContact CG2-CG 4.37Å; V766-V833 HydrophobicContact CB-CG1 4.04Å; V766-V833 HydrophobicContact CG1-CG1 4.03Å; V766-V833 HydrophobicContact CG2-CG1 3.77Å; V766-F837 HydrophobicContact CG1-CE2 3.39Å; V766-F837 HydrophobicContact CG1-CZ 3.71Å; V766-F837 WeakPolarHBondContact O-CZ 2.97Å
767Y83.3Confident82.2Confident93 Ų9352.9 Ų52.937%0.36525%0.251SS..Hα-helixtrans-59.9-50173.2-174.8-99.8000111.7K763 R769 S770 V836 Y853 P855K763-Y767 VanDerWaalsContact O-CB 3.29Å; K763-Y767 WeakPolarHBondContact O-CB 3.43Å; K763-Y767 PolarHBondContact O-N 3.02Å; Y767-R769 VanDerWaalsContact C-N 3.3Å; Y767-R769 PolarHBondContact O-N 2.84Å; Y767-S770 PolarHBondContact O-N 3.25Å; Y767-V836 HydrophobicContact CD2-CG1 3.58Å; Y767-V836 HydrophobicContact CG-CG1 4.1Å; Y767-Y853 AromaticContact CD2-CD1 3.97Å; Y767-Y853 HydrophobicContact CD2-CD1 3.97Å; Y767-Y853 VanDerWaalsContact CE2-O 3.29Å; Y767-Y853 WeakPolarHBondContact CE2-O 3.41Å; Y767-Y853 HydrophobicContact CG-CD1 4.05Å; Y767-Y853 HydrophobicContact CG-CE1 4.45Å; Y767-Y853 PolarHBondContact OH-O 3.22Å; Y767-P855 HydrophobicContact CD1-CG 3.69Å; Y767-P855 VanDerWaalsContact CE1-CD 3.42Å; Y767-P855 HydrophobicContact CE1-CG 3.79Å
768R79.5Confident82.7Confident156 Ų15658.4 Ų58.459%0.58926%0.264SS*.Hα-helixtrans-63.4-36.1-176.4-168.6-175-57107.3-3.1112.5A764 E765A764-R768 VanDerWaalsContact O-CB 3.3Å; A764-R768 WeakPolarHBondContact O-CB 3.46Å; A764-R768 PolarHBondContact O-N 2.84Å; E765-R768 PolarHBondContact O-N 3.45Å; E765-R768 IonicContact OE1-CZ 3.83Å; E765-R768 IonicContact OE1-NH1 3.46Å; E765-R768 PolarHBondContact OE1-NH1 2.95Å; E765-R768 IonicContact OE2-NH1 3.9Å; E765-R768 PolarHBondContact OE2-NH1 3.35Å; E765-R768 VanDerWaalsContact OE2-NH1 3.14Å
769R82.5Confident83Confident106 Ų10663.6 Ų63.640%0.429%0.292SS..Hα-helixtrans-98.3-1.3-177.4-66.8174.962.8-170.9-5.3113.4E765 Y767 L771 L800E765-R769 WeakPolarHBondContact O-CB 3.31Å; E765-R769 PolarHBondContact O-N 2.75Å; Y767-R769 VanDerWaalsContact C-N 3.3Å; Y767-R769 PolarHBondContact O-N 2.84Å; R769-L771 VanDerWaalsContact C-N 3.31Å; R769-L771 HydrophobicContact CB-CD1 4.01Å; R769-L771 HydrophobicContact CB-CD2 4.07Å; R769-L771 HydrophobicContact CB-CG 3.66Å; R769-L771 PolarHBondContact O-N 3.45Å; R769-L800 VanDerWaalsContact CZ-O 3.3Å; R769-L800 PolarHBondContact NH1-O 3.14Å; R769-L800 PolarHBondContact NH2-O 3.03Å
770S81.2Confident83.1Confident92 Ų9267.7 Ų67.764%0.64331%0.311SS*.THydrogen-bonded Turntrans47.748.9-174.5-61.40000113.2V766 Y767V766-S770 VanDerWaalsContact O-CA 3.28Å; V766-S770 WeakPolarHBondContact O-CA 3.25Å; V766-S770 PolarHBondContact O-N 3.02Å; Y767-S770 PolarHBondContact O-N 3.25Å
771L82Confident83.5Confident25 Ų2564.8 Ų64.813%0.13130%0.295CS..  trans-83.7122.3-175-62.2173.3000111.7V766 R769 L773 L802 F837V766-L771 HydrophobicContact CG1-CB 4.33Å; V766-L771 WeakPolarHBondContact CG1-O 3.5Å; V766-L771 HydrophobicContact CG2-CB 4.38Å; V766-L771 HydrophobicContact CG2-CD1 4.45Å; V766-L771 PolarHBondContact O-N 3.01Å; V766-L771 VanDerWaalsContact O-N 3.12Å; R769-L771 VanDerWaalsContact C-N 3.31Å; R769-L771 HydrophobicContact CB-CD1 4.01Å; R769-L771 HydrophobicContact CB-CD2 4.07Å; R769-L771 HydrophobicContact CB-CG 3.66Å; R769-L771 PolarHBondContact O-N 3.45Å; L771-L773 HydrophobicContact CB-CD2 4.48Å; L771-L773 PolarHBondContact O-N 3.45Å; L771-L802 HydrophobicContact CD1-CD2 4.02Å; L771-F837 WeakPolarHBondContact O-CE2 2.85Å
772R82.1Confident83.8Confident152 Ų15270.4 Ų70.457%0.57431%0.313SS*.  trans-88.994.8171-169.6166.1-175.3-174.512110.3S774 D775 W776R772-S774 VanDerWaalsContact C-N 3.31Å; R772-S774 VanDerWaalsContact CG-OG 3.31Å; R772-S774 WeakPolarHBondContact CG-OG 3.24Å; R772-S774 PolarHBondContact O-N 2.91Å; R772-D775 VanDerWaalsContact CD-OD2 3.28Å; R772-D775 WeakPolarHBondContact CD-OD2 3.34Å; R772-D775 IonicContact NE-OD1 3.62Å; R772-D775 IonicContact NE-OD2 3.63Å; R772-W776 VanDerWaalsContact O-CD1 3.28Å
773L84.5Confident83.9Confident0 Ų076.3 Ų76.30%034%0.344CS..Hα-helixtrans-67.2-34.1-175.6-63.7-177.7000111.9V766 L771 D775 W776 F777 L800 F829 V830 V833 E834V766-L773 HydrophobicContact CG2-CD1 4.12Å; V766-L773 HydrophobicContact CG2-CD2 4.44Å; V766-L773 HydrophobicContact CG2-CG 4.37Å; L771-L773 HydrophobicContact CB-CD2 4.48Å; L771-L773 PolarHBondContact O-N 3.45Å; L773-D775 VanDerWaalsContact C-N 3.26Å; L773-D775 PolarHBondContact O-N 3.21Å; L773-W776 PolarHBondContact O-N 3.13Å; L773-W776 VanDerWaalsContact O-N 3.16Å; L773-F777 HydrophobicContact CB-CD2 4.17Å; L773-F777 HydrophobicContact CB-CE2 4.16Å; L773-F777 VanDerWaalsContact O-CD2 3.24Å; L773-F777 WeakPolarHBondContact O-CD2 3.37Å; L773-F777 PolarHBondContact O-N 3.43Å; L773-F777 VanDerWaalsContact O-N 3.15Å; L773-L800 HydrophobicContact CD2-CD1 3.32Å; L773-F829 HydrophobicContact CD1-CE1 4.05Å; L773-F829 HydrophobicContact CD1-CZ 4.4Å; L773-V830 HydrophobicContact CB-CG1 4.4Å; L773-V830 HydrophobicContact CB-CG2 3.97Å; L773-V833 HydrophobicContact CD1-CB 3.86Å; L773-V833 HydrophobicContact CD1-CG1 3.53Å; L773-V833 HydrophobicContact CD1-CG2 4.29Å; L773-E834 PolarHBondContact N-OE1 2.95Å
774S84.3Confident83.9Confident11 Ų1179.2 Ų79.28%0.07736%0.361CS..Hα-helixtrans-54.2-36.4-179.345.20000114.4R772 R778 E834R772-S774 VanDerWaalsContact C-N 3.31Å; R772-S774 VanDerWaalsContact CG-OG 3.31Å; R772-S774 WeakPolarHBondContact CG-OG 3.24Å; R772-S774 PolarHBondContact O-N 2.91Å; S774-R778 VanDerWaalsContact O-CB 3.24Å; S774-R778 WeakPolarHBondContact O-CB 3.29Å; S774-R778 PolarHBondContact O-N 2.79Å; S774-R778 VanDerWaalsContact O-N 3.17Å; S774-E834 VanDerWaalsContact CB-OE1 3.24Å; S774-E834 WeakPolarHBondContact CB-OE1 3.37Å; S774-E834 PolarHBondContact N-OE1 3.06Å; S774-E834 PolarHBondContact OG-OE1 2.79Å; S774-E834 PolarHBondContact OG-OE2 3.34Å
775D84.7Confident84.1Confident67 Ų6784.4 Ų84.436%0.35838%0.384SS..Hα-helixtrans-69-44.3-179.8-67.9-20.4000110.9R772 L773 R778 D779R772-D775 VanDerWaalsContact CD-OD2 3.28Å; R772-D775 WeakPolarHBondContact CD-OD2 3.34Å; R772-D775 IonicContact NE-OD1 3.62Å; R772-D775 IonicContact NE-OD2 3.63Å; L773-D775 VanDerWaalsContact C-N 3.26Å; L773-D775 PolarHBondContact O-N 3.21Å; D775-R778 PolarHBondContact O-N 2.7Å; D775-D779 PolarHBondContact O-N 2.8Å
776W84.2Confident84.4Confident115 Ų11581.2 Ų81.244%0.43637%0.369SS..Hα-helixtrans-66.7-41.6-179.4-65103.9000113.1R772 L773 H780 V799 L800R772-W776 VanDerWaalsContact O-CD1 3.28Å; L773-W776 PolarHBondContact O-N 3.13Å; L773-W776 VanDerWaalsContact O-N 3.16Å; W776-H780 PolarHBondContact O-CD2 2.66Å; W776-V799 HydrophobicContact CZ3-CG1 4.44Å; W776-L800 HydrophobicContact CD2-CD2 4.36Å; W776-L800 HydrophobicContact CG-CD2 4.16Å
777F88.1Confident84.7Confident0 Ų085.4 Ų85.40%039%0.386CS..Hα-helixtrans-72.5-31.9179.2-75.1-76.2000112.5L773 D779 H780 D781 L788 F793 C796 L797 W826 F829 V830L773-F777 HydrophobicContact CB-CD2 4.17Å; L773-F777 HydrophobicContact CB-CE2 4.16Å; L773-F777 VanDerWaalsContact O-CD2 3.24Å; L773-F777 WeakPolarHBondContact O-CD2 3.37Å; L773-F777 PolarHBondContact O-N 3.43Å; L773-F777 VanDerWaalsContact O-N 3.15Å; F777-D779 VanDerWaalsContact C-N 3.33Å; F777-D779 PolarHBondContact O-N 3.09Å; F777-H780 PolarHBondContact O-N 2.91Å; F777-D781 PolarHBondContact O-N 3.32Å; F777-D781 VanDerWaalsContact O-N 3.15Å; F777-L788 HydrophobicContact CB-CD1 4.37Å; F777-L788 HydrophobicContact CD1-CD1 3.51Å; F777-L788 HydrophobicContact CE1-CD1 4.3Å; F777-L788 HydrophobicContact CG-CD1 4.42Å; F777-F793 HydrophobicContact CD1-CD2 4.45Å; F777-F793 AromaticContact CE1-CD2 3.46Å; F777-F793 HydrophobicContact CE1-CD2 3.46Å; F777-F793 VanDerWaalsContact CE1-CD2 3.46Å; F777-F793 AromaticContact CE1-CE2 3.73Å; F777-F793 HydrophobicContact CE1-CE2 3.73Å; F777-F793 HydrophobicContact CE1-CG 4.42Å; F777-F793 AromaticContact CZ-CD2 3.98Å; F777-F793 HydrophobicContact CZ-CD2 3.98Å; F777-F793 AromaticContact CZ-CE2 3.77Å; F777-F793 HydrophobicContact CZ-CE2 3.77Å; F777-C796 HydrophobicContact CD1-CB 3.86Å; F777-C796 HydrophobicContact CE1-CB 3.47Å; F777-C796 VanDerWaalsContact CE1-CB 3.47Å; F777-C796 HydrophobicContact CZ-CB 3.92Å; F777-L797 HydrophobicContact CZ-CD2 3.99Å; F777-L797 HydrophobicContact CZ-CG 4.28Å; F777-W826 HydrophobicContact CB-CD2 3.66Å; F777-W826 HydrophobicContact CB-CE3 3.24Å; F777-W826 HydrophobicContact CB-CG 4.26Å; F777-W826 HydrophobicContact CB-CH2 4.28Å; F777-W826 HydrophobicContact CB-CZ3 3.59Å; F777-W826 HydrophobicContact CD1-CB 3.92Å; F777-W826 HydrophobicContact CD1-CG 4.38Å; F777-W826 HydrophobicContact CE1-CB 4.38Å; F777-W826 HydrophobicContact CG-CB 4.31Å; F777-W826 HydrophobicContact CG-CD2 4.33Å; F777-W826 AromaticContact CG-CE3 3.93Å; F777-W826 HydrophobicContact CG-CE3 3.93Å; F777-F829 AromaticContact CE2-CD1 3.98Å; F777-F829 HydrophobicContact CE2-CD1 3.98Å; F777-F829 AromaticContact CE2-CE1 3.76Å; F777-F829 HydrophobicContact CE2-CE1 3.76Å; F777-F829 AromaticContact CZ-CD1 3.95Å; F777-F829 HydrophobicContact CZ-CD1 3.95Å; F777-F829 AromaticContact CZ-CE1 3.75Å; F777-F829 HydrophobicContact CZ-CE1 3.75Å; F777-V830 HydrophobicContact CD2-CG2 3.43Å; F777-V830 VanDerWaalsContact CD2-CG2 3.43Å; F777-V830 HydrophobicContact CE2-CG2 3.91Å; F777-V830 HydrophobicContact CG-CG2 4.15Å
778R87.5Confident85Confident140 Ų14081.4 Ų81.453%0.52837%0.371SS..Hα-helixtrans-64.8-34.9177.4-168.8-176.7-57.6-173.31.9112.7S774 D775 H780 D781 W826S774-R778 VanDerWaalsContact O-CB 3.24Å; S774-R778 WeakPolarHBondContact O-CB 3.29Å; S774-R778 PolarHBondContact O-N 2.79Å; S774-R778 VanDerWaalsContact O-N 3.17Å; D775-R778 PolarHBondContact O-N 2.7Å; R778-H780 PolarHBondContact O-N 3.23Å; R778-D781 CarbonylContact O-C 3.52Å; R778-D781 PolarHBondContact O-N 3.25Å; R778-W826 HydrophobicContact CB-CH2 4.44Å
779D87Confident85.4Confident114 Ų11480 Ų8061%0.6137%0.371SS*.Hα-helixtrans-63-29.7176.5-73.6-14.1000112.7D775 F777D775-D779 PolarHBondContact O-N 2.8Å; F777-D779 VanDerWaalsContact C-N 3.33Å; F777-D779 PolarHBondContact O-N 3.09Å
780H85.3Confident85.7Confident89 Ų8977.8 Ų77.841%0.41236%0.363SS..Hα-helixtrans-89.6-23.2179.3-75.2-75.1000113.9W776 F777 R778 K782 L788 T792 C796W776-H780 PolarHBondContact O-CD2 2.66Å; F777-H780 PolarHBondContact O-N 2.91Å; R778-H780 PolarHBondContact O-N 3.23Å; H780-K782 PolarHBondContact O-N 3.09Å; H780-L788 HydrophobicContact CB-CD1 4.41Å; H780-L788 HydrophobicContact CB-CD2 3.96Å; H780-T792 HydrophobicContact CB-CG2 3.75Å; H780-C796 PolarHBondContact CD2-SG 3.13Å
781D87.7Confident86.1Confident9 Ų977.8 Ų77.85%0.04835%0.354CS..  trans-99.668.8175.3-173.910.2000111.4F777 R778 L783 N784 H785 G786 L788 W826F777-D781 PolarHBondContact O-N 3.32Å; F777-D781 VanDerWaalsContact O-N 3.15Å; R778-D781 CarbonylContact O-C 3.52Å; R778-D781 PolarHBondContact O-N 3.25Å; D781-L783 PolarHBondContact O-N 3.03Å; D781-L783 VanDerWaalsContact O-N 3.09Å; D781-N784 PolarHBondContact O-N 3.34Å; D781-N784 PolarHBondContact OD1-N 3.22Å; D781-N784 VanDerWaalsContact OD1-N 3.15Å; D781-H785 PolarHBondContact OD1-N 3.1Å; D781-H785 PolarHBondContact OD2-N 2.85Å; D781-G786 WeakPolarHBondContact OD2-CA 3.5Å; D781-G786 PolarHBondContact OD2-N 3.13Å; D781-L788 HydrophobicContact CB-CD2 3.93Å; D781-L788 HydrophobicContact CB-CG 4.4Å; D781-W826 HydrophobicContact CB-CZ2 4.12Å; D781-W826 PolarHBondContact OD2-NE1 2.69Å
782K84.5Confident86.4Confident193 Ų19377.8 Ų77.884%0.83936%0.355SS*.THydrogen-bonded Turntrans-56.8-27.4-175.8-63-176.9-179.1-178.80114.4H780H780-K782 PolarHBondContact O-N 3.09Å
783L85.3Confident86.8Confident129 Ų12970.5 Ų70.568%0.67533%0.328SS*.THydrogen-bonded Turntrans-95.80.5-179.5-66.1173.6000112.4D781 H785D781-L783 PolarHBondContact O-N 3.03Å; D781-L783 VanDerWaalsContact O-N 3.09Å; L783-H785 WeakPolarHBondContact CB-CE1 3.49Å; L783-H785 WeakPolarHBondContact CD1-CE1 3.45Å; L783-H785 PolarHBondContact O-N 3.17Å
784N84.7Confident87Confident94 Ų9474.2 Ų74.250%0.50334%0.342SS..  trans54.537.8178-159.428.4000112.9D781 G786 R827D781-N784 PolarHBondContact O-N 3.34Å; D781-N784 PolarHBondContact OD1-N 3.22Å; D781-N784 VanDerWaalsContact OD1-N 3.15Å; N784-G786 VanDerWaalsContact C-N 3.27Å; N784-G786 PolarHBondContact O-N 2.99Å; N784-R827 PolarHBondContact ND2-NH2 3.49Å; N784-R827 PolarHBondContact O-NH2 2.8Å; N784-R827 PolarHBondContact OD1-NH2 2.84Å
785H83.8Confident87.1Confident119 Ų11980.9 Ų80.955%0.55137%0.365SS*.  trans-71-22.3-179.3-66.4138.2000112.8D781 L783 Y787D781-H785 PolarHBondContact OD1-N 3.1Å; D781-H785 PolarHBondContact OD2-N 2.85Å; L783-H785 WeakPolarHBondContact CB-CE1 3.49Å; L783-H785 WeakPolarHBondContact CD1-CE1 3.45Å; L783-H785 PolarHBondContact O-N 3.17Å; H785-Y787 VanDerWaalsContact C-N 3.3Å; H785-Y787 HydrophobicContact CB-CD2 4.46Å; H785-Y787 WeakPolarHBondContact O-CD2 3.42Å
786G86.9Confident87.2Confident2 Ų277.9 Ų77.92%0.02135%0.349CS..SBendtrans84.8-0.7-171.700000114.2D781 N784 W826D781-G786 WeakPolarHBondContact OD2-CA 3.5Å; D781-G786 PolarHBondContact OD2-N 3.13Å; N784-G786 VanDerWaalsContact C-N 3.27Å; N784-G786 PolarHBondContact O-N 2.99Å; G786-W826 VanDerWaalsContact C-NE1 3.28Å; G786-W826 PolarHBondContact O-N 2.86Å; G786-W826 PolarHBondContact O-NE1 3Å
787Y89.7Confident87.3Confident87 Ų8772.6 Ų72.634%0.34133%0.33SS..EExtended strand (participates in β ladder)trans-124.3135.7-176.6-58.3-74.3000111H785 V824 D825H785-Y787 VanDerWaalsContact C-N 3.3Å; H785-Y787 HydrophobicContact CB-CD2 4.46Å; H785-Y787 WeakPolarHBondContact O-CD2 3.42Å; Y787-V824 WeakPolarHBondContact CA-O 3.22Å; Y787-D825 HydrophobicContact CD1-CB 4.18Å; Y787-D825 HydrophobicContact CE1-CB 4.05Å
788L89Confident87.1Confident10 Ų1075.1 Ų75.15%0.05236%0.356CS..EExtended strand (participates in β ladder)trans-122.6147.5175-74.8171.2000110.7F777 H780 D781 T792 T823 V824 W826F777-L788 HydrophobicContact CB-CD1 4.37Å; F777-L788 HydrophobicContact CD1-CD1 3.51Å; F777-L788 HydrophobicContact CE1-CD1 4.3Å; F777-L788 HydrophobicContact CG-CD1 4.42Å; H780-L788 HydrophobicContact CB-CD1 4.41Å; H780-L788 HydrophobicContact CB-CD2 3.96Å; D781-L788 HydrophobicContact CB-CD2 3.93Å; D781-L788 HydrophobicContact CB-CG 4.4Å; L788-T792 HydrophobicContact CD2-CG2 4.01Å; L788-T823 CarbonylContact O-C 3.51Å; L788-T823 VanDerWaalsContact O-CA 3.25Å; L788-T823 WeakPolarHBondContact O-CA 3.48Å; L788-V824 PolarHBondContact N-O 3.37Å; L788-V824 PolarHBondContact O-N 3.12Å; L788-W826 HydrophobicContact CD1-CB 3.93Å; L788-W826 HydrophobicContact CD1-CD2 4.46Å; L788-W826 HydrophobicContact CD1-CG 3.74Å; L788-W826 HydrophobicContact CG-CB 4.45Å; L788-W826 VanDerWaalsContact CG-CD1 3.47Å; L788-W826 HydrophobicContact CG-CG 4.07Å
789Q88.3Confident86.9Confident126 Ų12673 Ų7359%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-63.9145.8171.2-68.1-178.8-18.300110.6I791 T792 F793 D822Q789-I791 HydrophobicContact CB-CG2 4.38Å; Q789-I791 PolarHBondContact O-N 3.08Å; Q789-I791 VanDerWaalsContact O-N 3.16Å; Q789-T792 WeakPolarHBondContact O-CA 3.49Å; Q789-T792 WeakPolarHBondContact O-CB 3.33Å; Q789-T792 PolarHBondContact O-N 2.76Å; Q789-F793 PolarHBondContact O-N 2.98Å; Q789-D822 CarbonylContact C-O 3.56Å; Q789-D822 WeakPolarHBondContact CA-O 3.5Å
790R89.5Confident86.5Confident60 Ų6068 Ų6823%0.22633%0.331CS..Hα-helixtrans-47.4-45.9178.3-75.2178.7171.4-156.1-15.4112.9T792 F793 R794 E813 D814 D822 V824R790-T792 VanDerWaalsContact C-N 3.3Å; R790-T792 PolarHBondContact O-N 3.14Å; R790-F793 WeakPolarHBondContact O-CB 3.45Å; R790-F793 PolarHBondContact O-N 3.23Å; R790-R794 WeakPolarHBondContact O-CG 3.48Å; R790-R794 PolarHBondContact O-N 3.35Å; R790-E813 HydrophobicContact CG-CG 4.44Å; R790-D814 IonicContact CZ-OD1 3.68Å; R790-D814 IonicContact NH1-OD1 3.93Å; R790-D814 IonicContact NH2-OD1 2.72Å; R790-D814 PolarHBondContact NH2-OD1 3.05Å; R790-D822 PolarHBondContact N-O 3.06Å; R790-D822 IonicContact NE-OD1 3.6Å; R790-V824 HydrophobicContact CG-CG2 3.82Å
791I88.7Confident86Confident92 Ų9269.9 Ų69.947%0.47234%0.344SS..Hα-helixtrans-64.1-34.6179.4-160.3163.4000112.9Q789 R795Q789-I791 HydrophobicContact CB-CG2 4.38Å; Q789-I791 PolarHBondContact O-N 3.08Å; Q789-I791 VanDerWaalsContact O-N 3.16Å; I791-R795 VanDerWaalsContact O-CG 3.29Å; I791-R795 WeakPolarHBondContact O-CG 3.32Å; I791-R795 PolarHBondContact O-N 3.21Å; I791-R795 VanDerWaalsContact O-N 3.09Å
792T89Confident85.3Confident24 Ų2470.3 Ų70.315%0.14735%0.346CS..Hα-helixtrans-73.5-40.2177.1-52.30000110.3H780 L788 Q789 R790 R794 R795 C796H780-T792 HydrophobicContact CB-CG2 3.75Å; L788-T792 HydrophobicContact CD2-CG2 4.01Å; Q789-T792 WeakPolarHBondContact O-CA 3.49Å; Q789-T792 WeakPolarHBondContact O-CB 3.33Å; Q789-T792 PolarHBondContact O-N 2.76Å; R790-T792 VanDerWaalsContact C-N 3.3Å; R790-T792 PolarHBondContact O-N 3.14Å; T792-R794 PolarHBondContact O-N 3.48Å; T792-R795 WeakPolarHBondContact O-CB 3.36Å; T792-R795 PolarHBondContact O-N 3.06Å; T792-R795 VanDerWaalsContact O-N 3.15Å; T792-C796 PolarHBondContact O-N 2.83Å; T792-C796 PolarHBondContact O-SG 3.13Å
793F89.7Confident84.7Confident0 Ų071.2 Ų71.20%035%0.35CS..Hα-helixtrans-57.5-45.9172.1-177.4-99.7000111.9F777 Q789 R790 R795 C796 L797 L812 E813 V824 F829F777-F793 HydrophobicContact CD1-CD2 4.45Å; F777-F793 AromaticContact CE1-CD2 3.46Å; F777-F793 HydrophobicContact CE1-CD2 3.46Å; F777-F793 VanDerWaalsContact CE1-CD2 3.46Å; F777-F793 AromaticContact CE1-CE2 3.73Å; F777-F793 HydrophobicContact CE1-CE2 3.73Å; F777-F793 HydrophobicContact CE1-CG 4.42Å; F777-F793 AromaticContact CZ-CD2 3.98Å; F777-F793 HydrophobicContact CZ-CD2 3.98Å; F777-F793 AromaticContact CZ-CE2 3.77Å; F777-F793 HydrophobicContact CZ-CE2 3.77Å; Q789-F793 PolarHBondContact O-N 2.98Å; R790-F793 WeakPolarHBondContact O-CB 3.45Å; R790-F793 PolarHBondContact O-N 3.23Å; F793-R795 VanDerWaalsContact C-N 3.34Å; F793-R795 PolarHBondContact O-N 2.74Å; F793-C796 PolarHBondContact O-N 3.39Å; F793-L797 HydrophobicContact CD1-CD1 4.12Å; F793-L797 HydrophobicContact CE1-CD1 3.48Å; F793-L797 VanDerWaalsContact CE1-CD1 3.48Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 HydrophobicContact CE2-CD1 4.45Å; F793-L797 HydrophobicContact CZ-CD1 3.67Å; F793-L797 HydrophobicContact CZ-CG 4.45Å; F793-L797 PolarHBondContact O-N 2.77Å; F793-L797 VanDerWaalsContact O-N 3.16Å; F793-L812 HydrophobicContact CE1-CB 4.45Å; F793-E813 HydrophobicContact CD1-CG 3.87Å; F793-E813 HydrophobicContact CE1-CG 4.22Å; F793-V824 HydrophobicContact CB-CB 4.35Å; F793-V824 HydrophobicContact CB-CG2 4.27Å; F793-V824 HydrophobicContact CD1-CG1 4.36Å; F793-V824 HydrophobicContact CD2-CB 4.28Å; F793-V824 HydrophobicContact CD2-CG1 3.8Å; F793-V824 HydrophobicContact CE1-CG1 4.47Å; F793-V824 HydrophobicContact CE2-CG1 3.94Å; F793-V824 HydrophobicContact CG-CB 4.24Å; F793-V824 HydrophobicContact CG-CG1 4.03Å; F793-V824 HydrophobicContact CG-CG2 4.3Å; F793-V824 HydrophobicContact CZ-CG1 4.28Å; F793-F829 HydrophobicContact CE2-CB 4.45Å; F793-F829 AromaticContact CE2-CD1 3.68Å; F793-F829 HydrophobicContact CE2-CD1 3.68Å; F793-F829 HydrophobicContact CE2-CE1 4.06Å; F793-F829 HydrophobicContact CE2-CG 4.02Å; F793-F829 HydrophobicContact CZ-CD1 4.01Å; F793-F829 HydrophobicContact CZ-CD2 4.32Å; F793-F829 HydrophobicContact CZ-CE1 4.11Å; F793-F829 HydrophobicContact CZ-CE2 4.41Å; F793-F829 HydrophobicContact CZ-CG 4.1Å; F793-F829 HydrophobicContact CZ-CZ 4.3Å
794R89.1Confident84.3Confident77 Ų7766.6 Ų66.629%0.29133%0.326SS..Hα-helixtrans-58-43.8172.6-69.6-172.6-179-154.7-5.8112.6R790 T792 L797 G798 E806 S810 E813R790-R794 WeakPolarHBondContact O-CG 3.48Å; R790-R794 PolarHBondContact O-N 3.35Å; T792-R794 PolarHBondContact O-N 3.48Å; R794-L797 PolarHBondContact O-N 2.63Å; R794-G798 PolarHBondContact O-N 2.88Å; R794-E806 IonicContact NH1-OE1 2.69Å; R794-E806 PolarHBondContact NH1-OE1 3.23Å; R794-S810 PolarHBondContact NH2-OG 3.49Å; R794-E813 WeakPolarHBondContact CD-OE1 3.36Å; R794-E813 WeakPolarHBondContact CG-OE1 3.33Å; R794-E813 IonicContact CZ-OE1 3.6Å; R794-E813 IonicContact CZ-OE2 2.7Å; R794-E813 IonicContact NE-OE1 3.35Å; R794-E813 PolarHBondContact NE-OE1 3.28Å; R794-E813 IonicContact NE-OE2 3.08Å; R794-E813 PolarHBondContact NE-OE2 3.36Å; R794-E813 IonicContact NH2-OE1 2.92Å; R794-E813 IonicContact NH2-OE2 3.37Å; R794-E813 PolarHBondContact NH2-OE2 2.76Å
795R86.2Confident83.9Confident152 Ų15266.5 Ų66.557%0.57433%0.326SS*.Hα-helixtrans-61.8-44.6178.4-74.7171-177.7175.81.6111.4I791 T792 F793 L797 G798 V799I791-R795 VanDerWaalsContact O-CG 3.29Å; I791-R795 WeakPolarHBondContact O-CG 3.32Å; I791-R795 PolarHBondContact O-N 3.21Å; I791-R795 VanDerWaalsContact O-N 3.09Å; T792-R795 WeakPolarHBondContact O-CB 3.36Å; T792-R795 PolarHBondContact O-N 3.06Å; T792-R795 VanDerWaalsContact O-N 3.15Å; F793-R795 VanDerWaalsContact C-N 3.34Å; F793-R795 PolarHBondContact O-N 2.74Å; R795-L797 PolarHBondContact O-N 2.83Å; R795-G798 PolarHBondContact O-N 2.92Å; R795-V799 WeakPolarHBondContact O-CG2 3.28Å; R795-V799 PolarHBondContact O-N 2.8Å; R795-V799 VanDerWaalsContact O-N 3.07Å
796C87.3Confident83.8Confident3 Ų367.2 Ų67.22%0.0233%0.329CS..Hα-helixtrans-57.7-48177.2-62.40000111.8F777 H780 T792 F793 V799F777-C796 HydrophobicContact CD1-CB 3.86Å; F777-C796 HydrophobicContact CE1-CB 3.47Å; F777-C796 VanDerWaalsContact CE1-CB 3.47Å; F777-C796 HydrophobicContact CZ-CB 3.92Å; H780-C796 PolarHBondContact CD2-SG 3.13Å; T792-C796 PolarHBondContact O-N 2.83Å; T792-C796 PolarHBondContact O-SG 3.13Å; F793-C796 PolarHBondContact O-N 3.39Å; C796-V799 PolarHBondContact O-N 2.7Å
797L86.1Confident83.5Confident4 Ų475.1 Ų75.12%0.02136%0.363CS..Hα-helixtrans-70.4-34.2179.6-66.9179.7000112.9F777 F793 R794 R795 L800 L802 I804 L809 F829F777-L797 HydrophobicContact CZ-CD2 3.99Å; F777-L797 HydrophobicContact CZ-CG 4.28Å; F793-L797 HydrophobicContact CD1-CD1 4.12Å; F793-L797 HydrophobicContact CE1-CD1 3.48Å; F793-L797 VanDerWaalsContact CE1-CD1 3.48Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 HydrophobicContact CE2-CD1 4.45Å; F793-L797 HydrophobicContact CZ-CD1 3.67Å; F793-L797 HydrophobicContact CZ-CG 4.45Å; F793-L797 PolarHBondContact O-N 2.77Å; F793-L797 VanDerWaalsContact O-N 3.16Å; R794-L797 PolarHBondContact O-N 2.63Å; R795-L797 PolarHBondContact O-N 2.83Å; L797-L800 HydrophobicContact CD2-CD1 4.4Å; L797-L800 PolarHBondContact O-N 3.25Å; L797-L802 HydrophobicContact CD2-CD1 3.99Å; L797-I804 HydrophobicContact CD1-CD1 4.46Å; L797-L809 HydrophobicContact CB-CD2 4.17Å; L797-L809 HydrophobicContact CD1-CD2 3.46Å; L797-L809 VanDerWaalsContact CD1-CD2 3.46Å; L797-L809 HydrophobicContact CG-CD2 4.47Å; L797-F829 HydrophobicContact CD2-CE1 4.04Å; L797-F829 HydrophobicContact CD2-CZ 4.07Å
798G83.3Confident83.1Confident53 Ų5371.7 Ų71.755%0.54635%0.352SS..Hα-helixtrans-64-38176.400000113R794 R795 L800 N801R794-G798 PolarHBondContact O-N 2.88Å; R795-G798 PolarHBondContact O-N 2.92Å; G798-L800 VanDerWaalsContact C-N 3.26Å; G798-L800 PolarHBondContact O-N 3.44Å; G798-N801 PolarHBondContact O-N 2.78Å
799V83.9Confident82.9Confident96 Ų9672.5 Ų72.558%0.58236%0.356SS*.Hα-helixtrans-65-31.3176.8172.50000111.9W776 R795 C796 N801W776-V799 HydrophobicContact CZ3-CG1 4.44Å; R795-V799 WeakPolarHBondContact O-CG2 3.28Å; R795-V799 PolarHBondContact O-N 2.8Å; R795-V799 VanDerWaalsContact O-N 3.07Å; C796-V799 PolarHBondContact O-N 2.7Å; V799-N801 PolarHBondContact O-N 2.69Å
800L79.3Confident82.7Confident8 Ų868.3 Ų68.34%0.04234%0.341CS..THydrogen-bonded Turntrans-74-6.5179.2-65.8169000113.2R769 L773 W776 L797 G798 L802R769-L800 VanDerWaalsContact CZ-O 3.3Å; R769-L800 PolarHBondContact NH1-O 3.14Å; R769-L800 PolarHBondContact NH2-O 3.03Å; L773-L800 HydrophobicContact CD2-CD1 3.32Å; W776-L800 HydrophobicContact CD2-CD2 4.36Å; W776-L800 HydrophobicContact CG-CD2 4.16Å; L797-L800 HydrophobicContact CD2-CD1 4.4Å; L797-L800 PolarHBondContact O-N 3.25Å; G798-L800 VanDerWaalsContact C-N 3.26Å; G798-L800 PolarHBondContact O-N 3.44Å; L800-L802 HydrophobicContact CB-CD1 3.87Å; L800-L802 HydrophobicContact CB-CG 3.77Å; L800-L802 HydrophobicContact CD1-CD1 4.05Å; L800-L802 PolarHBondContact O-N 3.21Å
801N75Confident82.6Confident129 Ų12967.9 Ų67.969%0.6934%0.343SS*.THydrogen-bonded Turntrans5041.7-176.7-159.529.1000112.1G798 V799G798-N801 PolarHBondContact O-N 2.78Å; V799-N801 PolarHBondContact O-N 2.69Å
802L72.9Confident82.4Confident18 Ų1863.5 Ų63.59%0.09432%0.32CS..  trans-77.8127.9172.7-60.1167.3000106.7L762 E765 L771 L797 L800 I804L762-L802 HydrophobicContact CD2-CD1 3.82Å; E765-L802 HydrophobicContact CB-CD2 4.17Å; L771-L802 HydrophobicContact CD1-CD2 4.02Å; L797-L802 HydrophobicContact CD2-CD1 3.99Å; L800-L802 HydrophobicContact CB-CD1 3.87Å; L800-L802 HydrophobicContact CB-CG 3.77Å; L800-L802 HydrophobicContact CD1-CD1 4.05Å; L800-L802 PolarHBondContact O-N 3.21Å; L802-I804 HydrophobicContact CB-CD1 3.61Å; L802-I804 HydrophobicContact CB-CG1 3.71Å; L802-I804 HydrophobicContact CD1-CD1 4.07Å; L802-I804 HydrophobicContact CG-CD1 4.49Å; L802-I804 PolarHBondContact O-N 3.36Å
803K71.6Confident82.3Confident212 Ų21262.6 Ų62.692%0.92231%0.314SS*.  trans-72.163.6-179.7-66.1-177.3178.6-179.90111.1
804I75.4Confident82.1Confident33 Ų3367.4 Ų67.417%0.16934%0.34CS..  trans-105.1121.4-177-50.6170.8000108.1L762 L797 L802 L809 L812L762-I804 HydrophobicContact CD1-CD1 4.43Å; L762-I804 HydrophobicContact CD2-CD1 3.54Å; L762-I804 HydrophobicContact CD2-CG1 4.3Å; L762-I804 HydrophobicContact CG-CD1 4.25Å; L797-I804 HydrophobicContact CD1-CD1 4.46Å; L802-I804 HydrophobicContact CB-CD1 3.61Å; L802-I804 HydrophobicContact CB-CG1 3.71Å; L802-I804 HydrophobicContact CD1-CD1 4.07Å; L802-I804 HydrophobicContact CG-CD1 4.49Å; L802-I804 PolarHBondContact O-N 3.36Å; I804-L809 HydrophobicContact CB-CG 4.33Å; I804-L809 HydrophobicContact CG2-CD2 4.16Å; I804-L809 HydrophobicContact CG2-CG 3.8Å; I804-L812 HydrophobicContact CG2-CD1 4.43Å
805N77.3Confident82.1Confident91 Ų9168.4 Ų68.449%0.48734%0.344SS..  trans-67.3155.5176.3-72.1-15.2000111.3K807 S808 L809N805-K807 VanDerWaalsContact C-N 3.27Å; N805-K807 PolarHBondContact O-N 2.88Å; N805-S808 WeakPolarHBondContact O-CA 3.36Å; N805-S808 WeakPolarHBondContact O-CB 3.05Å; N805-S808 PolarHBondContact O-N 3.17Å; N805-L809 PolarHBondContact O-N 3.22Å
806E80.8Confident82.2Confident134 Ų13461.8 Ų61.863%0.62632%0.319SS*.Hα-helixtrans-61.2-34.6-179-174.8168.4-162.400113.2R794 L809 S810R794-E806 IonicContact NH1-OE1 2.69Å; R794-E806 PolarHBondContact NH1-OE1 3.23Å; E806-L809 PolarHBondContact O-N 2.87Å; E806-S810 PolarHBondContact O-N 3.33Å; E806-S810 PolarHBondContact O-OG 3.4Å
807K81.1Confident82.1Confident168 Ų16868 Ų6873%0.7335%0.345SS*.Hα-helixtrans-61-45171.4-68.8-178.2-178.8173.30111.3N805 S810 I811N805-K807 VanDerWaalsContact C-N 3.27Å; N805-K807 PolarHBondContact O-N 2.88Å; K807-S810 PolarHBondContact O-N 3.45Å; K807-I811 WeakPolarHBondContact O-CG1 3.47Å; K807-I811 PolarHBondContact O-N 3.42Å
808S81.9Confident81.9Confident16 Ų1668.4 Ų68.411%0.11235%0.351CS..Hα-helixtrans-66.1-38.3178.9-52.70000111.9N805 S810 I811 L812N805-S808 WeakPolarHBondContact O-CA 3.36Å; N805-S808 WeakPolarHBondContact O-CB 3.05Å; N805-S808 PolarHBondContact O-N 3.17Å; S808-S810 VanDerWaalsContact C-N 3.34Å; S808-I811 PolarHBondContact O-N 2.92Å; S808-L812 WeakPolarHBondContact O-CG 3.4Å; S808-L812 PolarHBondContact O-N 2.86Å; S808-L812 VanDerWaalsContact O-N 3.08Å
809L84.2Confident81.8Confident26 Ų2671.1 Ų71.114%0.13636%0.362CS..Hα-helixtrans-61.7-41.5171.7-79.5167.9000112.1L797 I804 N805 E806 L812 E813L797-L809 HydrophobicContact CB-CD2 4.17Å; L797-L809 HydrophobicContact CD1-CD2 3.46Å; L797-L809 VanDerWaalsContact CD1-CD2 3.46Å; L797-L809 HydrophobicContact CG-CD2 4.47Å; I804-L809 HydrophobicContact CB-CG 4.33Å; I804-L809 HydrophobicContact CG2-CD2 4.16Å; I804-L809 HydrophobicContact CG2-CG 3.8Å; N805-L809 PolarHBondContact O-N 3.22Å; E806-L809 PolarHBondContact O-N 2.87Å; L809-L812 PolarHBondContact O-N 2.97Å; L809-E813 VanDerWaalsContact O-CG 3.3Å; L809-E813 WeakPolarHBondContact O-CG 3.48Å; L809-E813 PolarHBondContact O-N 3.27Å
810S85.1Confident81.6Confident38 Ų3871.8 Ų71.827%0.26636%0.361SS..Hα-helixtrans-65.9-40.5179-550000111.7R794 E806 K807 S808 L812 E813 D814R794-S810 PolarHBondContact NH2-OG 3.49Å; E806-S810 PolarHBondContact O-N 3.33Å; E806-S810 PolarHBondContact O-OG 3.4Å; K807-S810 PolarHBondContact O-N 3.45Å; S808-S810 VanDerWaalsContact C-N 3.34Å; S810-L812 VanDerWaalsContact C-N 3.33Å; S810-L812 PolarHBondContact O-N 3.1Å; S810-E813 PolarHBondContact O-N 3.38Å; S810-D814 PolarHBondContact O-N 2.91Å
811I86.1Confident81.7Confident52 Ų5276.7 Ų76.727%0.26739%0.394SS..Hα-helixtrans-62.1-40.4174.4-65.9164.8000111.1A755 I758 K807 S808 D814 R815A755-I811 HydrophobicContact CB-CG2 3.7Å; I758-I811 HydrophobicContact CD1-CB 4.11Å; I758-I811 HydrophobicContact CD1-CD1 3.91Å; I758-I811 HydrophobicContact CD1-CG2 4.04Å; K807-I811 WeakPolarHBondContact O-CG1 3.47Å; K807-I811 PolarHBondContact O-N 3.42Å; S808-I811 PolarHBondContact O-N 2.92Å; I811-D814 PolarHBondContact O-N 3.33Å; I811-R815 PolarHBondContact O-N 3.33Å
812L85.8Confident82Confident0 Ų075.5 Ų75.50%039%0.387CS..Hα-helixtrans-66.3-42.7175.5-70.4167.4000112I758 M759 L762 F793 I804 S808 L809 S810 D814 R815 Y816 F829I758-L812 HydrophobicContact CG2-CD1 3.82Å; I758-L812 HydrophobicContact CG2-CD2 4.06Å; I758-L812 HydrophobicContact CG2-CG 3.95Å; M759-L812 HydrophobicContact CG-CD2 4.35Å; M759-L812 HydrophobicContact SD-CD2 3.75Å; L762-L812 HydrophobicContact CD1-CD1 3.63Å; L762-L812 HydrophobicContact CD1-CD2 4.08Å; F793-L812 HydrophobicContact CE1-CB 4.45Å; I804-L812 HydrophobicContact CG2-CD1 4.43Å; S808-L812 WeakPolarHBondContact O-CG 3.4Å; S808-L812 PolarHBondContact O-N 2.86Å; S808-L812 VanDerWaalsContact O-N 3.08Å; L809-L812 PolarHBondContact O-N 2.97Å; S810-L812 VanDerWaalsContact C-N 3.33Å; S810-L812 PolarHBondContact O-N 3.1Å; L812-D814 VanDerWaalsContact C-N 3.26Å; L812-D814 PolarHBondContact O-N 3.28Å; L812-R815 PolarHBondContact O-N 3.22Å; L812-Y816 HydrophobicContact CD2-CE2 4.41Å; L812-Y816 WeakPolarHBondContact O-CD2 3.39Å; L812-Y816 PolarHBondContact O-N 3.08Å; L812-Y816 VanDerWaalsContact O-N 3.14Å; L812-F829 HydrophobicContact CD2-CE2 4.38Å
813E86.7Confident82.8Confident4 Ų475.3 Ų75.32%0.01939%0.387CS..Hα-helixtrans-62.2-33.5176.6-76164.1-166.900113R790 F793 R794 L809 S810 V824R790-E813 HydrophobicContact CG-CG 4.44Å; F793-E813 HydrophobicContact CD1-CG 3.87Å; F793-E813 HydrophobicContact CE1-CG 4.22Å; R794-E813 WeakPolarHBondContact CD-OE1 3.36Å; R794-E813 WeakPolarHBondContact CG-OE1 3.33Å; R794-E813 IonicContact CZ-OE1 3.6Å; R794-E813 IonicContact CZ-OE2 2.7Å; R794-E813 IonicContact NE-OE1 3.35Å; R794-E813 PolarHBondContact NE-OE1 3.28Å; R794-E813 IonicContact NE-OE2 3.08Å; R794-E813 PolarHBondContact NE-OE2 3.36Å; R794-E813 IonicContact NH2-OE1 2.92Å; R794-E813 IonicContact NH2-OE2 3.37Å; R794-E813 PolarHBondContact NH2-OE2 2.76Å; L809-E813 VanDerWaalsContact O-CG 3.3Å; L809-E813 WeakPolarHBondContact O-CG 3.48Å; L809-E813 PolarHBondContact O-N 3.27Å; S810-E813 PolarHBondContact O-N 3.38Å; E813-V824 HydrophobicContact CB-CG2 4.45Å; E813-V824 HydrophobicContact CG-CG2 4.27Å
814D86.1Confident83.6Confident101 Ų10165.2 Ų65.254%0.5434%0.343SS..Hα-helixtrans-78-36.4176.4-74.8-19.8000112R790 S810 I811 L812R790-D814 IonicContact CZ-OD1 3.68Å; R790-D814 IonicContact NH1-OD1 3.93Å; R790-D814 IonicContact NH2-OD1 2.72Å; R790-D814 PolarHBondContact NH2-OD1 3.05Å; S810-D814 PolarHBondContact O-N 2.91Å; I811-D814 PolarHBondContact O-N 3.33Å; L812-D814 VanDerWaalsContact C-N 3.26Å; L812-D814 PolarHBondContact O-N 3.28Å
815R87.3Confident84.4Confident99 Ų9965.7 Ų65.737%0.37435%0.346SS..Hα-helixtrans-63.7-39.6176.2-178.1172178.3156.63.4112.7A755 E756 I811 L812A755-R815 PolarHBondContact O-NH1 2.82Å; E756-R815 IonicContact OE2-CZ 2.78Å; E756-R815 VanDerWaalsContact OE2-CZ 3.31Å; E756-R815 IonicContact OE2-NH1 3.83Å; E756-R815 PolarHBondContact OE2-NH1 3.01Å; E756-R815 IonicContact OE2-NH2 3.86Å; E756-R815 PolarHBondContact OE2-NH2 3.31Å; I811-R815 PolarHBondContact O-N 3.33Å; L812-R815 PolarHBondContact O-N 3.22Å
816Y88.6Confident85Confident13 Ų1361.9 Ų61.95%0.05133%0.325CS..THydrogen-bonded Turntrans-105.532.9-176.7-62.5-79.1000113.1M759 L812 G818 V824 D825 A828 F829 D832M759-Y816 WeakPolarHBondContact CE-OH 3.42Å; M759-Y816 HydrophobicContact SD-CE2 4.1Å; M759-Y816 PolarHBondContact SD-OH 3.44Å; L812-Y816 HydrophobicContact CD2-CE2 4.41Å; L812-Y816 WeakPolarHBondContact O-CD2 3.39Å; L812-Y816 PolarHBondContact O-N 3.08Å; L812-Y816 VanDerWaalsContact O-N 3.14Å; Y816-G818 PolarHBondContact O-N 3.47Å; Y816-V824 CarbonylContact O-C 3.43Å; Y816-V824 VanDerWaalsContact O-CA 3.22Å; Y816-V824 WeakPolarHBondContact O-CA 3.41Å; Y816-V824 WeakPolarHBondContact O-CG1 3.18Å; Y816-D825 PolarHBondContact O-N 2.9Å; Y816-A828 HydrophobicContact CD1-CB 3.87Å; Y816-A828 HydrophobicContact CE1-CB 4.23Å; Y816-F829 HydrophobicContact CD1-CB 3.9Å; Y816-F829 HydrophobicContact CD2-CB 3.95Å; Y816-F829 AromaticContact CD2-CD2 3.86Å; Y816-F829 HydrophobicContact CD2-CD2 3.86Å; Y816-F829 HydrophobicContact CD2-CG 4.33Å; Y816-F829 VanDerWaalsContact CE1-CA 3.42Å; Y816-F829 HydrophobicContact CE1-CB 4.02Å; Y816-F829 HydrophobicContact CE2-CB 4.1Å; Y816-F829 AromaticContact CE2-CD2 3.49Å; Y816-F829 HydrophobicContact CE2-CD2 3.49Å; Y816-F829 VanDerWaalsContact CE2-CD2 3.49Å; Y816-F829 HydrophobicContact CE2-CE2 4.41Å; Y816-F829 HydrophobicContact CE2-CG 4.27Å; Y816-F829 HydrophobicContact CG-CB 3.86Å; Y816-F829 AromaticContact CZ-CD2 3.92Å; Y816-D832 WeakPolarHBondContact OH-CB 3.26Å; Y816-D832 PolarHBondContact OH-OD2 3.3Å; Y816-D832 VanDerWaalsContact OH-OD2 3.07Å
817K86.9Confident85.3Confident132 Ų13260.1 Ų60.157%0.57431%0.312SS*.BIsolated β-bridgetrans-60.8125.7-179.6-168.5178.8-177.7178.60111.7
818G82Confident85.6Confident14 Ų1453.7 Ų53.714%0.14429%0.291CS..  trans-77.1175.317900000113.9Y816 L820 T823Y816-G818 PolarHBondContact O-N 3.47Å; G818-L820 VanDerWaalsContact C-N 3.3Å; G818-L820 PolarHBondContact O-N 3.24Å; G818-T823 WeakPolarHBondContact CA-OG1 3.21Å; G818-T823 PolarHBondContact N-O 3.35Å
819S80.2Confident86Confident110 Ų11053 Ų5377%0.76929%0.285SS*.SBendtrans-67.2-29-178.3-172.30000113.3
820L79.5Confident86.2Confident110 Ų11051.9 Ų51.958%0.57628%0.28SS*.SBendtrans-92.6147.6176.4-70163.5000110.9G818 T823G818-L820 VanDerWaalsContact C-N 3.3Å; G818-L820 PolarHBondContact O-N 3.24Å; L820-T823 HydrophobicContact CB-CG2 3.67Å; L820-T823 PolarHBondContact N-OG1 2.9Å; L820-T823 PolarHBondContact O-N 2.91Å; L820-T823 PolarHBondContact O-OG1 3.5Å
821P80.5Confident86.2Confident111 Ų11154.8 Ų54.872%0.72129%0.292SS*.THydrogen-bonded Turntrans-57.3141.5174.824.6-32.8000111.1T823P821-T823 PolarHBondContact O-N 3.11Å; P821-T823 VanDerWaalsContact O-N 3.16Å
822D83.1Confident86.2Confident103 Ų10355.4 Ų55.455%0.55130%0.296SS*.THydrogen-bonded Turntrans57.319.6-176.1-79.8-15.1000116.6Q789 R790Q789-D822 CarbonylContact C-O 3.56Å; Q789-D822 WeakPolarHBondContact CA-O 3.5Å; R790-D822 PolarHBondContact N-O 3.06Å; R790-D822 IonicContact NE-OD1 3.6Å
823T88.6Confident86.2Confident15 Ų1555.4 Ų55.49%0.09230%0.296CS..EExtended strand (participates in β ladder)trans-102.3151.6170.967.70000112.3L788 G818 L820 P821L788-T823 CarbonylContact O-C 3.51Å; L788-T823 VanDerWaalsContact O-CA 3.25Å; L788-T823 WeakPolarHBondContact O-CA 3.48Å; G818-T823 WeakPolarHBondContact CA-OG1 3.21Å; G818-T823 PolarHBondContact N-O 3.35Å; L820-T823 HydrophobicContact CB-CG2 3.67Å; L820-T823 PolarHBondContact N-OG1 2.9Å; L820-T823 PolarHBondContact O-N 2.91Å; L820-T823 PolarHBondContact O-OG1 3.5Å; P821-T823 PolarHBondContact O-N 3.11Å; P821-T823 VanDerWaalsContact O-N 3.16Å
824V89.6Confident85.9Confident0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-121.2126.8175.7-177.20000107.1Y787 L788 R790 F793 E813 Y816 W826Y787-V824 WeakPolarHBondContact CA-O 3.22Å; L788-V824 PolarHBondContact N-O 3.37Å; L788-V824 PolarHBondContact O-N 3.12Å; R790-V824 HydrophobicContact CG-CG2 3.82Å; F793-V824 HydrophobicContact CB-CB 4.35Å; F793-V824 HydrophobicContact CB-CG2 4.27Å; F793-V824 HydrophobicContact CD1-CG1 4.36Å; F793-V824 HydrophobicContact CD2-CB 4.28Å; F793-V824 HydrophobicContact CD2-CG1 3.8Å; F793-V824 HydrophobicContact CE1-CG1 4.47Å; F793-V824 HydrophobicContact CE2-CG1 3.94Å; F793-V824 HydrophobicContact CG-CB 4.24Å; F793-V824 HydrophobicContact CG-CG1 4.03Å; F793-V824 HydrophobicContact CG-CG2 4.3Å; F793-V824 HydrophobicContact CZ-CG1 4.28Å; E813-V824 HydrophobicContact CB-CG2 4.45Å; E813-V824 HydrophobicContact CG-CG2 4.27Å; Y816-V824 CarbonylContact O-C 3.43Å; Y816-V824 VanDerWaalsContact O-CA 3.22Å; Y816-V824 WeakPolarHBondContact O-CA 3.41Å; Y816-V824 WeakPolarHBondContact O-CG1 3.18Å; V824-W826 VanDerWaalsContact C-N 3.33Å; V824-W826 PolarHBondContact O-N 3.11Å
825D90.8Very high85.7Confident43 Ų4355.1 Ų55.123%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-71.690.6170.2-170.7-24.4000108.8Y787 Y816 R827 A828 F829Y787-D825 HydrophobicContact CD1-CB 4.18Å; Y787-D825 HydrophobicContact CE1-CB 4.05Å; Y816-D825 PolarHBondContact O-N 2.9Å; D825-R827 VanDerWaalsContact C-N 3.26Å; D825-R827 PolarHBondContact O-N 3.42Å; D825-R827 PolarHBondContact OD1-N 3.1Å; D825-R827 VanDerWaalsContact OD1-N 3.11Å; D825-A828 HydrophobicContact CB-CB 4.2Å; D825-A828 PolarHBondContact OD1-N 2.8Å; D825-F829 PolarHBondContact O-N 3.16Å
826W89.8Confident85.3Confident11 Ų1150.8 Ų50.84%0.04228%0.28CS..Hα-helixtrans-72.5-23.1-178.271.4-93.5000111.6F777 R778 D781 G786 L788 V824 F829 V830F777-W826 HydrophobicContact CB-CD2 3.66Å; F777-W826 HydrophobicContact CB-CE3 3.24Å; F777-W826 HydrophobicContact CB-CG 4.26Å; F777-W826 HydrophobicContact CB-CH2 4.28Å; F777-W826 HydrophobicContact CB-CZ3 3.59Å; F777-W826 HydrophobicContact CD1-CB 3.92Å; F777-W826 HydrophobicContact CD1-CG 4.38Å; F777-W826 HydrophobicContact CE1-CB 4.38Å; F777-W826 HydrophobicContact CG-CB 4.31Å; F777-W826 HydrophobicContact CG-CD2 4.33Å; F777-W826 AromaticContact CG-CE3 3.93Å; F777-W826 HydrophobicContact CG-CE3 3.93Å; R778-W826 HydrophobicContact CB-CH2 4.44Å; D781-W826 HydrophobicContact CB-CZ2 4.12Å; D781-W826 PolarHBondContact OD2-NE1 2.69Å; G786-W826 VanDerWaalsContact C-NE1 3.28Å; G786-W826 PolarHBondContact O-N 2.86Å; G786-W826 PolarHBondContact O-NE1 3Å; L788-W826 HydrophobicContact CD1-CB 3.93Å; L788-W826 HydrophobicContact CD1-CD2 4.46Å; L788-W826 HydrophobicContact CD1-CG 3.74Å; L788-W826 HydrophobicContact CG-CB 4.45Å; L788-W826 VanDerWaalsContact CG-CD1 3.47Å; L788-W826 HydrophobicContact CG-CG 4.07Å; V824-W826 VanDerWaalsContact C-N 3.33Å; V824-W826 PolarHBondContact O-N 3.11Å; W826-F829 PolarHBondContact O-N 3.13Å; W826-V830 HydrophobicContact CE3-CB 4.35Å; W826-V830 HydrophobicContact CE3-CG2 3.81Å; W826-V830 HydrophobicContact CZ3-CG2 4.24Å; W826-V830 WeakPolarHBondContact O-CB 3.22Å; W826-V830 VanDerWaalsContact O-CG2 3.24Å; W826-V830 WeakPolarHBondContact O-CG2 3.36Å; W826-V830 PolarHBondContact O-N 3.25Å
827R86.8Confident84.9Confident97 Ų9754.2 Ų54.237%0.36630%0.295SS..Hα-helixtrans-70.7-42.3178-74.7-174.4179.31573.6111.1N784 D825 V830 N831N784-R827 PolarHBondContact ND2-NH2 3.49Å; N784-R827 PolarHBondContact O-NH2 2.8Å; N784-R827 PolarHBondContact OD1-NH2 2.84Å; D825-R827 VanDerWaalsContact C-N 3.26Å; D825-R827 PolarHBondContact O-N 3.42Å; D825-R827 PolarHBondContact OD1-N 3.1Å; D825-R827 VanDerWaalsContact OD1-N 3.11Å; R827-V830 PolarHBondContact O-N 2.83Å; R827-N831 WeakPolarHBondContact O-CB 3.38Å; R827-N831 PolarHBondContact O-N 2.85Å; R827-N831 PolarHBondContact O-ND2 3.37Å
828A88.1Confident84.5Confident33 Ų3355.3 Ų55.327%0.27330%0.302SS..Hα-helixtrans-59.6-47.3172.700000110.9Y816 D825 V830 N831 D832Y816-A828 HydrophobicContact CD1-CB 3.87Å; Y816-A828 HydrophobicContact CE1-CB 4.23Å; D825-A828 HydrophobicContact CB-CB 4.2Å; D825-A828 PolarHBondContact OD1-N 2.8Å; A828-V830 PolarHBondContact O-N 3.02Å; A828-N831 PolarHBondContact O-N 3.07Å; A828-D832 PolarHBondContact O-N 3.46Å
829F89.9Confident84.3Confident0 Ų056.1 Ų56.10%031%0.305CS..Hα-helixtrans-58.3-49.3175.9171.4-108000112.9M759 L762 L773 F777 F793 L797 L812 Y816 D825 W826 D832 V833M759-F829 HydrophobicContact SD-CD2 4.35Å; M759-F829 HydrophobicContact SD-CE2 4.11Å; L762-F829 HydrophobicContact CD1-CE2 4.04Å; L762-F829 HydrophobicContact CD1-CZ 4.21Å; L773-F829 HydrophobicContact CD1-CE1 4.05Å; L773-F829 HydrophobicContact CD1-CZ 4.4Å; F777-F829 AromaticContact CE2-CD1 3.98Å; F777-F829 HydrophobicContact CE2-CD1 3.98Å; F777-F829 AromaticContact CE2-CE1 3.76Å; F777-F829 HydrophobicContact CE2-CE1 3.76Å; F777-F829 AromaticContact CZ-CD1 3.95Å; F777-F829 HydrophobicContact CZ-CD1 3.95Å; F777-F829 AromaticContact CZ-CE1 3.75Å; F777-F829 HydrophobicContact CZ-CE1 3.75Å; F793-F829 HydrophobicContact CE2-CB 4.45Å; F793-F829 AromaticContact CE2-CD1 3.68Å; F793-F829 HydrophobicContact CE2-CD1 3.68Å; F793-F829 HydrophobicContact CE2-CE1 4.06Å; F793-F829 HydrophobicContact CE2-CG 4.02Å; F793-F829 HydrophobicContact CZ-CD1 4.01Å; F793-F829 HydrophobicContact CZ-CD2 4.32Å; F793-F829 HydrophobicContact CZ-CE1 4.11Å; F793-F829 HydrophobicContact CZ-CE2 4.41Å; F793-F829 HydrophobicContact CZ-CG 4.1Å; F793-F829 HydrophobicContact CZ-CZ 4.3Å; L797-F829 HydrophobicContact CD2-CE1 4.04Å; L797-F829 HydrophobicContact CD2-CZ 4.07Å; L812-F829 HydrophobicContact CD2-CE2 4.38Å; Y816-F829 HydrophobicContact CD1-CB 3.9Å; Y816-F829 HydrophobicContact CD2-CB 3.95Å; Y816-F829 AromaticContact CD2-CD2 3.86Å; Y816-F829 HydrophobicContact CD2-CD2 3.86Å; Y816-F829 HydrophobicContact CD2-CG 4.33Å; Y816-F829 VanDerWaalsContact CE1-CA 3.42Å; Y816-F829 HydrophobicContact CE1-CB 4.02Å; Y816-F829 HydrophobicContact CE2-CB 4.1Å; Y816-F829 AromaticContact CE2-CD2 3.49Å; Y816-F829 HydrophobicContact CE2-CD2 3.49Å; Y816-F829 VanDerWaalsContact CE2-CD2 3.49Å; Y816-F829 HydrophobicContact CE2-CE2 4.41Å; Y816-F829 HydrophobicContact CE2-CG 4.27Å; Y816-F829 HydrophobicContact CG-CB 3.86Å; Y816-F829 AromaticContact CZ-CD2 3.92Å; D825-F829 PolarHBondContact O-N 3.16Å; W826-F829 PolarHBondContact O-N 3.13Å; F829-D832 PolarHBondContact O-N 3.32Å; F829-V833 HydrophobicContact CD2-CG2 4.13Å; F829-V833 HydrophobicContact CE2-CG2 3.74Å; F829-V833 HydrophobicContact CZ-CG2 3.96Å; F829-V833 WeakPolarHBondContact O-CG2 3.37Å; F829-V833 PolarHBondContact O-N 3.29Å; F829-V833 VanDerWaalsContact O-N 3.09Å
830V88.1Confident83.9Confident3 Ų354.9 Ų54.92%0.01829%0.294CS..Hα-helixtrans-65.6-40.8-179168.70000111.2L773 F777 W826 R827 A828 D832 V833 E834L773-V830 HydrophobicContact CB-CG1 4.4Å; L773-V830 HydrophobicContact CB-CG2 3.97Å; F777-V830 HydrophobicContact CD2-CG2 3.43Å; F777-V830 VanDerWaalsContact CD2-CG2 3.43Å; F777-V830 HydrophobicContact CE2-CG2 3.91Å; F777-V830 HydrophobicContact CG-CG2 4.15Å; W826-V830 HydrophobicContact CE3-CB 4.35Å; W826-V830 HydrophobicContact CE3-CG2 3.81Å; W826-V830 HydrophobicContact CZ3-CG2 4.24Å; W826-V830 WeakPolarHBondContact O-CB 3.22Å; W826-V830 VanDerWaalsContact O-CG2 3.24Å; W826-V830 WeakPolarHBondContact O-CG2 3.36Å; W826-V830 PolarHBondContact O-N 3.25Å; R827-V830 PolarHBondContact O-N 2.83Å; A828-V830 PolarHBondContact O-N 3.02Å; V830-D832 VanDerWaalsContact C-N 3.34Å; V830-D832 PolarHBondContact O-N 2.99Å; V830-V833 PolarHBondContact O-N 3.2Å; V830-E834 VanDerWaalsContact CG1-CD 3.45Å; V830-E834 HydrophobicContact CG1-CG 3.9Å; V830-E834 VanDerWaalsContact O-CB 3.25Å; V830-E834 WeakPolarHBondContact O-CB 3.28Å; V830-E834 WeakPolarHBondContact O-CG 3.4Å; V830-E834 PolarHBondContact O-N 2.97Å
831N86Confident83.6Confident100 Ų10053.9 Ų53.954%0.53529%0.289SS..Hα-helixtrans-59.8-45.6176.2-76-16.1000111.4R827 A828 V833 E834 T835R827-N831 WeakPolarHBondContact O-CB 3.38Å; R827-N831 PolarHBondContact O-N 2.85Å; R827-N831 PolarHBondContact O-ND2 3.37Å; A828-N831 PolarHBondContact O-N 3.07Å; N831-V833 VanDerWaalsContact C-N 3.32Å; N831-V833 PolarHBondContact O-N 2.94Å; N831-E834 PolarHBondContact O-N 3.28Å; N831-T835 WeakPolarHBondContact O-CG2 3.49Å; N831-T835 PolarHBondContact O-N 3.22Å; N831-T835 VanDerWaalsContact O-N 3.1Å
832D86.1Confident83.6Confident65 Ų6551.8 Ų51.835%0.34827%0.272SS..Hα-helixtrans-65.3-34.9-179.4-75.5-3.6000112.4M759 K763 Y816 A828 F829 V830 T835M759-D832 HydrophobicContact CE-CB 3.94Å; K763-D832 WeakPolarHBondContact CE-O 3.4Å; Y816-D832 WeakPolarHBondContact OH-CB 3.26Å; Y816-D832 PolarHBondContact OH-OD2 3.3Å; Y816-D832 VanDerWaalsContact OH-OD2 3.07Å; A828-D832 PolarHBondContact O-N 3.46Å; F829-D832 PolarHBondContact O-N 3.32Å; V830-D832 VanDerWaalsContact C-N 3.34Å; V830-D832 PolarHBondContact O-N 2.99Å; D832-T835 PolarHBondContact O-OG1 3.47Å
833V85Confident83.5Confident0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-82.2-39.1178-177.80000112.4M759 V766 L773 F829 V830 N831 T835 V836M759-V833 HydrophobicContact CE-CG2 3.49Å; M759-V833 VanDerWaalsContact CE-CG2 3.49Å; M759-V833 HydrophobicContact SD-CG2 4.35Å; V766-V833 HydrophobicContact CB-CG1 4.04Å; V766-V833 HydrophobicContact CG1-CG1 4.03Å; V766-V833 HydrophobicContact CG2-CG1 3.77Å; L773-V833 HydrophobicContact CD1-CB 3.86Å; L773-V833 HydrophobicContact CD1-CG1 3.53Å; L773-V833 HydrophobicContact CD1-CG2 4.29Å; F829-V833 HydrophobicContact CD2-CG2 4.13Å; F829-V833 HydrophobicContact CE2-CG2 3.74Å; F829-V833 HydrophobicContact CZ-CG2 3.96Å; F829-V833 WeakPolarHBondContact O-CG2 3.37Å; F829-V833 PolarHBondContact O-N 3.29Å; F829-V833 VanDerWaalsContact O-N 3.09Å; V830-V833 PolarHBondContact O-N 3.2Å; N831-V833 VanDerWaalsContact C-N 3.32Å; N831-V833 PolarHBondContact O-N 2.94Å; V833-T835 PolarHBondContact O-N 3.39Å; V833-V836 WeakPolarHBondContact O-CB 3.38Å; V833-V836 VanDerWaalsContact O-CG2 3.23Å; V833-V836 WeakPolarHBondContact O-CG2 3.42Å; V833-V836 PolarHBondContact O-N 3.3Å
834E81.5Confident83.2Confident43 Ų4361.2 Ų61.220%0.20131%0.309CS..Hα-helixtrans-74.6-11.3180-71.9-172.9168.700113.1L773 S774 V830 N831 V836 F837 Q838L773-E834 PolarHBondContact N-OE1 2.95Å; S774-E834 VanDerWaalsContact CB-OE1 3.24Å; S774-E834 WeakPolarHBondContact CB-OE1 3.37Å; S774-E834 PolarHBondContact N-OE1 3.06Å; S774-E834 PolarHBondContact OG-OE1 2.79Å; S774-E834 PolarHBondContact OG-OE2 3.34Å; V830-E834 VanDerWaalsContact CG1-CD 3.45Å; V830-E834 HydrophobicContact CG1-CG 3.9Å; V830-E834 VanDerWaalsContact O-CB 3.25Å; V830-E834 WeakPolarHBondContact O-CB 3.28Å; V830-E834 WeakPolarHBondContact O-CG 3.4Å; V830-E834 PolarHBondContact O-N 2.97Å; N831-E834 PolarHBondContact O-N 3.28Å; E834-V836 PolarHBondContact O-N 2.96Å; E834-F837 PolarHBondContact O-N 2.91Å; E834-Q838 PolarHBondContact O-N 3.06Å
835T82Confident82.8Confident55 Ų5565.7 Ų65.734%0.33733%0.333SS..THydrogen-bonded Turntrans-52.7-23.4167.858.30000113.4N831 D832 V833 F837 Q838 P840N831-T835 WeakPolarHBondContact O-CG2 3.49Å; N831-T835 PolarHBondContact O-N 3.22Å; N831-T835 VanDerWaalsContact O-N 3.1Å; D832-T835 PolarHBondContact O-OG1 3.47Å; V833-T835 PolarHBondContact O-N 3.39Å; T835-F837 VanDerWaalsContact C-N 3.26Å; T835-F837 PolarHBondContact O-N 3.21Å; T835-Q838 WeakPolarHBondContact CA-O 3.48Å; T835-P840 HydrophobicContact CG2-CG 4.43Å
836V79.3Confident82.4Confident9 Ų968.7 Ų68.76%0.05536%0.355CS..THydrogen-bonded Turntrans-60.4-32.5174.4169.70000112.8K763 Y767 V833 E834 Y853K763-V836 HydrophobicContact CB-CG2 3.56Å; K763-V836 HydrophobicContact CD-CG2 3.97Å; K763-V836 HydrophobicContact CG-CG2 3.51Å; Y767-V836 HydrophobicContact CD2-CG1 3.58Å; Y767-V836 HydrophobicContact CG-CG1 4.1Å; V833-V836 WeakPolarHBondContact O-CB 3.38Å; V833-V836 VanDerWaalsContact O-CG2 3.23Å; V833-V836 WeakPolarHBondContact O-CG2 3.42Å; V833-V836 PolarHBondContact O-N 3.3Å; E834-V836 PolarHBondContact O-N 2.96Å; V836-Y853 HydrophobicContact CG1-CD1 3.71Å; V836-Y853 HydrophobicContact CG1-CE1 4.37Å; V836-Y853 HydrophobicContact CG1-CG 4.06Å; V836-Y853 HydrophobicContact CG2-CD1 4.37Å; V836-Y853 HydrophobicContact CG2-CG 4.32Å
837F79Confident82.1Confident84 Ų8476.3 Ų76.337%0.36840%0.396SS..THydrogen-bonded Turntrans-96.6-34.4-177.9-62.1-67.3000113V766 L771 E834 T835V766-F837 HydrophobicContact CG1-CE2 3.39Å; V766-F837 HydrophobicContact CG1-CZ 3.71Å; V766-F837 WeakPolarHBondContact O-CZ 2.97Å; L771-F837 WeakPolarHBondContact O-CE2 2.85Å; E834-F837 PolarHBondContact O-N 2.91Å; T835-F837 VanDerWaalsContact C-N 3.26Å; T835-F837 PolarHBondContact O-N 3.21Å
838Q78.8Confident81.8Confident155 Ų15575.8 Ų75.872%0.72440%0.399SS*.  trans-148140.9-173.5-60.3-179.39.300110.6E834 T835 P840E834-Q838 PolarHBondContact O-N 3.06Å; T835-Q838 WeakPolarHBondContact CA-O 3.48Å; Q838-P840 WeakPolarHBondContact O-CD 3.34Å
839T77.5Confident81.3Confident31 Ų3182.6 Ų82.619%0.1943%0.425CS..  trans-77.4118.6168.138.40000109.3L842T839-L842 WeakPolarHBondContact O-CD1 3.28Å; T839-L842 WeakPolarHBondContact OG1-CD1 2.97Å
840P71.3Confident80.6Confident84 Ų8487 Ų8755%0.54545%0.454SS..THydrogen-bonded Turntrans-65.4153.2-177.926.2-33.7000111.7T835 Q838 L842T835-P840 HydrophobicContact CG2-CG 4.43Å; Q838-P840 WeakPolarHBondContact O-CD 3.34Å; P840-L842 VanDerWaalsContact C-N 3.33Å; P840-L842 PolarHBondContact O-N 2.97Å
841N73.8Confident79.8Confident90 Ų9091.3 Ų91.348%0.48148%0.484SS..THydrogen-bonded Turntrans62.322.5175.2-55.3-57.4000117E843 K844 D845N841-E843 PolarHBondContact O-N 3.22Å; N841-K844 PolarHBondContact O-N 3.06Å; N841-D845 PolarHBondContact O-N 2.54Å
842L80.1Confident79Confident67 Ų6792.2 Ų92.235%0.35149%0.493SS..THydrogen-bonded Turntrans-51.4-25.5169.6-95.7156.8000113.8T839 P840 K844 D845 I848T839-L842 WeakPolarHBondContact O-CD1 3.28Å; T839-L842 WeakPolarHBondContact OG1-CD1 2.97Å; P840-L842 VanDerWaalsContact C-N 3.33Å; P840-L842 PolarHBondContact O-N 2.97Å; L842-K844 VanDerWaalsContact C-N 3.34Å; L842-D845 CarbonylContact O-C 3.44Å; L842-I848 WeakPolarHBondContact CD2-O 3.4Å
843E80.8Confident78.5Confident170 Ų17092.2 Ų92.279%0.79449%0.489SS*.THydrogen-bonded Turntrans-69.4-26.6175.365.7-172-167.200114.1N841N841-E843 PolarHBondContact O-N 3.22Å
844K82.4Confident77.8Confident145 Ų145100 Ų10063%0.6352%0.523SS*.THydrogen-bonded Turntrans-88.7-37.1178.4-65-174-179.41740111.4N841 L842 P846N841-K844 PolarHBondContact O-N 3.06Å; L842-K844 VanDerWaalsContact C-N 3.34Å; K844-P846 WeakPolarHBondContact O-CD 3.03Å
845D82.6Confident77Confident94 Ų94100.4 Ų100.450%0.50353%0.529SS..  trans-125.178.1-177.3-65.6-39.7000110.9N841 L842 L847 I848N841-D845 PolarHBondContact O-N 2.54Å; L842-D845 CarbonylContact O-C 3.44Å; D845-L847 PolarHBondContact O-N 3.48Å; D845-I848 HydrophobicContact CB-CD1 3.62Å; D845-I848 HydrophobicContact CB-CG1 4.02Å; D845-I848 PolarHBondContact O-N 3.2Å
846P80.6Confident76.3Confident107 Ų107103.7 Ų103.770%0.69554%0.544SS*.THydrogen-bonded Turntrans-67.9-7.1-176.128.2-36.3000114.2K844 I848K844-P846 WeakPolarHBondContact O-CD 3.03Å; P846-I848 VanDerWaalsContact C-N 3.34Å
847L84.1Confident75.6Confident171 Ų171106.6 Ų106.690%0.89557%0.566SS**THydrogen-bonded Turntrans-82.3-8.5177.9-70.6169.9000113.5D845 E849D845-L847 PolarHBondContact O-N 3.48Å; L847-E849 PolarHBondContact O-N 3.02Å
848I81.4Confident74.9Confident85 Ų85104.4 Ų104.444%0.43656%0.561SS.*SBendtrans-80.8118.9-179.9-61.8175.2000109.3L842 D845 P846L842-I848 WeakPolarHBondContact CD2-O 3.4Å; D845-I848 HydrophobicContact CB-CD1 3.62Å; D845-I848 HydrophobicContact CB-CG1 4.02Å; D845-I848 PolarHBondContact O-N 3.2Å; P846-I848 VanDerWaalsContact C-N 3.34Å
849E76.6Confident74.3Confident177 Ų17797.9 Ų97.983%0.82753%0.531SS*.PPolyproline II helixtrans-70.4128.6172-68.5-173.1172.200110.5L847 S851L847-E849 PolarHBondContact O-N 3.02Å; E849-S851 PolarHBondContact O-N 3.07Å
850P75.2Confident73.8Confident92 Ų9299.9 Ų99.960%0.59755%0.551SS**PPolyproline II helixtrans-68.5116.2179.326.2-32.3000110.8
851S71.1Confident73.4Confident94 Ų94101.1 Ų101.166%0.65755%0.549SS*.PPolyproline II helixtrans-76.3129.9173.158.30000111E849E849-S851 PolarHBondContact O-N 3.07Å
852T69.8Low73.2Confident118 Ų11899.1 Ų99.172%0.72454%0.539SS*.PPolyproline II helixtrans-87.8119.1172.8500000110.2K854T852-K854 PolarHBondContact O-N 3.27Å
853Y76.3Confident72.8Confident65 Ų65105 Ų10526%0.25556%0.564SS.*PPolyproline II helixtrans-66.5122.9172.8-178.3-98.3000109.7Y767 V836 P855Y767-Y853 AromaticContact CD2-CD1 3.97Å; Y767-Y853 HydrophobicContact CD2-CD1 3.97Å; Y767-Y853 VanDerWaalsContact CE2-O 3.29Å; Y767-Y853 WeakPolarHBondContact CE2-O 3.41Å; Y767-Y853 HydrophobicContact CG-CD1 4.05Å; Y767-Y853 HydrophobicContact CG-CE1 4.45Å; Y767-Y853 PolarHBondContact OH-O 3.22Å; V836-Y853 HydrophobicContact CG1-CD1 3.71Å; V836-Y853 HydrophobicContact CG1-CE1 4.37Å; V836-Y853 HydrophobicContact CG1-CG 4.06Å; V836-Y853 HydrophobicContact CG2-CD1 4.37Å; V836-Y853 HydrophobicContact CG2-CG 4.32Å; Y853-P855 HydrophobicContact CE1-CB 4.15Å
854K69.2Low72.4Confident165 Ų16599 Ų9972%0.71754%0.537SS*.  trans-114.4115.2171.3-70.4-178.1-178.4175.30107.8T852T852-K854 PolarHBondContact O-N 3.27Å
855P66.3Low72.4Confident50 Ų5096.2 Ų96.233%0.32553%0.532SS..PPolyproline II helixtrans-64.7141.8176.627.2-33.9000110.1Y767 Y853Y767-P855 HydrophobicContact CD1-CG 3.69Å; Y767-P855 VanDerWaalsContact CE1-CD 3.42Å; Y767-P855 HydrophobicContact CE1-CG 3.79Å; Y853-P855 HydrophobicContact CE1-CB 4.15Å
856D66.7Low72.4Confident124 Ų12495.9 Ų95.966%0.66354%0.543SS*.PPolyproline II helixtrans-58.9141.8174-68.5-35.1000111S858 Q861D856-S858 PolarHBondContact O-N 3.31Å; D856-Q861 HydrophobicContact CB-CG 4.42Å
857S64.4Low72.6Confident71 Ų7198.5 Ų98.550%0.49755%0.546SS..PPolyproline II helixtrans-60.1139.1174.4178.70000109.7V859 A860 Q861S857-V859 PolarHBondContact O-N 2.97Å; S857-A860 WeakPolarHBondContact O-CA 3Å; S857-A860 WeakPolarHBondContact O-CB 3.08Å; S857-A860 PolarHBondContact O-N 3.16Å; S857-Q861 PolarHBondContact O-N 3.18Å
858S64.1Low72.6Confident38 Ų3892.8 Ų92.827%0.26652%0.516SS..THydrogen-bonded Turntrans-53.3-26178.960.10000114.2D856 H937D856-S858 PolarHBondContact O-N 3.31Å; S858-H937 WeakPolarHBondContact CB-ND1 3.48Å; S858-H937 PolarHBondContact OG-CE1 2.75Å; S858-H937 PolarHBondContact OG-ND1 2.57Å
859V67Low72.7Confident17 Ų1790.2 Ų90.210%0.10351%0.507CS..THydrogen-bonded Turntrans-76.9-31177.3-179.40000111.7S857 Q861 N862 K934 Y935 N946 A949S857-V859 PolarHBondContact O-N 2.97Å; V859-Q861 VanDerWaalsContact C-N 3.27Å; V859-Q861 PolarHBondContact O-N 3.41Å; V859-N862 PolarHBondContact O-N 3.06Å; V859-K934 WeakPolarHBondContact CG1-O 3.47Å; V859-Y935 HydrophobicContact CG1-CD1 3.72Å; V859-Y935 HydrophobicContact CG1-CE1 4.11Å; V859-N946 HydrophobicContact CG2-CB 3.92Å; V859-A949 HydrophobicContact CB-CB 4.3Å; V859-A949 HydrophobicContact CG1-CB 4.24Å; V859-A949 HydrophobicContact CG2-CB 3.74Å
860A66.2Low73.3Confident73 Ų7388.2 Ų88.260%0.60350%0.496SS*.THydrogen-bonded Turntrans-72.7-21.3176.900000112.6S857 N862S857-A860 WeakPolarHBondContact O-CA 3Å; S857-A860 WeakPolarHBondContact O-CB 3.08Å; S857-A860 PolarHBondContact O-N 3.16Å; A860-N862 VanDerWaalsContact C-N 3.27Å; A860-N862 PolarHBondContact O-N 3.16Å
861Q62.2Low73.9Confident111 Ų11185.2 Ų85.252%0.51948%0.477SS..THydrogen-bonded Turntrans-77.2-11.5176.3-63.9-178.8-12.900113.1D856 S857 V859 H863D856-Q861 HydrophobicContact CB-CG 4.42Å; S857-Q861 PolarHBondContact O-N 3.18Å; V859-Q861 VanDerWaalsContact C-N 3.27Å; V859-Q861 PolarHBondContact O-N 3.41Å; Q861-H863 PolarHBondContact O-N 3.45Å; Q861-H863 VanDerWaalsContact O-N 3.17Å
862N71.2Confident74.7Confident48 Ų4880.8 Ų80.826%0.25745%0.446SS..  trans-73.9109.2178.8-67.6-28.6000109.8V859 A860 L864 K934 C936V859-N862 PolarHBondContact O-N 3.06Å; A860-N862 VanDerWaalsContact C-N 3.27Å; A860-N862 PolarHBondContact O-N 3.16Å; N862-L864 HydrophobicContact CB-CD1 4.09Å; N862-L864 WeakPolarHBondContact O-CD1 3.18Å; N862-L864 PolarHBondContact O-N 2.95Å; N862-K934 PolarHBondContact ND2-O 3.05Å; N862-C936 PolarHBondContact ND2-N 3.34Å; N862-C936 PolarHBondContact ND2-O 3.21Å
863H70.3Confident75.6Confident190 Ų19078.8 Ų78.888%0.8843%0.431SS*.  trans-79.9105.6174.3-62.7-61.2000110.4Q861Q861-H863 PolarHBondContact O-N 3.45Å; Q861-H863 VanDerWaalsContact O-N 3.17Å
864L73.4Confident76.2Confident45 Ų4579.7 Ų79.724%0.23644%0.438CS..  trans-93.5140.2172.5-72.388.2000110.3N862 L868 A869 C933 K934N862-L864 HydrophobicContact CB-CD1 4.09Å; N862-L864 WeakPolarHBondContact O-CD1 3.18Å; N862-L864 PolarHBondContact O-N 2.95Å; L864-L868 HydrophobicContact CB-CB 4.43Å; L864-L868 HydrophobicContact CD2-CB 4.17Å; L864-A869 HydrophobicContact CB-CB 4.22Å; L864-C933 HydrophobicContact CD2-CB 4.15Å; L864-C933 HydrophobicContact CG-CB 4.4Å; L864-K934 HydrophobicContact CD1-CB 4.14Å; L864-K934 HydrophobicContact CD1-CG 4.29Å; L864-K934 HydrophobicContact CD2-CB 3.81Å; L864-K934 HydrophobicContact CD2-CG 4.46Å
865T82.7Confident77.2Confident86 Ų8671.9 Ų71.953%0.52840%0.403SS..  trans-58.8148164.856.50000109.9E867 L868 A869T865-E867 PolarHBondContact O-N 2.82Å; T865-E867 VanDerWaalsContact O-N 3.1Å; T865-L868 PolarHBondContact O-N 3.35Å; T865-L868 WeakPolarHBondContact OG1-CB 3.21Å; T865-L868 WeakPolarHBondContact OG1-CD1 3.31Å; T865-L868 VanDerWaalsContact OG1-CG 3.24Å; T865-L868 WeakPolarHBondContact OG1-CG 3.17Å; T865-L868 PolarHBondContact OG1-N 3.41Å; T865-A869 PolarHBondContact O-N 3.34Å
866A82.1Confident78.4Confident87 Ų8769.9 Ų69.972%0.71939%0.39SS*.Hα-helixtrans-53.6-35.5-178.600000113.7K870A866-K870 WeakPolarHBondContact O-CB 3.5Å; A866-K870 PolarHBondContact O-N 3.11Å
867E83.6Confident79.5Confident162 Ų16269.3 Ų69.376%0.75739%0.386SS*.Hα-helixtrans-65.2-49.1175.7-63.4-177.6177.700112.2T865 K870 S871T865-E867 PolarHBondContact O-N 2.82Å; T865-E867 VanDerWaalsContact O-N 3.1Å; E867-K870 PolarHBondContact O-N 3.2Å; E867-S871 PolarHBondContact O-N 3.34Å; E867-S871 PolarHBondContact O-OG 3.08Å
868L84.7Confident80.7Confident50 Ų5069.8 Ų69.826%0.26238%0.38SS..Hα-helixtrans-65-38.4176.5-69.9174.9000112.1L864 T865 S871 A872 A930L864-L868 HydrophobicContact CB-CB 4.43Å; L864-L868 HydrophobicContact CD2-CB 4.17Å; T865-L868 PolarHBondContact O-N 3.35Å; T865-L868 WeakPolarHBondContact OG1-CB 3.21Å; T865-L868 WeakPolarHBondContact OG1-CD1 3.31Å; T865-L868 VanDerWaalsContact OG1-CG 3.24Å; T865-L868 WeakPolarHBondContact OG1-CG 3.17Å; T865-L868 PolarHBondContact OG1-N 3.41Å; L868-S871 PolarHBondContact O-N 3.47Å; L868-A872 WeakPolarHBondContact O-CB 3.32Å; L868-A872 PolarHBondContact O-N 2.61Å; L868-A930 HydrophobicContact CD2-CB 4.15Å; L868-A930 WeakPolarHBondContact O-CB 3.49Å
869A84.2Confident81.9Confident32 Ų3268 Ų6826%0.26437%0.367SS..Hα-helixtrans-60.3-47175.600000110.9L864 T865 S871 A872 D873L864-A869 HydrophobicContact CB-CB 4.22Å; T865-A869 PolarHBondContact O-N 3.34Å; A869-S871 PolarHBondContact O-N 3.04Å; A869-A872 PolarHBondContact O-N 2.8Å; A869-D873 VanDerWaalsContact O-CG 3.3Å; A869-D873 PolarHBondContact O-N 3.03Å
870K88.1Confident83Confident135 Ų13567.3 Ų67.359%0.58736%0.363SS*.Hα-helixtrans-61.3-44.4175.8-171.1-178.5177.8-1730112.2A866 E867 A872 D873 E874A866-K870 WeakPolarHBondContact O-CB 3.5Å; A866-K870 PolarHBondContact O-N 3.11Å; E867-K870 PolarHBondContact O-N 3.2Å; K870-A872 VanDerWaalsContact C-N 3.34Å; K870-A872 PolarHBondContact O-N 3.09Å; K870-D873 PolarHBondContact O-N 3.42Å; K870-E874 VanDerWaalsContact CE-OE1 3.29Å; K870-E874 WeakPolarHBondContact CE-OE1 3.26Å; K870-E874 WeakPolarHBondContact O-CG 2.93Å; K870-E874 PolarHBondContact O-N 3.1Å
871S89.2Confident84Confident29 Ų2966.7 Ų66.720%0.20336%0.358CS..Hα-helixtrans-64.4-35.5175.8-67.40000112.9E867 L868 A869 A875E867-S871 PolarHBondContact O-N 3.34Å; E867-S871 PolarHBondContact O-OG 3.08Å; L868-S871 PolarHBondContact O-N 3.47Å; A869-S871 PolarHBondContact O-N 3.04Å; S871-A875 WeakPolarHBondContact O-CB 3.48Å; S871-A875 PolarHBondContact O-N 3.46Å
872A87.4Confident85.2Confident0 Ų063.3 Ų63.30%034%0.341CS..Hα-helixtrans-66.7-41174.700000111.2L868 A869 K870 A875 I876 A930 K934L868-A872 WeakPolarHBondContact O-CB 3.32Å; L868-A872 PolarHBondContact O-N 2.61Å; A869-A872 PolarHBondContact O-N 2.8Å; K870-A872 VanDerWaalsContact C-N 3.34Å; K870-A872 PolarHBondContact O-N 3.09Å; A872-A875 WeakPolarHBondContact O-CB 3.25Å; A872-A875 PolarHBondContact O-N 3.29Å; A872-I876 WeakPolarHBondContact O-CD1 3.26Å; A872-I876 WeakPolarHBondContact O-CG1 3.36Å; A872-I876 PolarHBondContact O-N 3.33Å; A872-A930 HydrophobicContact CB-CB 3.97Å; A872-K934 HydrophobicContact CB-CB 4.37Å; A872-K934 HydrophobicContact CB-CD 3.8Å
873D88.2Confident86Confident77 Ų7761 Ų6141%0.41233%0.329SS..Hα-helixtrans-69.5-39.5178.6-65.1-19000111.8A869 K870 A875 I876 L877 K934A869-D873 VanDerWaalsContact O-CG 3.3Å; A869-D873 PolarHBondContact O-N 3.03Å; K870-D873 PolarHBondContact O-N 3.42Å; D873-A875 VanDerWaalsContact C-N 3.32Å; D873-A875 PolarHBondContact O-N 2.82Å; D873-I876 PolarHBondContact O-N 3.36Å; D873-L877 WeakPolarHBondContact O-CB 3.05Å; D873-L877 VanDerWaalsContact O-CG 3.31Å; D873-L877 WeakPolarHBondContact O-CG 3.13Å; D873-L877 PolarHBondContact O-N 2.69Å; D873-K934 IonicContact OD1-NZ 2.74Å; D873-K934 PolarHBondContact OD1-NZ 3.15Å
874E89.7Confident86.8Confident84 Ų8458.2 Ų58.239%0.39332%0.315SS..Hα-helixtrans-59.5-42.3170.7-74.3174.8-171.500111.5K870 L877 K878K870-E874 VanDerWaalsContact CE-OE1 3.29Å; K870-E874 WeakPolarHBondContact CE-OE1 3.26Å; K870-E874 WeakPolarHBondContact O-CG 2.93Å; K870-E874 PolarHBondContact O-N 3.1Å; E874-L877 PolarHBondContact O-N 2.99Å; E874-K878 WeakPolarHBondContact O-CG 3.3Å; E874-K878 PolarHBondContact O-N 3.01Å
875A89.8Confident87.5Confident0 Ų063.5 Ų63.50%034%0.338CS..Hα-helixtrans-63-46.9175.600000112.1S871 A872 D873 L877 K878 I879 L923 E927 L931S871-A875 WeakPolarHBondContact O-CB 3.48Å; S871-A875 PolarHBondContact O-N 3.46Å; A872-A875 WeakPolarHBondContact O-CB 3.25Å; A872-A875 PolarHBondContact O-N 3.29Å; D873-A875 VanDerWaalsContact C-N 3.32Å; D873-A875 PolarHBondContact O-N 2.82Å; A875-L877 VanDerWaalsContact C-N 3.34Å; A875-L877 PolarHBondContact O-N 3.12Å; A875-K878 PolarHBondContact O-N 3.29Å; A875-I879 VanDerWaalsContact O-CG1 3.24Å; A875-I879 WeakPolarHBondContact O-CG1 2.82Å; A875-I879 PolarHBondContact O-N 3.28Å; A875-L923 HydrophobicContact CB-CD2 3.71Å; A875-E927 HydrophobicContact CB-CB 3.83Å; A875-E927 HydrophobicContact CB-CG 4.05Å; A875-L931 HydrophobicContact CB-CD1 3.96Å; A875-L931 HydrophobicContact CB-CD2 4.13Å; A875-L931 HydrophobicContact CB-CG 3.94Å
876I90.3Very high87.6Confident9 Ų966 Ų665%0.04634%0.338CS..Hα-helixtrans-60.4-44.4177.8-69.1160.7000110.3A872 D873 K878 I879 A880 L931 K934 Y935 I954 A957A872-I876 WeakPolarHBondContact O-CD1 3.26Å; A872-I876 WeakPolarHBondContact O-CG1 3.36Å; A872-I876 PolarHBondContact O-N 3.33Å; D873-I876 PolarHBondContact O-N 3.36Å; I876-K878 PolarHBondContact O-N 2.97Å; I876-I879 PolarHBondContact O-N 3.35Å; I876-A880 WeakPolarHBondContact O-CB 3Å; I876-A880 PolarHBondContact O-N 3.32Å; I876-L931 HydrophobicContact CG1-CD2 3.97Å; I876-K934 HydrophobicContact CD1-CD 4.15Å; I876-Y935 HydrophobicContact CD1-CE2 4.34Å; I876-Y935 VanDerWaalsContact CD1-OH 3.23Å; I876-Y935 WeakPolarHBondContact CD1-OH 3.43Å; I876-I954 HydrophobicContact CG2-CG1 4.17Å; I876-A957 HydrophobicContact CG2-CB 3.96Å
877L90.3Very high87.7Confident111 Ų11172.6 Ų72.658%0.58134%0.344SS*.Hα-helixtrans-63.1-41.6177.9-73.1171.6000112.4D873 E874 A875 A880 A881D873-L877 WeakPolarHBondContact O-CB 3.05Å; D873-L877 VanDerWaalsContact O-CG 3.31Å; D873-L877 WeakPolarHBondContact O-CG 3.13Å; D873-L877 PolarHBondContact O-N 2.69Å; E874-L877 PolarHBondContact O-N 2.99Å; A875-L877 VanDerWaalsContact C-N 3.34Å; A875-L877 PolarHBondContact O-N 3.12Å; L877-A880 PolarHBondContact O-N 3.17Å; L877-A881 WeakPolarHBondContact O-CB 3.21Å; L877-A881 PolarHBondContact O-N 2.98Å
878K89.4Confident87.7Confident82 Ų8266.3 Ų66.336%0.35732%0.315SS..Hα-helixtrans-62.2-44.2175.4-74.7172.5179.7178.40111.9E874 A875 I876 K882 E927E874-K878 WeakPolarHBondContact O-CG 3.3Å; E874-K878 PolarHBondContact O-N 3.01Å; A875-K878 PolarHBondContact O-N 3.29Å; I876-K878 PolarHBondContact O-N 2.97Å; K878-K882 PolarHBondContact O-N 2.51Å; K878-E927 WeakPolarHBondContact CD-OE1 3.33Å; K878-E927 WeakPolarHBondContact CE-OE1 2.85Å; K878-E927 VanDerWaalsContact NZ-CD 3.34Å; K878-E927 IonicContact NZ-OE1 3.2Å; K878-E927 PolarHBondContact NZ-OE1 2.58Å; K878-E927 IonicContact NZ-OE2 3.78Å; K878-E927 PolarHBondContact NZ-OE2 2.75Å
879I89.7Confident87.7Confident0 Ų069.4 Ų69.40%033%0.332CS..Hα-helixtrans-67.9-46.4178.5-62.2167.1000109.9A875 I876 A881 K882 V883 L914 L919 L923 L931 F950 I954A875-I879 VanDerWaalsContact O-CG1 3.24Å; A875-I879 WeakPolarHBondContact O-CG1 2.82Å; A875-I879 PolarHBondContact O-N 3.28Å; I876-I879 PolarHBondContact O-N 3.35Å; I879-A881 VanDerWaalsContact C-N 3.33Å; I879-A881 PolarHBondContact O-N 3.4Å; I879-K882 PolarHBondContact O-N 2.89Å; I879-K882 VanDerWaalsContact O-N 3.15Å; I879-V883 HydrophobicContact CG2-CG2 4.05Å; I879-V883 WeakPolarHBondContact O-CB 3.31Å; I879-V883 VanDerWaalsContact O-CG2 3.28Å; I879-V883 WeakPolarHBondContact O-CG2 3.16Å; I879-V883 PolarHBondContact O-N 2.67Å; I879-L914 HydrophobicContact CD1-CD1 4.49Å; I879-L919 HydrophobicContact CG2-CD1 4.19Å; I879-L923 HydrophobicContact CD1-CD1 3.72Å; I879-L923 HydrophobicContact CD1-CD2 4.22Å; I879-L923 HydrophobicContact CG1-CD1 4.05Å; I879-L923 HydrophobicContact CG1-CD2 4.15Å; I879-L923 HydrophobicContact CG1-CG 4.44Å; I879-L931 HydrophobicContact CD1-CD1 3.97Å; I879-F950 HydrophobicContact CD1-CE2 4.06Å; I879-F950 HydrophobicContact CD1-CZ 3.84Å; I879-I954 HydrophobicContact CB-CD1 4.27Å; I879-I954 HydrophobicContact CG2-CD1 3.6Å; I879-I954 HydrophobicContact CG2-CG1 4.34Å; I879-I954 HydrophobicContact CG2-CG2 4.49Å
880A89.8Confident87.8Confident3 Ų367.9 Ų67.93%0.02532%0.319CS..Hα-helixtrans-59.2-40.6178.200000112.3I876 L877 V883 K884 I954 A957 A958I876-A880 WeakPolarHBondContact O-CB 3Å; I876-A880 PolarHBondContact O-N 3.32Å; L877-A880 PolarHBondContact O-N 3.17Å; A880-V883 PolarHBondContact O-N 2.9Å; A880-K884 VanDerWaalsContact O-CB 3.26Å; A880-K884 WeakPolarHBondContact O-CB 3.42Å; A880-K884 PolarHBondContact O-N 2.81Å; A880-I954 HydrophobicContact CB-CG2 4.3Å; A880-A957 HydrophobicContact CB-CB 3.87Å; A880-A958 HydrophobicContact CB-CB 4.31Å
881A88.2Confident87.7Confident60 Ų6065.2 Ų65.250%0.49631%0.311SS..Hα-helixtrans-61.4-44.5175.100000112.2L877 I879 Q885L877-A881 WeakPolarHBondContact O-CB 3.21Å; L877-A881 PolarHBondContact O-N 2.98Å; I879-A881 VanDerWaalsContact C-N 3.33Å; I879-A881 PolarHBondContact O-N 3.4Å; A881-Q885 WeakPolarHBondContact O-CB 3.07Å; A881-Q885 PolarHBondContact O-N 3.41Å
882K86.9Confident87.5Confident39 Ų3967.1 Ų67.117%0.1732%0.322CS..Hα-helixtrans-67.7-41.5176.3-78-174.4168.9-177.40112.6K878 I879 K884 Q885 R886 G918 L919 S922K878-K882 PolarHBondContact O-N 2.51Å; I879-K882 PolarHBondContact O-N 2.89Å; I879-K882 VanDerWaalsContact O-N 3.15Å; K882-K884 VanDerWaalsContact C-N 3.35Å; K882-Q885 PolarHBondContact O-N 2.58Å; K882-R886 WeakPolarHBondContact O-CB 3.22Å; K882-R886 PolarHBondContact O-N 3.01Å; K882-G918 PolarHBondContact NZ-O 3.27Å; K882-G918 VanDerWaalsContact NZ-O 3.12Å; K882-L919 HydrophobicContact CB-CD2 3.58Å; K882-L919 HydrophobicContact CD-CD2 4.07Å; K882-S922 VanDerWaalsContact CE-OG 3.27Å; K882-S922 WeakPolarHBondContact CE-OG 3.44Å; K882-S922 VanDerWaalsContact NZ-CB 3.34Å; K882-S922 PolarHBondContact NZ-OG 3.05Å
883V88.2Confident87.5Confident1 Ų169.6 Ų69.61%0.00634%0.335CS..Hα-helixtrans-62.1-43.9177.1168.80000110.2I879 A880 R887 I888 L890 L919 I954 Y955I879-V883 HydrophobicContact CG2-CG2 4.05Å; I879-V883 WeakPolarHBondContact O-CB 3.31Å; I879-V883 VanDerWaalsContact O-CG2 3.28Å; I879-V883 WeakPolarHBondContact O-CG2 3.16Å; I879-V883 PolarHBondContact O-N 2.67Å; A880-V883 PolarHBondContact O-N 2.9Å; V883-R887 VanDerWaalsContact O-CA 3.23Å; V883-R887 WeakPolarHBondContact O-CA 3.33Å; V883-R887 PolarHBondContact O-N 3.13Å; V883-I888 PolarHBondContact O-N 3.32Å; V883-L890 HydrophobicContact CG2-CD1 4.23Å; V883-L890 HydrophobicContact CG2-CD2 4.1Å; V883-L890 HydrophobicContact CG2-CG 4.32Å; V883-L919 HydrophobicContact CG2-CD1 4.07Å; V883-L919 HydrophobicContact CG2-CD2 4.17Å; V883-I954 HydrophobicContact CB-CG2 4.43Å; V883-I954 HydrophobicContact CG1-CG2 4.46Å; V883-I954 HydrophobicContact CG2-CG2 4.25Å; V883-Y955 HydrophobicContact CG1-CE1 4.37Å
884K87.1Confident87.6Confident130 Ų13066 Ų6657%0.56532%0.315SS*.Hα-helixtrans-64.7-42.7175.4-172.8173.5-169.7154.40112.6A880 K882 A958A880-K884 VanDerWaalsContact O-CB 3.26Å; A880-K884 WeakPolarHBondContact O-CB 3.42Å; A880-K884 PolarHBondContact O-N 2.81Å; K882-K884 VanDerWaalsContact C-N 3.35Å; K884-A958 HydrophobicContact CB-CB 4.41Å; K884-A958 WeakPolarHBondContact CD-O 2.85Å; K884-A958 PolarHBondContact NZ-O 3Å
885Q87Confident87.4Confident157 Ų15764.2 Ų64.273%0.73431%0.312SS*.Hα-helixtrans-66.1-43.2179.8-174.5-176.410.900112.3A881 K882A881-Q885 WeakPolarHBondContact O-CB 3.07Å; A881-Q885 PolarHBondContact O-N 3.41Å; K882-Q885 PolarHBondContact O-N 2.58Å
886R86.3Confident87.4Confident137 Ų13769.5 Ų69.552%0.51734%0.34SS..Hα-helixtrans-95.1-8.1-175-65.5-178.5179.9-176.2-0.3114K882 I888K882-R886 WeakPolarHBondContact O-CB 3.22Å; K882-R886 PolarHBondContact O-N 3.01Å; R886-I888 HydrophobicContact CB-CD1 3.61Å; R886-I888 HydrophobicContact CB-CG1 3.62Å; R886-I888 HydrophobicContact CG-CD1 4.29Å; R886-I888 PolarHBondContact O-N 2.69Å
887R83.6Confident87.1Confident227 Ų22771.4 Ų71.486%0.85735%0.348SS*.THydrogen-bonded Turntrans51.650.4-173.8-61-177.3176.4-177.2-2.1112.5V883V883-R887 VanDerWaalsContact O-CA 3.23Å; V883-R887 WeakPolarHBondContact O-CA 3.33Å; V883-R887 PolarHBondContact O-N 3.13Å
888I83.5Confident87Confident29 Ų2966.2 Ų66.215%0.14932%0.321CS..  trans-84.4129.6-177.5-64.4165.1000110V883 R886 L890 L917 L919V883-I888 PolarHBondContact O-N 3.32Å; R886-I888 HydrophobicContact CB-CD1 3.61Å; R886-I888 HydrophobicContact CB-CG1 3.62Å; R886-I888 HydrophobicContact CG-CD1 4.29Å; R886-I888 PolarHBondContact O-N 2.69Å; I888-L890 HydrophobicContact CG2-CD2 4.25Å; I888-L917 HydrophobicContact CG2-CD1 4.15Å; I888-L917 HydrophobicContact CG2-CD2 3.86Å; I888-L917 HydrophobicContact CG2-CG 4.49Å; I888-L919 HydrophobicContact CD1-CD2 4.16Å
889L84.7Confident86.6Confident115 Ų11570.7 Ų70.760%0.60234%0.344SS*.  trans-84.1115.1168.6-64.3172.8000109.3P892L889-P892 HydrophobicContact CB-CG 4.22Å
890L85.5Confident86.2Confident0 Ų074.7 Ų74.70%037%0.368CS..  trans-79-36.8-177.7-65.5178.4000112.6V883 I888 M893 F894 L917 L919 I951 I954 Y955V883-L890 HydrophobicContact CG2-CD1 4.23Å; V883-L890 HydrophobicContact CG2-CD2 4.1Å; V883-L890 HydrophobicContact CG2-CG 4.32Å; I888-L890 HydrophobicContact CG2-CD2 4.25Å; L890-M893 PolarHBondContact O-N 2.83Å; L890-F894 HydrophobicContact CB-CD2 4.46Å; L890-F894 HydrophobicContact CB-CE2 4.44Å; L890-F894 WeakPolarHBondContact O-CD2 3.06Å; L890-F894 PolarHBondContact O-N 3.37Å; L890-L917 HydrophobicContact CD2-CD1 3.77Å; L890-L919 HydrophobicContact CD2-CD1 3.54Å; L890-I951 HydrophobicContact CB-CD1 4.14Å; L890-I951 HydrophobicContact CB-CG1 3.94Å; L890-I951 HydrophobicContact CD1-CG1 4.27Å; L890-I954 HydrophobicContact CD1-CB 4.3Å; L890-I954 HydrophobicContact CD1-CD1 3.92Å; L890-I954 HydrophobicContact CD1-CG2 3.89Å; L890-Y955 HydrophobicContact CD1-CE1 4.46Å; L890-Y955 PolarHBondContact N-OH 3.35Å
891L86.2Confident85.7Confident80 Ų8081.3 Ų81.342%0.41940%0.398SS..Hα-helixtrans-57.5-44.8-170.5-166.972.3000114.3M893 F894 S895 Y947 I951L891-M893 PolarHBondContact O-N 2.7Å; L891-F894 PolarHBondContact O-N 3.07Å; L891-S895 PolarHBondContact O-N 3.03Å; L891-Y947 HydrophobicContact CD1-CE2 4.21Å; L891-I951 HydrophobicContact CB-CD1 4.3Å; L891-I951 HydrophobicContact CD1-CD1 3.76Å
892P86.4Confident85.3Confident68 Ų6886.4 Ų86.444%0.44241%0.405SS..Hα-helixtrans-59.5-43.5-177.8-24.635.5000112.9L889 F894 S895 D896L889-P892 HydrophobicContact CB-CG 4.22Å; P892-F894 VanDerWaalsContact C-N 3.33Å; P892-F894 PolarHBondContact O-N 2.8Å; P892-S895 WeakPolarHBondContact O-CB 3.43Å; P892-S895 PolarHBondContact O-N 3.09Å; P892-D896 PolarHBondContact O-N 3.19Å; P892-D896 VanDerWaalsContact O-N 3.16Å
893M87Confident85.1Confident53 Ų5388.4 Ų88.426%0.26142%0.417SS..Hα-helixtrans-68.5-31-177.6-64-60.8-57.800113.1L890 L891 F897 V913 T916 L917L890-M893 PolarHBondContact O-N 2.83Å; L891-M893 PolarHBondContact O-N 2.7Å; M893-F897 WeakPolarHBondContact O-CD2 3.36Å; M893-V913 HydrophobicContact CB-CG1 3.79Å; M893-T916 HydrophobicContact CE-CG2 4.2Å; M893-L917 HydrophobicContact CB-CD1 4.37Å; M893-L917 HydrophobicContact CG-CD1 4.13Å; M893-L917 HydrophobicContact CG-CD2 3.89Å; M893-L917 HydrophobicContact CG-CG 4.19Å
894F89.7Confident85Confident0 Ų089 Ų890%042%0.42CS..Hα-helixtrans-75.9-36.9173.8-78.4-71000111.7L890 L891 P892 D896 F897 D898 V905 F910 V913 L914 Y947 F950 I951L890-F894 HydrophobicContact CB-CD2 4.46Å; L890-F894 HydrophobicContact CB-CE2 4.44Å; L890-F894 WeakPolarHBondContact O-CD2 3.06Å; L890-F894 PolarHBondContact O-N 3.37Å; L891-F894 PolarHBondContact O-N 3.07Å; P892-F894 VanDerWaalsContact C-N 3.33Å; P892-F894 PolarHBondContact O-N 2.8Å; F894-D896 PolarHBondContact O-N 3.4Å; F894-F897 PolarHBondContact O-N 2.72Å; F894-F897 VanDerWaalsContact O-N 3.09Å; F894-D898 PolarHBondContact O-N 3.22Å; F894-V905 HydrophobicContact CD1-CG1 4.38Å; F894-V905 HydrophobicContact CD1-CG2 4.06Å; F894-V905 HydrophobicContact CE1-CG2 4.18Å; F894-F910 AromaticContact CE1-CD2 3.46Å; F894-F910 HydrophobicContact CE1-CD2 3.46Å; F894-F910 VanDerWaalsContact CE1-CD2 3.46Å; F894-F910 AromaticContact CE1-CE2 3.95Å; F894-F910 HydrophobicContact CE1-CE2 3.95Å; F894-F910 HydrophobicContact CE1-CG 4.33Å; F894-F910 AromaticContact CZ-CD2 3.76Å; F894-F910 HydrophobicContact CZ-CD2 3.76Å; F894-F910 AromaticContact CZ-CE2 3.77Å; F894-F910 HydrophobicContact CZ-CE2 3.77Å; F894-V913 HydrophobicContact CD1-CB 4.22Å; F894-V913 HydrophobicContact CD1-CG1 4.03Å; F894-V913 HydrophobicContact CD1-CG2 3.94Å; F894-V913 HydrophobicContact CD2-CG1 3.95Å; F894-V913 HydrophobicContact CE1-CB 3.82Å; F894-V913 HydrophobicContact CE1-CG1 3.77Å; F894-V913 HydrophobicContact CE1-CG2 4Å; F894-V913 HydrophobicContact CE2-CG1 3.71Å; F894-V913 HydrophobicContact CG-CG1 4.12Å; F894-V913 HydrophobicContact CZ-CB 4.06Å; F894-V913 HydrophobicContact CZ-CG1 3.62Å; F894-L914 HydrophobicContact CZ-CG 4.49Å; F894-Y947 HydrophobicContact CB-CD1 4.34Å; F894-Y947 HydrophobicContact CB-CD2 3.5Å; F894-Y947 HydrophobicContact CB-CE2 3.75Å; F894-Y947 HydrophobicContact CB-CG 3.83Å; F894-Y947 HydrophobicContact CD1-CD1 4.45Å; F894-Y947 HydrophobicContact CD1-CD2 4.35Å; F894-Y947 AromaticContact CD1-CG 3.91Å; F894-Y947 HydrophobicContact CD1-CG 3.91Å; F894-Y947 HydrophobicContact CD2-CD2 4.34Å; F894-Y947 AromaticContact CG-CD2 3.84Å; F894-Y947 HydrophobicContact CG-CD2 3.84Å; F894-Y947 AromaticContact CG-CG 3.88Å; F894-Y947 HydrophobicContact CG-CG 3.88Å; F894-F950 HydrophobicContact CE2-CD1 4.37Å; F894-F950 HydrophobicContact CE2-CE1 4.24Å; F894-F950 HydrophobicContact CZ-CD1 4.3Å; F894-F950 HydrophobicContact CZ-CE1 4.1Å; F894-I951 HydrophobicContact CD2-CD1 3.84Å; F894-I951 HydrophobicContact CD2-CG1 4.32Å; F894-I951 HydrophobicContact CE2-CD1 4.43Å; F894-I951 HydrophobicContact CE2-CG1 4.43Å
895S86.8Confident85.1Confident48 Ų4882.8 Ų82.834%0.33639%0.393SS..Hα-helixtrans-60.3-32.1176.3-167.70000112.5L891 P892 F897 D898L891-S895 PolarHBondContact O-N 3.03Å; P892-S895 WeakPolarHBondContact O-CB 3.43Å; P892-S895 PolarHBondContact O-N 3.09Å; S895-F897 VanDerWaalsContact C-N 3.26Å; S895-F897 PolarHBondContact O-N 2.89Å; S895-D898 PolarHBondContact O-N 3.46Å
896D87.9Confident85.1Confident110 Ų11078.9 Ų78.959%0.58838%0.377SS*.THydrogen-bonded Turntrans-64.9-26.5176.4-69.7-10.7000113.3P892 F894P892-D896 PolarHBondContact O-N 3.19Å; P892-D896 VanDerWaalsContact O-N 3.16Å; F894-D896 PolarHBondContact O-N 3.4Å
897F85.9Confident85.2Confident49 Ų4976 Ų7622%0.21537%0.37CS..THydrogen-bonded Turntrans-94.3-18.1177.7-72.5-78.1000113.6M893 F894 S895 V905 Q909 R912 V913M893-F897 WeakPolarHBondContact O-CD2 3.36Å; F894-F897 PolarHBondContact O-N 2.72Å; F894-F897 VanDerWaalsContact O-N 3.09Å; S895-F897 VanDerWaalsContact C-N 3.26Å; S895-F897 PolarHBondContact O-N 2.89Å; F897-V905 HydrophobicContact CB-CG1 4.09Å; F897-Q909 HydrophobicContact CB-CB 4.39Å; F897-Q909 HydrophobicContact CD1-CB 4.12Å; F897-Q909 HydrophobicContact CD1-CG 3.86Å; F897-Q909 HydrophobicContact CE1-CG 4.45Å; F897-Q909 HydrophobicContact CG-CB 4.23Å; F897-Q909 HydrophobicContact CG-CG 4.39Å; F897-R912 HydrophobicContact CZ-CG 4.14Å; F897-V913 HydrophobicContact CD2-CG2 3.28Å; F897-V913 HydrophobicContact CE2-CG2 3.33Å; F897-V913 HydrophobicContact CG-CG2 4.38Å; F897-V913 HydrophobicContact CZ-CG2 4.45Å
898D86.4Confident85.5Confident2 Ų268.6 Ų68.61%0.01135%0.353CS..  trans-102.168.9178-174.116.5000111.4F894 S895 T900 H901 R902 L903 V905 Y947F894-D898 PolarHBondContact O-N 3.22Å; S895-D898 PolarHBondContact O-N 3.46Å; D898-T900 PolarHBondContact O-N 3.41Å; D898-T900 VanDerWaalsContact O-N 3.08Å; D898-T900 PolarHBondContact OD1-N 2.85Å; D898-T900 PolarHBondContact OD1-OG1 3.43Å; D898-H901 PolarHBondContact O-N 3.14Å; D898-H901 VanDerWaalsContact O-N 3.09Å; D898-H901 PolarHBondContact OD1-N 3Å; D898-H901 WeakPolarHBondContact OD2-CA 3.36Å; D898-R902 PolarHBondContact OD1-N 2.65Å; D898-R902 VanDerWaalsContact OD1-N 3.08Å; D898-R902 PolarHBondContact OD2-N 3.19Å; D898-L903 WeakPolarHBondContact OD2-CA 3.2Å; D898-L903 PolarHBondContact OD2-N 3.45Å; D898-V905 HydrophobicContact CB-CG1 4.38Å; D898-Y947 HydrophobicContact CB-CE1 3.94Å; D898-Y947 PolarHBondContact OD2-OH 3.17Å
899E81.5Confident85.8Confident177 Ų17770.3 Ų70.383%0.82736%0.36SS*.THydrogen-bonded Turntrans-57.2-22172.7-63.6179.4-178.900112.4
900T82.3Confident86.1Confident84 Ų8464.8 Ų64.852%0.51533%0.332SS..THydrogen-bonded Turntrans-89.4-4.5-178.559.10000114.3D898 R902D898-T900 PolarHBondContact O-N 3.41Å; D898-T900 VanDerWaalsContact O-N 3.08Å; D898-T900 PolarHBondContact OD1-N 2.85Å; D898-T900 PolarHBondContact OD1-OG1 3.43Å; T900-R902 PolarHBondContact O-N 3.31Å; T900-R902 VanDerWaalsContact O-N 3.16Å; T900-R902 VanDerWaalsContact OG1-CD 3.31Å; T900-R902 WeakPolarHBondContact OG1-CD 3.41Å; T900-R902 VanDerWaalsContact OG1-CG 3.3Å; T900-R902 WeakPolarHBondContact OG1-CG 3.48Å
901H79.3Confident86.3Confident141 Ų14170.8 Ų70.865%0.65335%0.354SS*.  trans47.538.3-174-60.2-60.7000113.5D898 L903D898-H901 PolarHBondContact O-N 3.14Å; D898-H901 VanDerWaalsContact O-N 3.09Å; D898-H901 PolarHBondContact OD1-N 3Å; D898-H901 WeakPolarHBondContact OD2-CA 3.36Å; H901-L903 VanDerWaalsContact C-N 3.31Å
902R79.1Confident86.5Confident167 Ų16774.4 Ų74.463%0.6336%0.362SS*.SBendtrans-86.4-3.1179.4-70.4178.8-170.6-174.36.1113.2D898 T900 T904D898-R902 PolarHBondContact OD1-N 2.65Å; D898-R902 VanDerWaalsContact OD1-N 3.08Å; D898-R902 PolarHBondContact OD2-N 3.19Å; T900-R902 PolarHBondContact O-N 3.31Å; T900-R902 VanDerWaalsContact O-N 3.16Å; T900-R902 VanDerWaalsContact OG1-CD 3.31Å; T900-R902 WeakPolarHBondContact OG1-CD 3.41Å; T900-R902 VanDerWaalsContact OG1-CG 3.3Å; T900-R902 WeakPolarHBondContact OG1-CG 3.48Å; R902-T904 PolarHBondContact O-N 2.81Å
903L82.6Confident86.7Confident82 Ų8271.2 Ų71.243%0.42934%0.341SS..SBendtrans6322.9-174.7-51.4174.2000113.2D898 H901 Y947 Q948D898-L903 WeakPolarHBondContact OD2-CA 3.2Å; D898-L903 PolarHBondContact OD2-N 3.45Å; H901-L903 VanDerWaalsContact C-N 3.31Å; L903-Y947 VanDerWaalsContact CA-CE1 3.49Å; L903-Y947 WeakPolarHBondContact O-CD1 3.31Å; L903-Y947 PolarHBondContact O-N 3.16Å; L903-Q948 HydrophobicContact CB-CB 4.29Å
904T86.9Confident86.9Confident12 Ų1268.7 Ų68.77%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-136.4143.6-179.468.10000112R902 H937 V945R902-T904 PolarHBondContact O-N 2.81Å; T904-H937 HydrophobicContact CG2-CB 4.39Å; T904-V945 CarbonylContact C-O 3.57Å; T904-V945 VanDerWaalsContact CA-O 3.28Å; T904-V945 WeakPolarHBondContact CA-O 3.18Å
905V88.2Confident86.9Confident1 Ų172 Ų721%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-129.3155.7176.7-70.60000110.9F894 F897 D898 Q909 F910 V945 Y947F894-V905 HydrophobicContact CD1-CG1 4.38Å; F894-V905 HydrophobicContact CD1-CG2 4.06Å; F894-V905 HydrophobicContact CE1-CG2 4.18Å; F897-V905 HydrophobicContact CB-CG1 4.09Å; D898-V905 HydrophobicContact CB-CG1 4.38Å; V905-Q909 HydrophobicContact CB-CB 4.23Å; V905-F910 HydrophobicContact CG2-CB 3.94Å; V905-F910 HydrophobicContact CG2-CD2 4.1Å; V905-V945 HydrophobicContact CG2-CB 4.43Å; V905-V945 PolarHBondContact N-O 3.48Å; V905-V945 PolarHBondContact O-N 2.88Å; V905-Y947 HydrophobicContact CB-CD1 4.4Å; V905-Y947 HydrophobicContact CG1-CD1 3.75Å; V905-Y947 HydrophobicContact CG1-CE1 4.07Å; V905-Y947 HydrophobicContact CG2-CD1 4.07Å
906N88.2Confident87Confident74 Ų7474.3 Ų74.340%0.39636%0.361SS..EExtended strand (participates in β ladder)trans-65.8152.2173.3-173.6-10.7000110.7S908 Q909 F910N906-S908 PolarHBondContact ND2-OG 2.87Å; N906-S908 PolarHBondContact O-N 3.17Å; N906-Q909 HydrophobicContact CB-CB 4.39Å; N906-Q909 HydrophobicContact CB-CG 4.14Å; N906-Q909 WeakPolarHBondContact O-CB 3.33Å; N906-Q909 PolarHBondContact O-N 3.33Å; N906-Q909 VanDerWaalsContact O-N 3.08Å; N906-F910 WeakPolarHBondContact O-CB 3.28Å; N906-F910 PolarHBondContact O-N 2.89Å
907Q88.5Confident87Confident76 Ų7670.6 Ų70.636%0.35534%0.341SS..Hα-helixtrans-51.3-39.2175-65.4-176.5-6.300113.2R911 Y932 V945Q907-R911 WeakPolarHBondContact O-CB 3.24Å; Q907-R911 PolarHBondContact O-N 3.13Å; Q907-Y932 HydrophobicContact CB-CD1 4.12Å; Q907-Y932 HydrophobicContact CB-CE1 3.73Å; Q907-Y932 HydrophobicContact CG-CD1 3.87Å; Q907-Y932 HydrophobicContact CG-CE1 4.03Å; Q907-Y932 HydrophobicContact CG-CG 4.29Å; Q907-Y932 PolarHBondContact O-OH 2.8Å; Q907-V945 HydrophobicContact CG-CG2 3.98Å
908S88.7Confident86.9Confident73 Ų7368.8 Ų68.851%0.5134%0.337SS..Hα-helixtrans-69.8-4117859.60000112.6N906 R911 R912N906-S908 PolarHBondContact ND2-OG 2.87Å; N906-S908 PolarHBondContact O-N 3.17Å; S908-R911 PolarHBondContact O-N 2.87Å; S908-R912 WeakPolarHBondContact O-CB 3.33Å; S908-R912 PolarHBondContact O-N 3.16Å
909Q90.1Very high86.8Confident64 Ų6468.7 Ų68.730%0.29934%0.337SS..Hα-helixtrans-65.1-45.3174.6-67.8169.4-29.500110.4F897 V905 N906 R911 R912 V913F897-Q909 HydrophobicContact CB-CB 4.39Å; F897-Q909 HydrophobicContact CD1-CB 4.12Å; F897-Q909 HydrophobicContact CD1-CG 3.86Å; F897-Q909 HydrophobicContact CE1-CG 4.45Å; F897-Q909 HydrophobicContact CG-CB 4.23Å; F897-Q909 HydrophobicContact CG-CG 4.39Å; V905-Q909 HydrophobicContact CB-CB 4.23Å; N906-Q909 HydrophobicContact CB-CB 4.39Å; N906-Q909 HydrophobicContact CB-CG 4.14Å; N906-Q909 WeakPolarHBondContact O-CB 3.33Å; N906-Q909 PolarHBondContact O-N 3.33Å; N906-Q909 VanDerWaalsContact O-N 3.08Å; Q909-R911 VanDerWaalsContact C-N 3.32Å; Q909-R911 PolarHBondContact O-N 3.02Å; Q909-R912 WeakPolarHBondContact O-CB 3.4Å; Q909-R912 PolarHBondContact O-N 3.01Å; Q909-R912 VanDerWaalsContact O-N 3.1Å; Q909-V913 WeakPolarHBondContact O-CG2 3.39Å; Q909-V913 PolarHBondContact O-N 2.68Å
910F91.1Very high86.7Confident0 Ų060.7 Ų60.70%030%0.301CS..Hα-helixtrans-56-46174.9-175.3-98.3000112F894 V905 N906 R912 V913 L914 W928 Y932 V945 F950F894-F910 AromaticContact CE1-CD2 3.46Å; F894-F910 HydrophobicContact CE1-CD2 3.46Å; F894-F910 VanDerWaalsContact CE1-CD2 3.46Å; F894-F910 AromaticContact CE1-CE2 3.95Å; F894-F910 HydrophobicContact CE1-CE2 3.95Å; F894-F910 HydrophobicContact CE1-CG 4.33Å; F894-F910 AromaticContact CZ-CD2 3.76Å; F894-F910 HydrophobicContact CZ-CD2 3.76Å; F894-F910 AromaticContact CZ-CE2 3.77Å; F894-F910 HydrophobicContact CZ-CE2 3.77Å; V905-F910 HydrophobicContact CG2-CB 3.94Å; V905-F910 HydrophobicContact CG2-CD2 4.1Å; N906-F910 WeakPolarHBondContact O-CB 3.28Å; N906-F910 PolarHBondContact O-N 2.89Å; F910-R912 PolarHBondContact O-N 3.15Å; F910-V913 PolarHBondContact O-N 2.84Å; F910-L914 HydrophobicContact CD1-CD1 4.17Å; F910-L914 HydrophobicContact CE1-CD1 3.61Å; F910-L914 HydrophobicContact CE2-CD1 4.48Å; F910-L914 HydrophobicContact CZ-CD1 3.79Å; F910-L914 PolarHBondContact O-N 2.87Å; F910-W928 AromaticContact CD1-CZ3 3.84Å; F910-W928 HydrophobicContact CD1-CZ3 3.84Å; F910-W928 HydrophobicContact CE1-CE3 4.49Å; F910-W928 AromaticContact CE1-CZ3 3.87Å; F910-W928 HydrophobicContact CE1-CZ3 3.87Å; F910-Y932 HydrophobicContact CB-CE1 4.46Å; F910-Y932 HydrophobicContact CD1-CD1 4.25Å; F910-Y932 AromaticContact CD1-CE1 3.65Å; F910-Y932 HydrophobicContact CD1-CE1 3.65Å; F910-Y932 HydrophobicContact CE1-CE1 4.37Å; F910-Y932 HydrophobicContact CG-CE1 4.43Å; F910-V945 HydrophobicContact CB-CB 4.46Å; F910-V945 HydrophobicContact CB-CG2 4.35Å; F910-V945 HydrophobicContact CD1-CG1 4.49Å; F910-V945 HydrophobicContact CD2-CB 4.24Å; F910-V945 HydrophobicContact CD2-CG1 3.71Å; F910-V945 HydrophobicContact CE2-CG1 3.85Å; F910-V945 HydrophobicContact CG-CB 4.35Å; F910-V945 HydrophobicContact CG-CG1 4.06Å; F910-V945 HydrophobicContact CG-CG2 4.41Å; F910-V945 HydrophobicContact CZ-CG1 4.29Å; F910-F950 HydrophobicContact CE2-CB 4.44Å; F910-F950 AromaticContact CE2-CD1 3.55Å; F910-F950 HydrophobicContact CE2-CD1 3.55Å; F910-F950 HydrophobicContact CE2-CD2 4.32Å; F910-F950 AromaticContact CE2-CE1 3.68Å; F910-F950 HydrophobicContact CE2-CE1 3.68Å; F910-F950 HydrophobicContact CE2-CE2 4.43Å; F910-F950 AromaticContact CE2-CG 3.86Å; F910-F950 HydrophobicContact CE2-CG 3.86Å; F910-F950 HydrophobicContact CE2-CZ 4.11Å; F910-F950 AromaticContact CZ-CD1 3.81Å; F910-F950 HydrophobicContact CZ-CD1 3.81Å; F910-F950 AromaticContact CZ-CD2 3.86Å; F910-F950 HydrophobicContact CZ-CD2 3.86Å; F910-F950 AromaticContact CZ-CE1 3.65Å; F910-F950 HydrophobicContact CZ-CE1 3.65Å; F910-F950 AromaticContact CZ-CE2 3.7Å; F910-F950 HydrophobicContact CZ-CE2 3.7Å; F910-F950 AromaticContact CZ-CG 3.88Å; F910-F950 HydrophobicContact CZ-CG 3.88Å; F910-F950 AromaticContact CZ-CZ 3.56Å; F910-F950 HydrophobicContact CZ-CZ 3.56Å
911R90.8Very high86.6Confident125 Ų12564.5 Ų64.547%0.47231%0.313SS..Hα-helixtrans-61.9-43.7175.2-160.7171.5176.6174.2-0.1112Q907 S908 Q909 T915 W928 Y932Q907-R911 WeakPolarHBondContact O-CB 3.24Å; Q907-R911 PolarHBondContact O-N 3.13Å; S908-R911 PolarHBondContact O-N 2.87Å; Q909-R911 VanDerWaalsContact C-N 3.32Å; Q909-R911 PolarHBondContact O-N 3.02Å; R911-T915 WeakPolarHBondContact O-CB 3.34Å; R911-T915 PolarHBondContact O-N 3.17Å; R911-T915 PolarHBondContact O-OG1 3.39Å; R911-W928 HydrophobicContact CB-CH2 4.29Å; R911-W928 HydrophobicContact CB-CZ3 4.25Å; R911-W928 HydrophobicContact CG-CE3 4.41Å; R911-W928 HydrophobicContact CG-CH2 3.83Å; R911-W928 HydrophobicContact CG-CZ2 4Å; R911-W928 HydrophobicContact CG-CZ3 4.07Å; R911-Y932 WeakPolarHBondContact CB-OH 3.03Å
912R89.7Confident86.6Confident157 Ų15759.6 Ų59.659%0.59230%0.295SS*.Hα-helixtrans-62.4-46.2-179.8-178.4171.3159.9179.6-10.9111.3F897 S908 Q909 F910 L914 T915 T916F897-R912 HydrophobicContact CZ-CG 4.14Å; S908-R912 WeakPolarHBondContact O-CB 3.33Å; S908-R912 PolarHBondContact O-N 3.16Å; Q909-R912 WeakPolarHBondContact O-CB 3.4Å; Q909-R912 PolarHBondContact O-N 3.01Å; Q909-R912 VanDerWaalsContact O-N 3.1Å; F910-R912 PolarHBondContact O-N 3.15Å; R912-L914 PolarHBondContact O-N 3.28Å; R912-T915 PolarHBondContact O-N 2.9Å; R912-T916 WeakPolarHBondContact O-CB 3.48Å; R912-T916 PolarHBondContact O-N 3.43Å; R912-T916 PolarHBondContact O-OG1 3.32Å
913V90.7Very high86.9Confident0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-55.9-53.3177.9171.50000111.5M893 F894 F897 Q909 F910 T915 T916 L917M893-V913 HydrophobicContact CB-CG1 3.79Å; F894-V913 HydrophobicContact CD1-CB 4.22Å; F894-V913 HydrophobicContact CD1-CG1 4.03Å; F894-V913 HydrophobicContact CD1-CG2 3.94Å; F894-V913 HydrophobicContact CD2-CG1 3.95Å; F894-V913 HydrophobicContact CE1-CB 3.82Å; F894-V913 HydrophobicContact CE1-CG1 3.77Å; F894-V913 HydrophobicContact CE1-CG2 4Å; F894-V913 HydrophobicContact CE2-CG1 3.71Å; F894-V913 HydrophobicContact CG-CG1 4.12Å; F894-V913 HydrophobicContact CZ-CB 4.06Å; F894-V913 HydrophobicContact CZ-CG1 3.62Å; F897-V913 HydrophobicContact CD2-CG2 3.28Å; F897-V913 HydrophobicContact CE2-CG2 3.33Å; F897-V913 HydrophobicContact CG-CG2 4.38Å; F897-V913 HydrophobicContact CZ-CG2 4.45Å; Q909-V913 WeakPolarHBondContact O-CG2 3.39Å; Q909-V913 PolarHBondContact O-N 2.68Å; F910-V913 PolarHBondContact O-N 2.84Å; V913-T915 VanDerWaalsContact C-N 3.32Å; V913-T915 PolarHBondContact O-N 2.92Å; V913-T916 PolarHBondContact O-N 3.44Å; V913-L917 HydrophobicContact CG1-CD1 4.09Å; V913-L917 WeakPolarHBondContact O-CG 3.43Å; V913-L917 PolarHBondContact O-N 3.09Å; V913-L917 VanDerWaalsContact O-N 3.08Å
914L90.4Very high87.3Confident0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-67.3-32.5-178.6-72.3177.5000112.7I879 F894 F910 R912 G918 L919 G920 W928 F950I879-L914 HydrophobicContact CD1-CD1 4.49Å; F894-L914 HydrophobicContact CZ-CG 4.49Å; F910-L914 HydrophobicContact CD1-CD1 4.17Å; F910-L914 HydrophobicContact CE1-CD1 3.61Å; F910-L914 HydrophobicContact CE2-CD1 4.48Å; F910-L914 HydrophobicContact CZ-CD1 3.79Å; F910-L914 PolarHBondContact O-N 2.87Å; R912-L914 PolarHBondContact O-N 3.28Å; L914-G918 PolarHBondContact O-N 3.18Å; L914-L919 HydrophobicContact CB-CB 4.4Å; L914-L919 HydrophobicContact CD2-CB 4.02Å; L914-L919 HydrophobicContact CD2-CD1 3.78Å; L914-L919 CarbonylContact O-C 3.53Å; L914-L919 WeakPolarHBondContact O-CA 3.44Å; L914-L919 WeakPolarHBondContact O-CB 3.44Å; L914-L919 PolarHBondContact O-N 3.33Å; L914-G920 PolarHBondContact O-N 3.17Å; L914-W928 HydrophobicContact CB-CH2 3.73Å; L914-W928 HydrophobicContact CD1-CH2 3.52Å; L914-W928 HydrophobicContact CD1-CZ3 3.68Å; L914-W928 HydrophobicContact CG-CH2 4.25Å; L914-F950 HydrophobicContact CD1-CE1 4.31Å; L914-F950 HydrophobicContact CD1-CZ 3.88Å; L914-F950 HydrophobicContact CD2-CE1 4.08Å; L914-F950 HydrophobicContact CD2-CZ 4.08Å
915T89.9Confident87.2Confident71 Ų7158.4 Ų58.444%0.43630%0.299SS..Hα-helixtrans-69.7-45.3175.6-53.70000110.9R911 R912 V913 L917 G918R911-T915 WeakPolarHBondContact O-CB 3.34Å; R911-T915 PolarHBondContact O-N 3.17Å; R911-T915 PolarHBondContact O-OG1 3.39Å; R912-T915 PolarHBondContact O-N 2.9Å; V913-T915 VanDerWaalsContact C-N 3.32Å; V913-T915 PolarHBondContact O-N 2.92Å; T915-L917 VanDerWaalsContact C-N 3.26Å; T915-L917 PolarHBondContact O-N 3.46Å; T915-G918 PolarHBondContact O-N 2.9Å
916T89Confident87.2Confident95 Ų9566 Ų6658%0.58333%0.332SS*.Hα-helixtrans-60.2-35.6176.4-57.40000112.3M893 R912 V913 G918M893-T916 HydrophobicContact CE-CG2 4.2Å; R912-T916 WeakPolarHBondContact O-CB 3.48Å; R912-T916 PolarHBondContact O-N 3.43Å; R912-T916 PolarHBondContact O-OG1 3.32Å; V913-T916 PolarHBondContact O-N 3.44Å; T916-G918 PolarHBondContact O-N 3.31Å
917L87.3Confident87.3Confident32 Ų3262.7 Ų62.717%0.16831%0.314CS..THydrogen-bonded Turntrans-77.2-2.2175.6-70.2174.1000114I888 L890 M893 V913 T915 L919I888-L917 HydrophobicContact CG2-CD1 4.15Å; I888-L917 HydrophobicContact CG2-CD2 3.86Å; I888-L917 HydrophobicContact CG2-CG 4.49Å; L890-L917 HydrophobicContact CD2-CD1 3.77Å; M893-L917 HydrophobicContact CB-CD1 4.37Å; M893-L917 HydrophobicContact CG-CD1 4.13Å; M893-L917 HydrophobicContact CG-CD2 3.89Å; M893-L917 HydrophobicContact CG-CG 4.19Å; V913-L917 HydrophobicContact CG1-CD1 4.09Å; V913-L917 WeakPolarHBondContact O-CG 3.43Å; V913-L917 PolarHBondContact O-N 3.09Å; V913-L917 VanDerWaalsContact O-N 3.08Å; T915-L917 VanDerWaalsContact C-N 3.26Å; T915-L917 PolarHBondContact O-N 3.46Å; L917-L919 HydrophobicContact CB-CD1 3.86Å; L917-L919 HydrophobicContact CB-CG 3.89Å; L917-L919 HydrophobicContact CD1-CD1 4.05Å; L917-L919 PolarHBondContact O-N 2.82Å
918G84.8Confident87.3Confident12 Ų1259.7 Ų59.712%0.12430%0.299CS..THydrogen-bonded Turntrans68.418.1-174.800000113.9K882 L914 T915 T916K882-G918 PolarHBondContact NZ-O 3.27Å; K882-G918 VanDerWaalsContact NZ-O 3.12Å; L914-G918 PolarHBondContact O-N 3.18Å; T915-G918 PolarHBondContact O-N 2.9Å; T916-G918 PolarHBondContact O-N 3.31Å
919L84Confident87.3Confident0 Ų060.3 Ų60.30%030%0.296CS..  trans-87.5-27.7177.1-59.7173.7000111.2I879 K882 V883 I888 L890 L914 L917 E921 S922I879-L919 HydrophobicContact CG2-CD1 4.19Å; K882-L919 HydrophobicContact CB-CD2 3.58Å; K882-L919 HydrophobicContact CD-CD2 4.07Å; V883-L919 HydrophobicContact CG2-CD1 4.07Å; V883-L919 HydrophobicContact CG2-CD2 4.17Å; I888-L919 HydrophobicContact CD1-CD2 4.16Å; L890-L919 HydrophobicContact CD2-CD1 3.54Å; L914-L919 HydrophobicContact CB-CB 4.4Å; L914-L919 HydrophobicContact CD2-CB 4.02Å; L914-L919 HydrophobicContact CD2-CD1 3.78Å; L914-L919 CarbonylContact O-C 3.53Å; L914-L919 WeakPolarHBondContact O-CA 3.44Å; L914-L919 WeakPolarHBondContact O-CB 3.44Å; L914-L919 PolarHBondContact O-N 3.33Å; L917-L919 HydrophobicContact CB-CD1 3.86Å; L917-L919 HydrophobicContact CB-CG 3.89Å; L917-L919 HydrophobicContact CD1-CD1 4.05Å; L917-L919 PolarHBondContact O-N 2.82Å; L919-E921 PolarHBondContact O-N 3.48Å; L919-S922 PolarHBondContact O-OG 3.45Å; L919-S922 VanDerWaalsContact O-OG 3.1Å
920G79.2Confident87.2Confident8 Ų857.2 Ų57.28%0.08228%0.282CS..G310 helixtrans-70.4-26.3-177.700000115.6L914 S922 L923L914-G920 PolarHBondContact O-N 3.17Å; G920-S922 PolarHBondContact O-N 2.99Å; G920-L923 PolarHBondContact O-N 3.48Å
921E80.4Confident87Confident165 Ų16557.2 Ų57.277%0.77128%0.282SS*.G310 helixtrans-66.9-20.2-175.3-65.1178.417400114.1L919L919-E921 PolarHBondContact O-N 3.48Å
922S79.2Confident86.9Confident38 Ų3852.7 Ų52.727%0.26627%0.265SS..G310 helixtrans-91.9-3.8179.242.30000114.2K882 L919 G920K882-S922 VanDerWaalsContact CE-OG 3.27Å; K882-S922 WeakPolarHBondContact CE-OG 3.44Å; K882-S922 VanDerWaalsContact NZ-CB 3.34Å; K882-S922 PolarHBondContact NZ-OG 3.05Å; L919-S922 PolarHBondContact O-OG 3.45Å; L919-S922 VanDerWaalsContact O-OG 3.1Å; G920-S922 PolarHBondContact O-N 2.99Å
923L86.2Confident86.6Confident16 Ų1647.8 Ų47.88%0.08425%0.254CS..  trans-102126.9-173.6-63.5171.5000110.6A875 I879 G920 E927 W928 L931A875-L923 HydrophobicContact CB-CD2 3.71Å; I879-L923 HydrophobicContact CD1-CD1 3.72Å; I879-L923 HydrophobicContact CD1-CD2 4.22Å; I879-L923 HydrophobicContact CG1-CD1 4.05Å; I879-L923 HydrophobicContact CG1-CD2 4.15Å; I879-L923 HydrophobicContact CG1-CG 4.44Å; G920-L923 PolarHBondContact O-N 3.48Å; L923-E927 WeakPolarHBondContact CA-OE2 3.22Å; L923-E927 HydrophobicContact CB-CB 4.49Å; L923-E927 HydrophobicContact CD2-CB 4.24Å; L923-W928 HydrophobicContact CD1-CD2 4.47Å; L923-W928 HydrophobicContact CD1-CH2 4.23Å; L923-W928 HydrophobicContact CD1-CZ2 3.85Å; L923-L931 HydrophobicContact CD1-CD1 4.2Å
924T89.4Confident86.4Confident74 Ų7449.8 Ų49.845%0.45426%0.262SS..  trans-72.1159.2170.362.10000110.9K926 E927 W928T924-K926 PolarHBondContact O-N 3.15Å; T924-E927 WeakPolarHBondContact CB-OE2 3.15Å; T924-E927 PolarHBondContact N-OE2 2.92Å; T924-E927 WeakPolarHBondContact O-CB 3.14Å; T924-E927 PolarHBondContact O-N 2.84Å; T924-E927 VanDerWaalsContact O-N 3.08Å; T924-E927 VanDerWaalsContact OG1-CD 3.31Å; T924-E927 VanDerWaalsContact OG1-CG 3.24Å; T924-E927 WeakPolarHBondContact OG1-CG 3.31Å; T924-E927 PolarHBondContact OG1-N 3.27Å; T924-E927 PolarHBondContact OG1-OE2 3.07Å; T924-W928 VanDerWaalsContact O-CD1 3.24Å; T924-W928 PolarHBondContact O-N 3.42Å
925E86.3Confident86.2Confident146 Ų14649.8 Ų49.868%0.68226%0.262SS*.Hα-helixtrans-60.8-32.2177.8-170.1168.9-157.500112.8W928 I929E925-W928 WeakPolarHBondContact O-CB 3.19Å; E925-W928 PolarHBondContact O-N 3.34Å; E925-I929 HydrophobicContact CG-CD1 4.47Å; E925-I929 WeakPolarHBondContact O-CG1 3.31Å; E925-I929 PolarHBondContact O-N 3.21Å; E925-I929 VanDerWaalsContact O-N 3.08Å
926K87.8Confident85.9Confident160 Ų16047.6 Ų47.670%0.69625%0.25SS*.Hα-helixtrans-63.9-41.7173.2-67-172.4177.9-173.40112.2T924 W928 I929 A930T924-K926 PolarHBondContact O-N 3.15Å; K926-W928 VanDerWaalsContact C-N 3.33Å; K926-I929 PolarHBondContact O-N 3.45Å; K926-A930 WeakPolarHBondContact O-CB 3.45Å; K926-A930 PolarHBondContact O-N 2.98Å
927E89.9Confident85.5Confident4 Ų445 Ų452%0.01923%0.231CC..Hα-helixtrans-65.7-37176.2-74.4169.5138.200111.7A875 K878 L923 T924 A930 L931A875-E927 HydrophobicContact CB-CB 3.83Å; A875-E927 HydrophobicContact CB-CG 4.05Å; K878-E927 WeakPolarHBondContact CD-OE1 3.33Å; K878-E927 WeakPolarHBondContact CE-OE1 2.85Å; K878-E927 VanDerWaalsContact NZ-CD 3.34Å; K878-E927 IonicContact NZ-OE1 3.2Å; K878-E927 PolarHBondContact NZ-OE1 2.58Å; K878-E927 IonicContact NZ-OE2 3.78Å; K878-E927 PolarHBondContact NZ-OE2 2.75Å; L923-E927 WeakPolarHBondContact CA-OE2 3.22Å; L923-E927 HydrophobicContact CB-CB 4.49Å; L923-E927 HydrophobicContact CD2-CB 4.24Å; T924-E927 WeakPolarHBondContact CB-OE2 3.15Å; T924-E927 PolarHBondContact N-OE2 2.92Å; T924-E927 WeakPolarHBondContact O-CB 3.14Å; T924-E927 PolarHBondContact O-N 2.84Å; T924-E927 VanDerWaalsContact O-N 3.08Å; T924-E927 VanDerWaalsContact OG1-CD 3.31Å; T924-E927 VanDerWaalsContact OG1-CG 3.24Å; T924-E927 WeakPolarHBondContact OG1-CG 3.31Å; T924-E927 PolarHBondContact OG1-N 3.27Å; T924-E927 PolarHBondContact OG1-OE2 3.07Å; E927-A930 PolarHBondContact O-N 2.96Å; E927-L931 WeakPolarHBondContact O-CG 3.42Å; E927-L931 PolarHBondContact O-N 3.09Å
928W89.1Confident84.8Confident13 Ų1349.4 Ų49.45%0.04925%0.251CS..Hα-helixtrans-60.4-49.3172.8-81.2109.4000112.5F910 R911 L914 L923 T924 E925 K926 A930 L931 Y932F910-W928 AromaticContact CD1-CZ3 3.84Å; F910-W928 HydrophobicContact CD1-CZ3 3.84Å; F910-W928 HydrophobicContact CE1-CE3 4.49Å; F910-W928 AromaticContact CE1-CZ3 3.87Å; F910-W928 HydrophobicContact CE1-CZ3 3.87Å; R911-W928 HydrophobicContact CB-CH2 4.29Å; R911-W928 HydrophobicContact CB-CZ3 4.25Å; R911-W928 HydrophobicContact CG-CE3 4.41Å; R911-W928 HydrophobicContact CG-CH2 3.83Å; R911-W928 HydrophobicContact CG-CZ2 4Å; R911-W928 HydrophobicContact CG-CZ3 4.07Å; L914-W928 HydrophobicContact CB-CH2 3.73Å; L914-W928 HydrophobicContact CD1-CH2 3.52Å; L914-W928 HydrophobicContact CD1-CZ3 3.68Å; L914-W928 HydrophobicContact CG-CH2 4.25Å; L923-W928 HydrophobicContact CD1-CD2 4.47Å; L923-W928 HydrophobicContact CD1-CH2 4.23Å; L923-W928 HydrophobicContact CD1-CZ2 3.85Å; T924-W928 VanDerWaalsContact O-CD1 3.24Å; T924-W928 PolarHBondContact O-N 3.42Å; E925-W928 WeakPolarHBondContact O-CB 3.19Å; E925-W928 PolarHBondContact O-N 3.34Å; K926-W928 VanDerWaalsContact C-N 3.33Å; W928-A930 VanDerWaalsContact C-N 3.31Å; W928-A930 PolarHBondContact O-N 3.22Å; W928-L931 PolarHBondContact O-N 3.04Å; W928-Y932 HydrophobicContact CB-CE2 4.18Å; W928-Y932 HydrophobicContact CE3-CE1 4.41Å; W928-Y932 HydrophobicContact CE3-CE2 4.29Å; W928-Y932 AromaticContact CE3-CZ 3.89Å; W928-Y932 WeakPolarHBondContact O-CD2 3.11Å; W928-Y932 VanDerWaalsContact O-CG 3.31Å; W928-Y932 PolarHBondContact O-N 2.82Å
929I87.7Confident83.8Confident86 Ų8652.7 Ų52.744%0.44126%0.264SS..Hα-helixtrans-61-43.8178.1-65.1165000110.3E925 K926 L931 Y932 C933E925-I929 HydrophobicContact CG-CD1 4.47Å; E925-I929 WeakPolarHBondContact O-CG1 3.31Å; E925-I929 PolarHBondContact O-N 3.21Å; E925-I929 VanDerWaalsContact O-N 3.08Å; K926-I929 PolarHBondContact O-N 3.45Å; I929-L931 PolarHBondContact O-N 3.17Å; I929-Y932 PolarHBondContact O-N 2.82Å; I929-C933 PolarHBondContact O-N 2.98Å; I929-C933 PolarHBondContact O-SG 2.85Å; I929-C933 VanDerWaalsContact O-SG 3.34Å
930A88.3Confident82.9Confident0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-60.1-43.617800000112.5L868 A872 K926 E927 W928 C933 K934L868-A930 HydrophobicContact CD2-CB 4.15Å; L868-A930 WeakPolarHBondContact O-CB 3.49Å; A872-A930 HydrophobicContact CB-CB 3.97Å; K926-A930 WeakPolarHBondContact O-CB 3.45Å; K926-A930 PolarHBondContact O-N 2.98Å; E927-A930 PolarHBondContact O-N 2.96Å; W928-A930 VanDerWaalsContact C-N 3.31Å; W928-A930 PolarHBondContact O-N 3.22Å; A930-C933 PolarHBondContact O-N 2.84Å; A930-K934 WeakPolarHBondContact O-CB 3.4Å; A930-K934 PolarHBondContact O-N 2.88Å
931L87.9Confident82.2Confident0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-63.1-43.1174.2-73.3175.3000112.1A875 I876 I879 L923 E927 W928 I929 C933 K934 Y935 F950A875-L931 HydrophobicContact CB-CD1 3.96Å; A875-L931 HydrophobicContact CB-CD2 4.13Å; A875-L931 HydrophobicContact CB-CG 3.94Å; I876-L931 HydrophobicContact CG1-CD2 3.97Å; I879-L931 HydrophobicContact CD1-CD1 3.97Å; L923-L931 HydrophobicContact CD1-CD1 4.2Å; E927-L931 WeakPolarHBondContact O-CG 3.42Å; E927-L931 PolarHBondContact O-N 3.09Å; W928-L931 PolarHBondContact O-N 3.04Å; I929-L931 PolarHBondContact O-N 3.17Å; L931-C933 VanDerWaalsContact C-N 3.34Å; L931-C933 PolarHBondContact O-N 3.05Å; L931-K934 PolarHBondContact O-N 3.19Å; L931-Y935 HydrophobicContact CD2-CD2 4.38Å; L931-Y935 HydrophobicContact CD2-CE2 3.94Å; L931-Y935 WeakPolarHBondContact O-CD2 3.23Å; L931-Y935 PolarHBondContact O-N 3.49Å; L931-F950 HydrophobicContact CD1-CE2 4.3Å; L931-F950 HydrophobicContact CD2-CD2 4.32Å; L931-F950 HydrophobicContact CD2-CE2 3.95Å
932Y87.5Confident81.7Confident30 Ų3058.9 Ų58.912%0.11832%0.322CS..Hα-helixtrans-62-42.2177.1-65.9-44.6000112.3Q907 F910 R911 W928 I929 C936 V945Q907-Y932 HydrophobicContact CB-CD1 4.12Å; Q907-Y932 HydrophobicContact CB-CE1 3.73Å; Q907-Y932 HydrophobicContact CG-CD1 3.87Å; Q907-Y932 HydrophobicContact CG-CE1 4.03Å; Q907-Y932 HydrophobicContact CG-CG 4.29Å; Q907-Y932 PolarHBondContact O-OH 2.8Å; F910-Y932 HydrophobicContact CB-CE1 4.46Å; F910-Y932 HydrophobicContact CD1-CD1 4.25Å; F910-Y932 AromaticContact CD1-CE1 3.65Å; F910-Y932 HydrophobicContact CD1-CE1 3.65Å; F910-Y932 HydrophobicContact CE1-CE1 4.37Å; F910-Y932 HydrophobicContact CG-CE1 4.43Å; R911-Y932 WeakPolarHBondContact CB-OH 3.03Å; W928-Y932 HydrophobicContact CB-CE2 4.18Å; W928-Y932 HydrophobicContact CE3-CE1 4.41Å; W928-Y932 HydrophobicContact CE3-CE2 4.29Å; W928-Y932 AromaticContact CE3-CZ 3.89Å; W928-Y932 WeakPolarHBondContact O-CD2 3.11Å; W928-Y932 VanDerWaalsContact O-CG 3.31Å; W928-Y932 PolarHBondContact O-N 2.82Å; I929-Y932 PolarHBondContact O-N 2.82Å; Y932-C936 WeakPolarHBondContact O-CA 3.19Å; Y932-C936 VanDerWaalsContact O-CB 3.28Å; Y932-C936 WeakPolarHBondContact O-CB 3.47Å; Y932-C936 PolarHBondContact O-N 3.04Å; Y932-C936 VanDerWaalsContact O-N 3.08Å; Y932-V945 HydrophobicContact CD1-CG2 3.85Å; Y932-V945 HydrophobicContact CE1-CG2 4.32Å
933C84.6Confident81.7Confident53 Ų5360.8 Ų60.836%0.35833%0.329SS..Hα-helixtrans-66.5-40176.8-68.60000112L864 I929 A930 L931L864-C933 HydrophobicContact CD2-CB 4.15Å; L864-C933 HydrophobicContact CG-CB 4.4Å; I929-C933 PolarHBondContact O-N 2.98Å; I929-C933 PolarHBondContact O-SG 2.85Å; I929-C933 VanDerWaalsContact O-SG 3.34Å; A930-C933 PolarHBondContact O-N 2.84Å; L931-C933 VanDerWaalsContact C-N 3.34Å; L931-C933 PolarHBondContact O-N 3.05Å
934K85.7Confident81.6Confident42 Ų4261.6 Ų61.618%0.18333%0.334CS..Hα-helixtrans-64.5-47.5-179.5-169.1170.2179.61780111.8V859 N862 L864 A872 D873 I876 A930 L931V859-K934 WeakPolarHBondContact CG1-O 3.47Å; N862-K934 PolarHBondContact ND2-O 3.05Å; L864-K934 HydrophobicContact CD1-CB 4.14Å; L864-K934 HydrophobicContact CD1-CG 4.29Å; L864-K934 HydrophobicContact CD2-CB 3.81Å; L864-K934 HydrophobicContact CD2-CG 4.46Å; A872-K934 HydrophobicContact CB-CB 4.37Å; A872-K934 HydrophobicContact CB-CD 3.8Å; D873-K934 IonicContact OD1-NZ 2.74Å; D873-K934 PolarHBondContact OD1-NZ 3.15Å; I876-K934 HydrophobicContact CD1-CD 4.15Å; A930-K934 WeakPolarHBondContact O-CB 3.4Å; A930-K934 PolarHBondContact O-N 2.88Å; L931-K934 PolarHBondContact O-N 3.19Å
935Y86.9Confident81.5Confident0 Ų058.1 Ų58.10%031%0.313CS..THydrogen-bonded Turntrans-100.617-174-60-73.7000113.9V859 I876 L931 H937 V945 N946 A949 F950 D953V859-Y935 HydrophobicContact CG1-CD1 3.72Å; V859-Y935 HydrophobicContact CG1-CE1 4.11Å; I876-Y935 HydrophobicContact CD1-CE2 4.34Å; I876-Y935 VanDerWaalsContact CD1-OH 3.23Å; I876-Y935 WeakPolarHBondContact CD1-OH 3.43Å; L931-Y935 HydrophobicContact CD2-CD2 4.38Å; L931-Y935 HydrophobicContact CD2-CE2 3.94Å; L931-Y935 WeakPolarHBondContact O-CD2 3.23Å; L931-Y935 PolarHBondContact O-N 3.49Å; Y935-H937 PolarHBondContact O-N 3.4Å; Y935-V945 CarbonylContact O-C 3.59Å; Y935-V945 WeakPolarHBondContact O-CA 3.46Å; Y935-N946 PolarHBondContact O-N 3.17Å; Y935-A949 HydrophobicContact CD1-CB 3.98Å; Y935-A949 HydrophobicContact CE1-CB 4.16Å; Y935-F950 HydrophobicContact CD1-CB 3.91Å; Y935-F950 HydrophobicContact CD2-CB 4.05Å; Y935-F950 AromaticContact CD2-CD2 3.87Å; Y935-F950 HydrophobicContact CD2-CD2 3.87Å; Y935-F950 HydrophobicContact CD2-CG 4.41Å; Y935-F950 VanDerWaalsContact CE1-CA 3.45Å; Y935-F950 HydrophobicContact CE1-CB 3.95Å; Y935-F950 HydrophobicContact CE2-CB 4.1Å; Y935-F950 AromaticContact CE2-CD2 3.54Å; Y935-F950 HydrophobicContact CE2-CD2 3.54Å; Y935-F950 HydrophobicContact CE2-CE2 4.48Å; Y935-F950 HydrophobicContact CE2-CG 4.31Å; Y935-F950 HydrophobicContact CG-CB 3.96Å; Y935-D953 VanDerWaalsContact CE1-OD2 3.32Å; Y935-D953 WeakPolarHBondContact CE1-OD2 3.27Å; Y935-D953 VanDerWaalsContact OH-CB 3.31Å; Y935-D953 WeakPolarHBondContact OH-CB 3.41Å; Y935-D953 PolarHBondContact OH-OD2 2.9Å
936C83.4Confident81.5Confident26 Ų2652.3 Ų52.318%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-61.8132.8178.6-172.10000111N862 Y932 N944N862-C936 PolarHBondContact ND2-N 3.34Å; N862-C936 PolarHBondContact ND2-O 3.21Å; Y932-C936 WeakPolarHBondContact O-CA 3.19Å; Y932-C936 VanDerWaalsContact O-CB 3.28Å; Y932-C936 WeakPolarHBondContact O-CB 3.47Å; Y932-C936 PolarHBondContact O-N 3.04Å; Y932-C936 VanDerWaalsContact O-N 3.08Å; C936-N944 CarbonylContact C-O 3.6Å; C936-N944 WeakPolarHBondContact CA-O 3.22Å
937H79.4Confident81.6Confident41 Ų4145 Ų4519%0.1925%0.254CS..EExtended strand (participates in β ladder)trans-136110.2174.6-170.171.4000109.3S858 T904 Y935 M939 N944 N946S858-H937 WeakPolarHBondContact CB-ND1 3.48Å; S858-H937 PolarHBondContact OG-CE1 2.75Å; S858-H937 PolarHBondContact OG-ND1 2.57Å; T904-H937 HydrophobicContact CG2-CB 4.39Å; Y935-H937 PolarHBondContact O-N 3.4Å; H937-M939 WeakPolarHBondContact NE2-CE 3.4Å; H937-M939 PolarHBondContact O-N 3.31Å; H937-N944 PolarHBondContact N-O 3.44Å; H937-N944 PolarHBondContact O-N 2.84Å; H937-N946 HydrophobicContact CB-CB 4.36Å
938Q73.6Confident81.4Confident123 Ų12347.3 Ų47.358%0.57527%0.265SS*.EExtended strand (participates in β ladder)trans-76.9110.9-177-173.7173.8-12.600110.4
939M64.1Low81.2Confident82 Ų8247.4 Ų47.440%0.40427%0.269SS..EExtended strand (participates in β ladder)trans-114.3104.3175.7-75.6-73.695.400109.8H937 L941 A942H937-M939 WeakPolarHBondContact NE2-CE 3.4Å; H937-M939 PolarHBondContact O-N 3.31Å; M939-L941 PolarHBondContact O-N 2.88Å; M939-A942 PolarHBondContact N-O 3.16Å; M939-A942 PolarHBondContact O-N 3.32Å; M939-A942 VanDerWaalsContact O-N 3.15Å
940G65.1Low81.3Confident67 Ų6743.3 Ų43.369%0.69125%0.248SC*.THydrogen-bonded Turntrans65-115.7-175.800000111.3
941L63.2Low81.3Confident186 Ų18643.4 Ų43.497%0.97425%0.248SC*.THydrogen-bonded Turntrans-96.8-8178.7-70.6160.8000113.1M939M939-L941 PolarHBondContact O-N 2.88Å
942A71.6Confident81.2Confident49 Ų4946 Ų4641%0.40526%0.262SS..EExtended strand (participates in β ladder)trans-110.5137.5-174.300000111.6M939 N944M939-A942 PolarHBondContact N-O 3.16Å; M939-A942 PolarHBondContact O-N 3.32Å; M939-A942 VanDerWaalsContact O-N 3.15Å; A942-N944 PolarHBondContact O-N 3.08Å
943N77.6Confident81.1Confident79 Ų7947.6 Ų47.642%0.42227%0.272SS..EExtended strand (participates in β ladder)trans-89.1100.9173-71.3-6.1000109
944N84.9Confident81.3Confident33 Ų3345 Ų4518%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-90.3172175.7-69-10.8000110.5C936 H937 A942C936-N944 CarbonylContact C-O 3.6Å; C936-N944 WeakPolarHBondContact CA-O 3.22Å; H937-N944 PolarHBondContact N-O 3.44Å; H937-N944 PolarHBondContact O-N 2.84Å; A942-N944 PolarHBondContact O-N 3.08Å
945V86Confident81.4Confident1 Ų144.2 Ų44.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-111.6124.5177.5-174.30000108.5T904 V905 Q907 F910 Y932 Y935 Y947T904-V945 CarbonylContact C-O 3.57Å; T904-V945 VanDerWaalsContact CA-O 3.28Å; T904-V945 WeakPolarHBondContact CA-O 3.18Å; V905-V945 HydrophobicContact CG2-CB 4.43Å; V905-V945 PolarHBondContact N-O 3.48Å; V905-V945 PolarHBondContact O-N 2.88Å; Q907-V945 HydrophobicContact CG-CG2 3.98Å; F910-V945 HydrophobicContact CB-CB 4.46Å; F910-V945 HydrophobicContact CB-CG2 4.35Å; F910-V945 HydrophobicContact CD1-CG1 4.49Å; F910-V945 HydrophobicContact CD2-CB 4.24Å; F910-V945 HydrophobicContact CD2-CG1 3.71Å; F910-V945 HydrophobicContact CE2-CG1 3.85Å; F910-V945 HydrophobicContact CG-CB 4.35Å; F910-V945 HydrophobicContact CG-CG1 4.06Å; F910-V945 HydrophobicContact CG-CG2 4.41Å; F910-V945 HydrophobicContact CZ-CG1 4.29Å; Y932-V945 HydrophobicContact CD1-CG2 3.85Å; Y932-V945 HydrophobicContact CE1-CG2 4.32Å; Y935-V945 CarbonylContact O-C 3.59Å; Y935-V945 WeakPolarHBondContact O-CA 3.46Å; V945-Y947 PolarHBondContact O-N 3.48Å; V945-Y947 VanDerWaalsContact O-N 3.14Å
946N87.7Confident81.4Confident23 Ų2348.7 Ų48.712%0.12328%0.278CS..EExtended strand (participates in β ladder)trans-76.197.6172.5-174.2-32.8000109.2V859 Y935 H937 Q948 A949 F950V859-N946 HydrophobicContact CG2-CB 3.92Å; Y935-N946 PolarHBondContact O-N 3.17Å; H937-N946 HydrophobicContact CB-CB 4.36Å; N946-Q948 VanDerWaalsContact C-N 3.32Å; N946-Q948 PolarHBondContact OD1-N 2.88Å; N946-A949 HydrophobicContact CB-CB 4.49Å; N946-A949 PolarHBondContact OD1-N 3.24Å; N946-F950 PolarHBondContact O-N 3.24Å
947Y88.8Confident81.6Confident7 Ų749.7 Ų49.73%0.02729%0.289CS..Hα-helixtrans-74.6-24.1-176.569-97.1000112.3L891 F894 D898 L903 V905 V945 F950 I951L891-Y947 HydrophobicContact CD1-CE2 4.21Å; F894-Y947 HydrophobicContact CB-CD1 4.34Å; F894-Y947 HydrophobicContact CB-CD2 3.5Å; F894-Y947 HydrophobicContact CB-CE2 3.75Å; F894-Y947 HydrophobicContact CB-CG 3.83Å; F894-Y947 HydrophobicContact CD1-CD1 4.45Å; F894-Y947 HydrophobicContact CD1-CD2 4.35Å; F894-Y947 AromaticContact CD1-CG 3.91Å; F894-Y947 HydrophobicContact CD1-CG 3.91Å; F894-Y947 HydrophobicContact CD2-CD2 4.34Å; F894-Y947 AromaticContact CG-CD2 3.84Å; F894-Y947 HydrophobicContact CG-CD2 3.84Å; F894-Y947 AromaticContact CG-CG 3.88Å; F894-Y947 HydrophobicContact CG-CG 3.88Å; D898-Y947 HydrophobicContact CB-CE1 3.94Å; D898-Y947 PolarHBondContact OD2-OH 3.17Å; L903-Y947 VanDerWaalsContact CA-CE1 3.49Å; L903-Y947 WeakPolarHBondContact O-CD1 3.31Å; L903-Y947 PolarHBondContact O-N 3.16Å; V905-Y947 HydrophobicContact CB-CD1 4.4Å; V905-Y947 HydrophobicContact CG1-CD1 3.75Å; V905-Y947 HydrophobicContact CG1-CE1 4.07Å; V905-Y947 HydrophobicContact CG2-CD1 4.07Å; V945-Y947 PolarHBondContact O-N 3.48Å; V945-Y947 VanDerWaalsContact O-N 3.14Å; Y947-F950 WeakPolarHBondContact O-CB 3.39Å; Y947-F950 PolarHBondContact O-N 3.35Å; Y947-I951 HydrophobicContact CD2-CD1 3.78Å; Y947-I951 HydrophobicContact CE2-CD1 4.4Å; Y947-I951 WeakPolarHBondContact O-CG1 3.33Å; Y947-I951 PolarHBondContact O-N 3.13Å
948Q86.1Confident81.8Confident53 Ų5347.9 Ų47.925%0.24828%0.281CS..Hα-helixtrans-65.7-49.6178.7-179.462.736.200110.6L903 N946 F950 I951 D952L903-Q948 HydrophobicContact CB-CB 4.29Å; N946-Q948 VanDerWaalsContact C-N 3.32Å; N946-Q948 PolarHBondContact OD1-N 2.88Å; Q948-F950 PolarHBondContact O-N 3.11Å; Q948-I951 PolarHBondContact O-N 3.09Å; Q948-I951 VanDerWaalsContact O-N 3.14Å; Q948-D952 PolarHBondContact NE2-OD1 3.39Å; Q948-D952 PolarHBondContact NE2-OD2 2.68Å; Q948-D952 VanDerWaalsContact O-CG 3.3Å; Q948-D952 PolarHBondContact O-N 2.87Å
949A85.4Confident82.2Confident15 Ų1545.3 Ų45.312%0.12429%0.287CS..Hα-helixtrans-59.8-37.4175.800000111.8V859 Y935 N946 D953V859-A949 HydrophobicContact CB-CB 4.3Å; V859-A949 HydrophobicContact CG1-CB 4.24Å; V859-A949 HydrophobicContact CG2-CB 3.74Å; Y935-A949 HydrophobicContact CD1-CB 3.98Å; Y935-A949 HydrophobicContact CE1-CB 4.16Å; N946-A949 HydrophobicContact CB-CB 4.49Å; N946-A949 PolarHBondContact OD1-N 3.24Å; A949-D953 WeakPolarHBondContact O-CB 3.36Å; A949-D953 PolarHBondContact O-N 3.22Å; A949-D953 VanDerWaalsContact O-N 3.07Å
950F89.3Confident82.9Confident0 Ų044.7 Ų44.70%029%0.285CS..Hα-helixtrans-64.8-42.2174.7169.4-104000113I879 F894 F910 L914 L931 Y935 N946 Y947 Q948 I954I879-F950 HydrophobicContact CD1-CE2 4.06Å; I879-F950 HydrophobicContact CD1-CZ 3.84Å; F894-F950 HydrophobicContact CE2-CD1 4.37Å; F894-F950 HydrophobicContact CE2-CE1 4.24Å; F894-F950 HydrophobicContact CZ-CD1 4.3Å; F894-F950 HydrophobicContact CZ-CE1 4.1Å; F910-F950 HydrophobicContact CE2-CB 4.44Å; F910-F950 AromaticContact CE2-CD1 3.55Å; F910-F950 HydrophobicContact CE2-CD1 3.55Å; F910-F950 HydrophobicContact CE2-CD2 4.32Å; F910-F950 AromaticContact CE2-CE1 3.68Å; F910-F950 HydrophobicContact CE2-CE1 3.68Å; F910-F950 HydrophobicContact CE2-CE2 4.43Å; F910-F950 AromaticContact CE2-CG 3.86Å; F910-F950 HydrophobicContact CE2-CG 3.86Å; F910-F950 HydrophobicContact CE2-CZ 4.11Å; F910-F950 AromaticContact CZ-CD1 3.81Å; F910-F950 HydrophobicContact CZ-CD1 3.81Å; F910-F950 AromaticContact CZ-CD2 3.86Å; F910-F950 HydrophobicContact CZ-CD2 3.86Å; F910-F950 AromaticContact CZ-CE1 3.65Å; F910-F950 HydrophobicContact CZ-CE1 3.65Å; F910-F950 AromaticContact CZ-CE2 3.7Å; F910-F950 HydrophobicContact CZ-CE2 3.7Å; F910-F950 AromaticContact CZ-CG 3.88Å; F910-F950 HydrophobicContact CZ-CG 3.88Å; F910-F950 AromaticContact CZ-CZ 3.56Å; F910-F950 HydrophobicContact CZ-CZ 3.56Å; L914-F950 HydrophobicContact CD1-CE1 4.31Å; L914-F950 HydrophobicContact CD1-CZ 3.88Å; L914-F950 HydrophobicContact CD2-CE1 4.08Å; L914-F950 HydrophobicContact CD2-CZ 4.08Å; L931-F950 HydrophobicContact CD1-CE2 4.3Å; L931-F950 HydrophobicContact CD2-CD2 4.32Å; L931-F950 HydrophobicContact CD2-CE2 3.95Å; Y935-F950 HydrophobicContact CD1-CB 3.91Å; Y935-F950 HydrophobicContact CD2-CB 4.05Å; Y935-F950 AromaticContact CD2-CD2 3.87Å; Y935-F950 HydrophobicContact CD2-CD2 3.87Å; Y935-F950 HydrophobicContact CD2-CG 4.41Å; Y935-F950 VanDerWaalsContact CE1-CA 3.45Å; Y935-F950 HydrophobicContact CE1-CB 3.95Å; Y935-F950 HydrophobicContact CE2-CB 4.1Å; Y935-F950 AromaticContact CE2-CD2 3.54Å; Y935-F950 HydrophobicContact CE2-CD2 3.54Å; Y935-F950 HydrophobicContact CE2-CE2 4.48Å; Y935-F950 HydrophobicContact CE2-CG 4.31Å; Y935-F950 HydrophobicContact CG-CB 3.96Å; N946-F950 PolarHBondContact O-N 3.24Å; Y947-F950 WeakPolarHBondContact O-CB 3.39Å; Y947-F950 PolarHBondContact O-N 3.35Å; Q948-F950 PolarHBondContact O-N 3.11Å; F950-I954 HydrophobicContact CD1-CD1 3.83Å; F950-I954 HydrophobicContact CD2-CD1 3.85Å; F950-I954 HydrophobicContact CE1-CD1 3.32Å; F950-I954 HydrophobicContact CE2-CD1 3.36Å; F950-I954 HydrophobicContact CE2-CG1 4.26Å; F950-I954 HydrophobicContact CG-CD1 4.1Å; F950-I954 HydrophobicContact CZ-CD1 3.09Å; F950-I954 HydrophobicContact CZ-CG1 4.38Å; F950-I954 WeakPolarHBondContact O-CG1 3.3Å; F950-I954 PolarHBondContact O-N 3.47Å
951I88.2Confident83.3Confident2 Ų246 Ų461%0.0128%0.276CS..Hα-helixtrans-66.1-45.3176.7-70.3170000110.6L890 L891 F894 Y947 Q948 D953 I954 Y955L890-I951 HydrophobicContact CB-CD1 4.14Å; L890-I951 HydrophobicContact CB-CG1 3.94Å; L890-I951 HydrophobicContact CD1-CG1 4.27Å; L891-I951 HydrophobicContact CB-CD1 4.3Å; L891-I951 HydrophobicContact CD1-CD1 3.76Å; F894-I951 HydrophobicContact CD2-CD1 3.84Å; F894-I951 HydrophobicContact CD2-CG1 4.32Å; F894-I951 HydrophobicContact CE2-CD1 4.43Å; F894-I951 HydrophobicContact CE2-CG1 4.43Å; Y947-I951 HydrophobicContact CD2-CD1 3.78Å; Y947-I951 HydrophobicContact CE2-CD1 4.4Å; Y947-I951 WeakPolarHBondContact O-CG1 3.33Å; Y947-I951 PolarHBondContact O-N 3.13Å; Q948-I951 PolarHBondContact O-N 3.09Å; Q948-I951 VanDerWaalsContact O-N 3.14Å; I951-D953 VanDerWaalsContact C-N 3.3Å; I951-D953 PolarHBondContact O-N 2.93Å; I951-I954 PolarHBondContact O-N 2.83Å; I951-I954 VanDerWaalsContact O-N 3.16Å; I951-Y955 HydrophobicContact CG2-CD2 3.49Å; I951-Y955 VanDerWaalsContact CG2-CD2 3.49Å; I951-Y955 HydrophobicContact CG2-CE1 4.37Å; I951-Y955 HydrophobicContact CG2-CE2 3.22Å; I951-Y955 HydrophobicContact CG2-CG 4.2Å; I951-Y955 PolarHBondContact O-N 3.16Å
952D85.3Confident83.5Confident53 Ų5339.5 Ų39.528%0.28325%0.245SC..Hα-helixtrans-59.4-43.4179.8-70.1-18.9000110.8Q948 T956Q948-D952 PolarHBondContact NE2-OD1 3.39Å; Q948-D952 PolarHBondContact NE2-OD2 2.68Å; Q948-D952 VanDerWaalsContact O-CG 3.3Å; Q948-D952 PolarHBondContact O-N 2.87Å; D952-T956 VanDerWaalsContact O-CB 3.29Å; D952-T956 WeakPolarHBondContact O-CB 3.45Å; D952-T956 PolarHBondContact O-N 2.94Å; D952-T956 PolarHBondContact O-OG1 3.48Å
953D87Confident83.3Confident64 Ų6448.2 Ų48.234%0.34227%0.267SS..Hα-helixtrans-65.6-39.9175.7-76.1-11.1000112.3Y935 A949 I951 A957Y935-D953 VanDerWaalsContact CE1-OD2 3.32Å; Y935-D953 WeakPolarHBondContact CE1-OD2 3.27Å; Y935-D953 VanDerWaalsContact OH-CB 3.31Å; Y935-D953 WeakPolarHBondContact OH-CB 3.41Å; Y935-D953 PolarHBondContact OH-OD2 2.9Å; A949-D953 WeakPolarHBondContact O-CB 3.36Å; A949-D953 PolarHBondContact O-N 3.22Å; A949-D953 VanDerWaalsContact O-N 3.07Å; I951-D953 VanDerWaalsContact C-N 3.3Å; I951-D953 PolarHBondContact O-N 2.93Å; D953-A957 VanDerWaalsContact O-CB 3.3Å; D953-A957 WeakPolarHBondContact O-CB 3.47Å; D953-A957 PolarHBondContact O-N 3.44Å
954I88.7Confident82.5Confident0 Ų051.2 Ų51.20%028%0.281CS..Hα-helixtrans-67.8-44.2177.4-75167.5000111.9I876 I879 A880 V883 L890 F950 I951 T956 A957 A958I876-I954 HydrophobicContact CG2-CG1 4.17Å; I879-I954 HydrophobicContact CB-CD1 4.27Å; I879-I954 HydrophobicContact CG2-CD1 3.6Å; I879-I954 HydrophobicContact CG2-CG1 4.34Å; I879-I954 HydrophobicContact CG2-CG2 4.49Å; A880-I954 HydrophobicContact CB-CG2 4.3Å; V883-I954 HydrophobicContact CB-CG2 4.43Å; V883-I954 HydrophobicContact CG1-CG2 4.46Å; V883-I954 HydrophobicContact CG2-CG2 4.25Å; L890-I954 HydrophobicContact CD1-CB 4.3Å; L890-I954 HydrophobicContact CD1-CD1 3.92Å; L890-I954 HydrophobicContact CD1-CG2 3.89Å; F950-I954 HydrophobicContact CD1-CD1 3.83Å; F950-I954 HydrophobicContact CD2-CD1 3.85Å; F950-I954 HydrophobicContact CE1-CD1 3.32Å; F950-I954 HydrophobicContact CE2-CD1 3.36Å; F950-I954 HydrophobicContact CE2-CG1 4.26Å; F950-I954 HydrophobicContact CG-CD1 4.1Å; F950-I954 HydrophobicContact CZ-CD1 3.09Å; F950-I954 HydrophobicContact CZ-CG1 4.38Å; F950-I954 WeakPolarHBondContact O-CG1 3.3Å; F950-I954 PolarHBondContact O-N 3.47Å; I951-I954 PolarHBondContact O-N 2.83Å; I951-I954 VanDerWaalsContact O-N 3.16Å; I954-T956 VanDerWaalsContact C-N 3.35Å; I954-A957 PolarHBondContact O-N 2.92Å; I954-A958 VanDerWaalsContact O-CB 3.31Å; I954-A958 WeakPolarHBondContact O-CB 3.25Å; I954-A958 PolarHBondContact O-N 3.47Å
955Y88.1Confident81Confident24 Ų2458.1 Ų58.19%0.09433%0.327CS..Hα-helixtrans-65.1-42.6178.2-71.9-19.5000110.8V883 L890 I951 A957 A958 G959 I960 P962V883-Y955 HydrophobicContact CG1-CE1 4.37Å; L890-Y955 HydrophobicContact CD1-CE1 4.46Å; L890-Y955 PolarHBondContact N-OH 3.35Å; I951-Y955 HydrophobicContact CG2-CD2 3.49Å; I951-Y955 VanDerWaalsContact CG2-CD2 3.49Å; I951-Y955 HydrophobicContact CG2-CE1 4.37Å; I951-Y955 HydrophobicContact CG2-CE2 3.22Å; I951-Y955 HydrophobicContact CG2-CG 4.2Å; I951-Y955 PolarHBondContact O-N 3.16Å; Y955-A957 VanDerWaalsContact C-N 3.34Å; Y955-A957 PolarHBondContact O-N 3.27Å; Y955-A958 PolarHBondContact O-N 2.84Å; Y955-A958 VanDerWaalsContact O-N 3.13Å; Y955-G959 PolarHBondContact O-N 2.99Å; Y955-I960 CarbonylContact C-O 3.51Å; Y955-I960 HydrophobicContact CD1-CD1 4.43Å; Y955-I960 PolarHBondContact O-N 2.64Å; Y955-P962 HydrophobicContact CD2-CB 4.07Å
956T86.5Confident80.8Confident94 Ų9461 Ų6158%0.57734%0.343SS*.Hα-helixtrans-57.3-46172-55.50000111.3D952 I954 A958 G959D952-T956 VanDerWaalsContact O-CB 3.29Å; D952-T956 WeakPolarHBondContact O-CB 3.45Å; D952-T956 PolarHBondContact O-N 2.94Å; D952-T956 PolarHBondContact O-OG1 3.48Å; I954-T956 VanDerWaalsContact C-N 3.35Å; T956-A958 PolarHBondContact O-N 3.06Å; T956-G959 PolarHBondContact O-N 3.24Å
957A86.6Confident80.4Confident47 Ų4763 Ų6339%0.38836%0.355SS..Hα-helixtrans-68.5-29177.100000113.8I876 A880 D953 I954 Y955 G959I876-A957 HydrophobicContact CG2-CB 3.96Å; A880-A957 HydrophobicContact CB-CB 3.87Å; D953-A957 VanDerWaalsContact O-CB 3.3Å; D953-A957 WeakPolarHBondContact O-CB 3.47Å; D953-A957 PolarHBondContact O-N 3.44Å; I954-A957 PolarHBondContact O-N 2.92Å; Y955-A957 VanDerWaalsContact C-N 3.34Å; Y955-A957 PolarHBondContact O-N 3.27Å; A957-G959 VanDerWaalsContact C-N 3.31Å
958A83.6Confident80Confident4 Ų466.1 Ų66.13%0.03337%0.373CS..Hα-helixtrans-78-16.6175.800000113A880 K884 I954 Y955 T956 I960A880-A958 HydrophobicContact CB-CB 4.31Å; K884-A958 HydrophobicContact CB-CB 4.41Å; K884-A958 WeakPolarHBondContact CD-O 2.85Å; K884-A958 PolarHBondContact NZ-O 3Å; I954-A958 VanDerWaalsContact O-CB 3.31Å; I954-A958 WeakPolarHBondContact O-CB 3.25Å; I954-A958 PolarHBondContact O-N 3.47Å; Y955-A958 PolarHBondContact O-N 2.84Å; Y955-A958 VanDerWaalsContact O-N 3.13Å; T956-A958 PolarHBondContact O-N 3.06Å; A958-I960 HydrophobicContact CB-CD1 3.94Å; A958-I960 HydrophobicContact CB-CG1 4.01Å
959G82Confident79.6Confident68 Ų6866.9 Ų66.970%0.70138%0.381SS*.THydrogen-bonded Turntrans76.628.8-170.900000112.9Y955 T956 A957Y955-G959 PolarHBondContact O-N 2.99Å; T956-G959 PolarHBondContact O-N 3.24Å; A957-G959 VanDerWaalsContact C-N 3.31Å
960I79.1Confident79.2Confident69 Ų6970.1 Ų70.135%0.35440%0.397SS..  trans-104128.7174.5-58171.9000106.3Y955 A958 P962Y955-I960 CarbonylContact C-O 3.51Å; Y955-I960 HydrophobicContact CD1-CD1 4.43Å; Y955-I960 PolarHBondContact O-N 2.64Å; A958-I960 HydrophobicContact CB-CD1 3.94Å; A958-I960 HydrophobicContact CB-CG1 4.01Å; I960-P962 VanDerWaalsContact O-CD 3.3Å; I960-P962 WeakPolarHBondContact O-CD 3.33Å
961D74Confident78.6Confident95 Ų9574.8 Ų74.851%0.50842%0.423SS..  trans-70.4117.1176.5-171.9-21.7000109.1R963 M964D961-R963 PolarHBondContact O-N 2.79Å; D961-R963 PolarHBondContact OD1-N 2.91Å; D961-R963 VanDerWaalsContact OD1-N 3.11Å; D961-M964 HydrophobicContact CB-CB 4.07Å; D961-M964 PolarHBondContact O-N 2.78Å
962P67.2Low77.9Confident49 Ų4980 Ų8032%0.31845%0.452SS..THydrogen-bonded Turntrans-62.3-15.9-175.923.2-32.6000113.7Y955 I960Y955-P962 HydrophobicContact CD2-CB 4.07Å; I960-P962 VanDerWaalsContact O-CD 3.3Å; I960-P962 WeakPolarHBondContact O-CD 3.33Å
963R66.7Low77.3Confident232 Ų23282.1 Ų82.188%0.87547%0.465SS*.THydrogen-bonded Turntrans-98.2-0.2179.2-63.5-178.3179.4168.51.6113.7D961D961-R963 PolarHBondContact O-N 2.79Å; D961-R963 PolarHBondContact OD1-N 2.91Å; D961-R963 VanDerWaalsContact OD1-N 3.11Å
964M61.9Low76.5Confident143 Ų14383.6 Ų83.670%0.70448%0.476SS*.  trans-100121.6177.6-144.1176-174.700109.3D961D961-M964 HydrophobicContact CB-CB 4.07Å; D961-M964 PolarHBondContact O-N 2.78Å
965P53.9Low75.4Confident178 Ų17891.2 Ų91.2100%1.15652%0.519SS*.  trans-68.3017829.4-33.7000111.4

Retrieved 965 of 965 residues in 1324.9 ms (Link to these results)

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