A0A096N635_PAPAN Loading...

Zinc finger matrin-type 4

AlphaFold DB (Q9H898), UniProt , Accession A0A096N635, Species PAPAN (Papio anubis, Olive baboon), Gene ZMAT4, Length 229 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
1M34Very low59.7Low245 Ų245102.1 Ų102.1100%1.20753%0.529SS*.  083.90-66.6147.4135.800109.1
2K41.7Very low62.2Low183 Ų18396.8 Ų96.880%0.79650%0.504SS*.  trans-144.125.1-177.9-115178.3-176.8178.40112.9
3S46.8Very low64.2Low70 Ų7098.1 Ų98.149%0.4951%0.512SS..SBendtrans-89-27.5-178.5-57.40000112.9D7 R51S3-D7 VanDerWaalsContact O-OD2 3.05Å; S3-R51 PolarHBondContact O-NH2 2.97Å; S3-R51 VanDerWaalsContact O-NH2 3.13Å
4S51.8Low66.1Low82 Ų8296.2 Ų96.257%0.57351%0.511SS*.Hα-helixtrans-75.4-40.2-169.640.20000115.3I6 D7 Q8S4-I6 PolarHBondContact O-N 3.46Å; S4-D7 PolarHBondContact O-N 3Å; S4-Q8 PolarHBondContact O-N 3.03Å
5D53.5Low67.8Low118 Ų11896.1 Ų96.163%0.63150%0.502SS*.Hα-helixtrans-62.9-37.4-174.2-91.7-90.9000114.1
6I54.7Low69.4Low99 Ų9990.1 Ų90.151%0.50847%0.471SS..Hα-helixtrans-78.7-35.1-175.9-62.1174.4000111.3S4 Q8 D9 L10S4-I6 PolarHBondContact O-N 3.46Å; I6-Q8 PolarHBondContact O-N 2.92Å; I6-D9 PolarHBondContact O-N 3.4Å; I6-L10 HydrophobicContact CG2-CD1 4.31Å; I6-L10 PolarHBondContact O-N 3.22Å
7D60.6Low70.4Confident44 Ų4489.6 Ų89.624%0.23546%0.464CS..Hα-helixtrans-67.6-29.6176-74.5-52.5000111.2S3 S4 D9 L10 F11 Y46 R51S3-D7 VanDerWaalsContact O-OD2 3.05Å; S4-D7 PolarHBondContact O-N 3Å; D7-D9 VanDerWaalsContact C-N 3.31Å; D7-D9 PolarHBondContact O-N 3.49Å; D7-L10 PolarHBondContact O-N 3.22Å; D7-F11 HydrophobicContact CB-CD2 4.32Å; D7-F11 WeakPolarHBondContact O-CD2 3.41Å; D7-F11 PolarHBondContact O-N 3.49Å; D7-Y46 PolarHBondContact OD1-OH 3.03Å; D7-R51 IonicContact OD2-NH2 2.66Å
8Q66.1Low71.4Confident136 Ų13685.1 Ų85.164%0.63644%0.441SS*.Hα-helixtrans-66.7-30.5176.4-152.2165.311.400112.9S4 I6 T12S4-Q8 PolarHBondContact O-N 3.03Å; I6-Q8 PolarHBondContact O-N 2.92Å; Q8-T12 WeakPolarHBondContact O-CG2 3.48Å
9D77.3Confident72.3Confident91 Ų9181.8 Ų81.849%0.48743%0.426SS..Hα-helixtrans-77.9-32.8174.6-175.266.1000112.5I6 D7 K17I6-D9 PolarHBondContact O-N 3.4Å; D7-D9 VanDerWaalsContact C-N 3.31Å; D7-D9 PolarHBondContact O-N 3.49Å; D9-K17 WeakPolarHBondContact O-CD 3.31Å; D9-K17 WeakPolarHBondContact O-CE 3.38Å; D9-K17 PolarHBondContact O-NZ 2.81Å; D9-K17 IonicContact OD1-NZ 2.75Å; D9-K17 PolarHBondContact OD1-NZ 3.19Å; D9-K17 IonicContact OD2-NZ 3.78Å; D9-K17 PolarHBondContact OD2-NZ 3.4Å
10L81.8Confident73.2Confident13 Ų1381.9 Ų81.97%0.06843%0.434CS..Hα-helixtrans-77.7-32.4179.6-73.8165000113.3I6 D7 K17 V18 Y45I6-L10 HydrophobicContact CG2-CD1 4.31Å; I6-L10 PolarHBondContact O-N 3.22Å; D7-L10 PolarHBondContact O-N 3.22Å; L10-K17 HydrophobicContact CD2-CB 4.36Å; L10-K17 PolarHBondContact O-N 3.48Å; L10-V18 HydrophobicContact CD2-CG2 4.27Å; L10-Y45 HydrophobicContact CD1-CE1 3.75Å; L10-Y45 HydrophobicContact CD2-CE1 3.61Å; L10-Y45 HydrophobicContact CD2-CE2 4.32Å; L10-Y45 VanDerWaalsContact CD2-CZ 3.46Å; L10-Y45 VanDerWaalsContact CD2-OH 3.23Å; L10-Y45 WeakPolarHBondContact CD2-OH 3.44Å; L10-Y45 HydrophobicContact CG-CE1 4.36Å
11F88.9Confident74Confident42 Ų4279.1 Ų79.118%0.18442%0.423CS..BIsolated β-bridgetrans-128.484-173.7-50.4-62.7000110.2D7 V18 Y33 H38 V42D7-F11 HydrophobicContact CB-CD2 4.32Å; D7-F11 WeakPolarHBondContact O-CD2 3.41Å; D7-F11 PolarHBondContact O-N 3.49Å; F11-V18 HydrophobicContact CD1-CG2 4.39Å; F11-V18 HydrophobicContact CE1-CB 3.85Å; F11-V18 HydrophobicContact CE1-CG2 3.42Å; F11-V18 VanDerWaalsContact CE1-CG2 3.42Å; F11-V18 HydrophobicContact CZ-CG2 3.7Å; F11-Y33 HydrophobicContact CB-CE1 4.11Å; F11-Y33 HydrophobicContact CD1-CE1 4.02Å; F11-Y33 HydrophobicContact CG-CE1 4.46Å; F11-H38 AromaticContact CD1-CE1 3.71Å; F11-H38 AromaticContact CD1-NE2 4Å; F11-H38 AromaticContact CE1-CE1 3.54Å; F11-H38 AromaticContact CE1-NE2 3.72Å; F11-V42 HydrophobicContact CE1-CG2 3.64Å; F11-V42 HydrophobicContact CZ-CB 4.48Å; F11-V42 HydrophobicContact CZ-CG1 4.02Å; F11-V42 HydrophobicContact CZ-CG2 3.64Å
12T89.2Confident76.9Confident39 Ų3974.5 Ų74.524%0.23940%0.398CS..  trans-93.1168.4177.979.60000111.7Q8 S14 Y15 Y33Q8-T12 WeakPolarHBondContact O-CG2 3.48Å; T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.5Å; T12-Y15 PolarHBondContact N-O 3.39Å; T12-Y15 VanDerWaalsContact N-O 3.1Å; T12-Y15 WeakPolarHBondContact OG1-CA 3.45Å; T12-Y15 PolarHBondContact OG1-N 3.01Å; T12-Y15 PolarHBondContact OG1-O 2.85Å; T12-Y33 PolarHBondContact N-OH 3.34Å; T12-Y33 PolarHBondContact O-OH 3.37Å
13D88.1Confident79.3Confident113 Ų11366.3 Ų66.360%0.60436%0.363SS*.SBendtrans-66.5-29.5179.3-72.1-23.5000113.9R29D13-R29 IonicContact OD1-CZ 2.93Å; D13-R29 IonicContact OD1-NH1 3.24Å; D13-R29 PolarHBondContact OD1-NH1 3.11Å; D13-R29 IonicContact OD2-NH1 3.74Å; D13-R29 PolarHBondContact OD2-NH1 3.39Å
14S90.6Very high81.6Confident72 Ų7269.7 Ų69.750%0.50337%0.374SS..SBendtrans-106.2-14.3-178.158.40000113.5T12 L23T12-S14 VanDerWaalsContact C-N 3.28Å; T12-S14 PolarHBondContact O-N 3.5Å; S14-L23 WeakPolarHBondContact CA-O 3.35Å; S14-L23 PolarHBondContact O-N 3.22Å
15Y92.4Very high83.6Confident94 Ų9468.3 Ų68.337%0.36936%0.364SS..EExtended strand (participates in β ladder)trans-155.4122.4-173.2-170.3-110.5000113.8T12 K17 S20 A21 Q22T12-Y15 PolarHBondContact N-O 3.39Å; T12-Y15 VanDerWaalsContact N-O 3.1Å; T12-Y15 WeakPolarHBondContact OG1-CA 3.45Å; T12-Y15 PolarHBondContact OG1-N 3.01Å; T12-Y15 PolarHBondContact OG1-O 2.85Å; Y15-K17 HydrophobicContact CD1-CG 3.83Å; Y15-K17 HydrophobicContact CE1-CB 4.36Å; Y15-K17 HydrophobicContact CE1-CG 3.82Å; Y15-S20 WeakPolarHBondContact OH-CA 3.38Å; Y15-A21 WeakPolarHBondContact CA-O 3.3Å; Y15-A21 WeakPolarHBondContact CD2-O 3.48Å; Y15-Q22 HydrophobicContact CD2-CB 4.44Å
16C92.6Very high85.5Confident0 Ų069 Ų690%036%0.364CS..EExtended strand (participates in β ladder)trans-92.5109.9169.5177.70000110.1V18 C19 S20 A21 Y33 H38C16-V18 PolarHBondContact O-N 3.4Å; C16-C19 HydrophobicContact CB-CB 4.1Å; C16-C19 PolarHBondContact O-N 3.49Å; C16-C19 PolarHBondContact SG-N 3.33Å; C16-S20 VanDerWaalsContact O-CA 3.29Å; C16-S20 WeakPolarHBondContact O-CA 3.42Å; C16-S20 PolarHBondContact O-N 3.1Å; C16-A21 HydrophobicContact CB-CB 4.46Å; C16-A21 PolarHBondContact N-O 2.99Å; C16-A21 PolarHBondContact O-N 3.45Å; C16-A21 VanDerWaalsContact O-N 3.1Å; C16-Y33 HydrophobicContact CB-CE1 3.95Å; C16-H38 PolarHBondContact SG-CE1 2.73Å
17K87.2Confident87.4Confident83 Ų8368.7 Ų68.736%0.36137%0.37SS..THydrogen-bonded Turntrans-65.3-38.9178.7-63.5-168-176.91770112.2D9 L10 Y15 C19 S20D9-K17 WeakPolarHBondContact O-CD 3.31Å; D9-K17 WeakPolarHBondContact O-CE 3.38Å; D9-K17 PolarHBondContact O-NZ 2.81Å; D9-K17 IonicContact OD1-NZ 2.75Å; D9-K17 PolarHBondContact OD1-NZ 3.19Å; D9-K17 IonicContact OD2-NZ 3.78Å; D9-K17 PolarHBondContact OD2-NZ 3.4Å; L10-K17 HydrophobicContact CD2-CB 4.36Å; L10-K17 PolarHBondContact O-N 3.48Å; Y15-K17 HydrophobicContact CD1-CG 3.83Å; Y15-K17 HydrophobicContact CE1-CB 4.36Å; Y15-K17 HydrophobicContact CE1-CG 3.82Å; K17-C19 VanDerWaalsContact C-N 3.3Å; K17-C19 PolarHBondContact O-N 3.13Å; K17-S20 PolarHBondContact O-N 2.89Å
18V87.2Confident89Confident7 Ų770.4 Ų70.44%0.04238%0.377CS..THydrogen-bonded Turntrans-59.9-42.6176.7173.60000111.3L10 F11 C16 K41 V42 Y45L10-V18 HydrophobicContact CD2-CG2 4.27Å; F11-V18 HydrophobicContact CD1-CG2 4.39Å; F11-V18 HydrophobicContact CE1-CB 3.85Å; F11-V18 HydrophobicContact CE1-CG2 3.42Å; F11-V18 VanDerWaalsContact CE1-CG2 3.42Å; F11-V18 HydrophobicContact CZ-CG2 3.7Å; C16-V18 PolarHBondContact O-N 3.4Å; V18-K41 HydrophobicContact CG1-CB 4.19Å; V18-K41 HydrophobicContact CG1-CD 4.27Å; V18-K41 HydrophobicContact CG1-CG 3.96Å; V18-K41 VanDerWaalsContact O-CD 3.22Å; V18-K41 WeakPolarHBondContact O-CD 3.04Å; V18-K41 WeakPolarHBondContact O-CE 3.35Å; V18-K41 PolarHBondContact O-NZ 2.81Å; V18-V42 HydrophobicContact CG1-CG2 4.02Å; V18-Y45 HydrophobicContact CB-CG 4.49Å; V18-Y45 HydrophobicContact CG1-CD2 4.44Å; V18-Y45 HydrophobicContact CG1-CG 4.21Å; V18-Y45 HydrophobicContact CG2-CD1 3.88Å; V18-Y45 HydrophobicContact CG2-CD2 3.97Å; V18-Y45 HydrophobicContact CG2-CE1 4.32Å; V18-Y45 HydrophobicContact CG2-CE2 4.39Å; V18-Y45 HydrophobicContact CG2-CG 3.71Å
19C89Confident90.3Very high24 Ų2466.2 Ų66.216%0.16236%0.355CS..THydrogen-bonded Turntrans-87-15179.7-68.80000114.1C16 K17 A21 H32 H38 K41C16-C19 HydrophobicContact CB-CB 4.1Å; C16-C19 PolarHBondContact O-N 3.49Å; C16-C19 PolarHBondContact SG-N 3.33Å; K17-C19 VanDerWaalsContact C-N 3.3Å; K17-C19 PolarHBondContact O-N 3.13Å; C19-A21 HydrophobicContact CB-CB 3.75Å; C19-A21 PolarHBondContact O-N 2.98Å; C19-H32 VanDerWaalsContact CB-CE1 3.49Å; C19-H32 WeakPolarHBondContact CB-CE1 3.38Å; C19-H32 WeakPolarHBondContact CB-NE2 3.37Å; C19-H32 PolarHBondContact SG-NE2 3.41Å; C19-H32 VanDerWaalsContact SG-NE2 3.38Å; C19-H38 PolarHBondContact SG-ND1 3.16Å; C19-K41 VanDerWaalsContact CA-NZ 3.32Å; C19-K41 HydrophobicContact CB-CD 4.36Å; C19-K41 PolarHBondContact O-NZ 2.89Å; C19-K41 VanDerWaalsContact O-NZ 3.14Å
20S89.7Confident91.2Very high83 Ų8364.9 Ų64.958%0.5835%0.35SS*.THydrogen-bonded Turntrans50.642.7-164.1-44.40000110.7Y15 C16 K17Y15-S20 WeakPolarHBondContact OH-CA 3.38Å; C16-S20 VanDerWaalsContact O-CA 3.29Å; C16-S20 WeakPolarHBondContact O-CA 3.42Å; C16-S20 PolarHBondContact O-N 3.1Å; K17-S20 PolarHBondContact O-N 2.89Å
21A91.3Very high91.8Very high24 Ų2467.2 Ų67.220%0.19837%0.372CS..EExtended strand (participates in β ladder)trans-115.1125.5-171.900000110.3Y15 C16 C19Y15-A21 WeakPolarHBondContact CA-O 3.3Å; Y15-A21 WeakPolarHBondContact CD2-O 3.48Å; C16-A21 HydrophobicContact CB-CB 4.46Å; C16-A21 PolarHBondContact N-O 2.99Å; C16-A21 PolarHBondContact O-N 3.45Å; C16-A21 VanDerWaalsContact O-N 3.1Å; C19-A21 HydrophobicContact CB-CB 3.75Å; C19-A21 PolarHBondContact O-N 2.98Å
22Q93.7Very high92Very high148 Ų14867 Ų6769%0.69237%0.371SS*.EExtended strand (participates in β ladder)trans-84.5129.9172.4-167.4169.329.300109.9Y15 I24Y15-Q22 HydrophobicContact CD2-CB 4.44Å; Q22-I24 HydrophobicContact CG-CG2 4.35Å
23L93.7Very high92.3Very high11 Ų1168 Ų686%0.05837%0.371CS..  trans-109.5111.3-177.4-57.2172.7000107.1S14 Q28 R29 H32 Y33S14-L23 WeakPolarHBondContact CA-O 3.35Å; S14-L23 PolarHBondContact O-N 3.22Å; L23-Q28 HydrophobicContact CD2-CG 4.32Å; L23-R29 HydrophobicContact CB-CB 4.27Å; L23-R29 HydrophobicContact CD1-CB 4.04Å; L23-R29 HydrophobicContact CD1-CG 3.98Å; L23-H32 HydrophobicContact CD2-CB 3.69Å; L23-Y33 HydrophobicContact CD1-CE1 4.4Å; L23-Y33 HydrophobicContact CD1-CE2 3.88Å
24I93.2Very high92.5Very high140 Ų14070 Ų7072%0.71838%0.376SS*.  trans-99.8-5.6-172.858.1162.9000113.1Q22Q22-I24 HydrophobicContact CG-CG2 4.35Å
25S94.2Very high92.6Very high53 Ų5368 Ų6837%0.37136%0.363SS..SBendtrans-150.8156.1177.561.70000111.2Q28 R29S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 WeakPolarHBondContact OG-CB 3.25Å; S25-Q28 PolarHBondContact OG-N 3.21Å; S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 PolarHBondContact O-N 2.97Å
26E94.1Very high92.5Very high134 Ų13473.9 Ų73.963%0.62638%0.384SS*.Hα-helixtrans-61.8-44.2178.5169.9158.9-136.500112.7Q28 R29 V30E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.35Å; E26-R29 VanDerWaalsContact CD-NH2 3.34Å; E26-R29 WeakPolarHBondContact O-CB 3.37Å; E26-R29 PolarHBondContact O-N 3.25Å; E26-R29 IonicContact OE1-NH2 2.67Å; E26-R29 PolarHBondContact OE1-NH2 3.46Å; E26-V30 WeakPolarHBondContact O-CG2 3.46Å; E26-V30 PolarHBondContact O-N 3.08Å
27S94.3Very high92.3Very high92 Ų9282.5 Ų82.564%0.64342%0.422SS*.Hα-helixtrans-62.2-40.4178.1570000111.9A31S27-A31 WeakPolarHBondContact O-CB 3.34Å; S27-A31 PolarHBondContact O-N 2.84Å
28Q94.4Very high92.6Very high79 Ų7979.3 Ų79.337%0.36941%0.408SS..Hα-helixtrans-65.3-40.6174.5-174.6-17340.500111.8L23 S25 E26 A31 H32L23-Q28 HydrophobicContact CD2-CG 4.32Å; S25-Q28 PolarHBondContact O-N 3.26Å; S25-Q28 WeakPolarHBondContact OG-CB 3.25Å; S25-Q28 PolarHBondContact OG-N 3.21Å; E26-Q28 VanDerWaalsContact C-N 3.32Å; E26-Q28 PolarHBondContact O-N 3.35Å; Q28-A31 PolarHBondContact O-N 2.91Å; Q28-H32 WeakPolarHBondContact O-CB 3.48Å; Q28-H32 PolarHBondContact O-N 3.41Å
29R94.4Very high92.7Very high48 Ų4881.6 Ų81.618%0.18143%0.427CS..Hα-helixtrans-59.3-50.7176.3171.4-175.864.4-179-7111.3D13 L23 S25 E26 H32 Y33D13-R29 IonicContact OD1-CZ 2.93Å; D13-R29 IonicContact OD1-NH1 3.24Å; D13-R29 PolarHBondContact OD1-NH1 3.11Å; D13-R29 IonicContact OD2-NH1 3.74Å; D13-R29 PolarHBondContact OD2-NH1 3.39Å; L23-R29 HydrophobicContact CB-CB 4.27Å; L23-R29 HydrophobicContact CD1-CB 4.04Å; L23-R29 HydrophobicContact CD1-CG 3.98Å; S25-R29 WeakPolarHBondContact O-CB 3.44Å; S25-R29 PolarHBondContact O-N 2.97Å; E26-R29 VanDerWaalsContact CD-NH2 3.34Å; E26-R29 WeakPolarHBondContact O-CB 3.37Å; E26-R29 PolarHBondContact O-N 3.25Å; E26-R29 IonicContact OE1-NH2 2.67Å; E26-R29 PolarHBondContact OE1-NH2 3.46Å; R29-H32 WeakPolarHBondContact O-CB 3.38Å; R29-H32 PolarHBondContact O-N 3.43Å; R29-Y33 HydrophobicContact CG-CD2 3.68Å; R29-Y33 HydrophobicContact CG-CE2 3.56Å; R29-Y33 WeakPolarHBondContact O-CD2 3.08Å; R29-Y33 PolarHBondContact O-N 3.16Å
30V94.3Very high92.6Very high64 Ų6484.3 Ų84.339%0.38845%0.447SS..Hα-helixtrans-60-51.5178.1175.10000110.2E26 H32 Y33 E34E26-V30 WeakPolarHBondContact O-CG2 3.46Å; E26-V30 PolarHBondContact O-N 3.08Å; V30-H32 PolarHBondContact O-N 3.2Å; V30-Y33 PolarHBondContact O-N 3.37Å; V30-E34 HydrophobicContact CG1-CG 4.4Å; V30-E34 WeakPolarHBondContact O-CB 3.5Å; V30-E34 WeakPolarHBondContact O-CG 3.17Å; V30-E34 PolarHBondContact O-N 3.39Å
31A94.4Very high92.4Very high62 Ų6284.5 Ų84.551%0.51244%0.437SS..Hα-helixtrans-59.5-34.1178.200000113S27 Q28 S35S27-A31 WeakPolarHBondContact O-CB 3.34Å; S27-A31 PolarHBondContact O-N 2.84Å; Q28-A31 PolarHBondContact O-N 2.91Å; A31-S35 WeakPolarHBondContact O-CB 3.48Å; A31-S35 PolarHBondContact O-N 3.43Å
32H94.6Very high92.1Very high37 Ų3784.4 Ų84.417%0.17143%0.434CS..Hα-helixtrans-68.2-52.3177.3-178.184.7000111.6C19 L23 Q28 R29 V30 E34 S35 H38C19-H32 VanDerWaalsContact CB-CE1 3.49Å; C19-H32 WeakPolarHBondContact CB-CE1 3.38Å; C19-H32 WeakPolarHBondContact CB-NE2 3.37Å; C19-H32 PolarHBondContact SG-NE2 3.41Å; C19-H32 VanDerWaalsContact SG-NE2 3.38Å; L23-H32 HydrophobicContact CD2-CB 3.69Å; Q28-H32 WeakPolarHBondContact O-CB 3.48Å; Q28-H32 PolarHBondContact O-N 3.41Å; R29-H32 WeakPolarHBondContact O-CB 3.38Å; R29-H32 PolarHBondContact O-N 3.43Å; V30-H32 PolarHBondContact O-N 3.2Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-E34 PolarHBondContact O-N 3.18Å; H32-S35 VanDerWaalsContact O-CB 3.23Å; H32-S35 WeakPolarHBondContact O-CB 3.47Å; H32-S35 PolarHBondContact O-N 3.48Å; H32-S35 PolarHBondContact O-OG 3.19Å; H32-H38 AromaticContact CD2-ND1 3.51Å; H32-H38 AromaticContact NE2-CG 3.96Å; H32-H38 AromaticContact NE2-ND1 3.12Å; H32-H38 PolarHBondContact NE2-ND1 2.78Å; H32-H38 VanDerWaalsContact NE2-ND1 3.12Å; H32-H38 WeakPolarHBondContact O-CB 3.41Å
33Y93.9Very high91.7Very high60 Ų6087.1 Ų87.124%0.23544%0.438CS..Hα-helixtrans-69.2-31.2-176.1-69.9-42.3000113F11 T12 C16 L23 R29 V30 S35 H38F11-Y33 HydrophobicContact CB-CE1 4.11Å; F11-Y33 HydrophobicContact CD1-CE1 4.02Å; F11-Y33 HydrophobicContact CG-CE1 4.46Å; T12-Y33 PolarHBondContact N-OH 3.34Å; T12-Y33 PolarHBondContact O-OH 3.37Å; C16-Y33 HydrophobicContact CB-CE1 3.95Å; L23-Y33 HydrophobicContact CD1-CE1 4.4Å; L23-Y33 HydrophobicContact CD1-CE2 3.88Å; R29-Y33 HydrophobicContact CG-CD2 3.68Å; R29-Y33 HydrophobicContact CG-CE2 3.56Å; R29-Y33 WeakPolarHBondContact O-CD2 3.08Å; R29-Y33 PolarHBondContact O-N 3.16Å; V30-Y33 PolarHBondContact O-N 3.37Å; Y33-S35 VanDerWaalsContact C-N 3.26Å; Y33-S35 PolarHBondContact O-N 3.25Å; Y33-H38 AromaticContact CD1-CE1 3.44Å; Y33-H38 VanDerWaalsContact CD1-CE1 3.44Å; Y33-H38 WeakPolarHBondContact CD1-CE1 3.47Å; Y33-H38 AromaticContact CD1-ND1 3.91Å; Y33-H38 AromaticContact CD1-NE2 3.56Å; Y33-H38 AromaticContact CE1-CE1 3.64Å
34E92.6Very high91Very high154 Ų15489.3 Ų89.372%0.7245%0.45SS*.THydrogen-bonded Turntrans-78.8-8.7172.3-65.3-176.9163.500113.3V30 H32V30-E34 HydrophobicContact CG1-CG 4.4Å; V30-E34 WeakPolarHBondContact O-CB 3.5Å; V30-E34 WeakPolarHBondContact O-CG 3.17Å; V30-E34 PolarHBondContact O-N 3.39Å; H32-E34 VanDerWaalsContact C-N 3.34Å; H32-E34 PolarHBondContact O-N 3.18Å
35S93.2Very high90.4Very high31 Ų3185.7 Ų85.722%0.21743%0.427CS..  trans-68.8139.2-17678.80000112.6A31 H32 Y33 K37 H38 A39A31-S35 WeakPolarHBondContact O-CB 3.48Å; A31-S35 PolarHBondContact O-N 3.43Å; H32-S35 VanDerWaalsContact O-CB 3.23Å; H32-S35 WeakPolarHBondContact O-CB 3.47Å; H32-S35 PolarHBondContact O-N 3.48Å; H32-S35 PolarHBondContact O-OG 3.19Å; Y33-S35 VanDerWaalsContact C-N 3.26Å; Y33-S35 PolarHBondContact O-N 3.25Å; S35-K37 PolarHBondContact O-N 2.88Å; S35-H38 PolarHBondContact O-N 3.36Å; S35-H38 VanDerWaalsContact O-N 3.14Å; S35-H38 WeakPolarHBondContact OG-CB 3.36Å; S35-H38 PolarHBondContact OG-N 3.11Å; S35-A39 PolarHBondContact O-N 2.75Å
36R91.4Very high89.6Confident218 Ų21887.1 Ų87.182%0.82343%0.425SS*.Hα-helixtrans-58.1-31.1173.1-60.4-69.8-73.2-157-5.3112.7S40R36-S40 WeakPolarHBondContact O-CB 3.42Å; R36-S40 PolarHBondContact O-N 2.83Å; R36-S40 VanDerWaalsContact O-N 3.08Å; R36-S40 PolarHBondContact O-OG 2.95Å
37K88.1Confident88.6Confident181 Ų18184.6 Ų84.679%0.78741%0.414SS*.Hα-helixtrans-67-48.1177.2-66.9-177.4-178.2175.10110.5S35 S40 K41S35-K37 PolarHBondContact O-N 2.88Å; K37-S40 PolarHBondContact O-N 2.99Å; K37-K41 PolarHBondContact O-N 3.47Å
38H92.3Very high87.4Confident16 Ų1681.8 Ų81.87%0.07439%0.392CS..Hα-helixtrans-59.6-52.1175.2178.187.2000110.9F11 C16 C19 H32 Y33 S35 S40 K41 V42F11-H38 AromaticContact CD1-CE1 3.71Å; F11-H38 AromaticContact CD1-NE2 4Å; F11-H38 AromaticContact CE1-CE1 3.54Å; F11-H38 AromaticContact CE1-NE2 3.72Å; C16-H38 PolarHBondContact SG-CE1 2.73Å; C19-H38 PolarHBondContact SG-ND1 3.16Å; H32-H38 AromaticContact CD2-ND1 3.51Å; H32-H38 AromaticContact NE2-CG 3.96Å; H32-H38 AromaticContact NE2-ND1 3.12Å; H32-H38 PolarHBondContact NE2-ND1 2.78Å; H32-H38 VanDerWaalsContact NE2-ND1 3.12Å; H32-H38 WeakPolarHBondContact O-CB 3.41Å; Y33-H38 AromaticContact CD1-CE1 3.44Å; Y33-H38 VanDerWaalsContact CD1-CE1 3.44Å; Y33-H38 WeakPolarHBondContact CD1-CE1 3.47Å; Y33-H38 AromaticContact CD1-ND1 3.91Å; Y33-H38 AromaticContact CD1-NE2 3.56Å; Y33-H38 AromaticContact CE1-CE1 3.64Å; S35-H38 PolarHBondContact O-N 3.36Å; S35-H38 VanDerWaalsContact O-N 3.14Å; S35-H38 WeakPolarHBondContact OG-CB 3.36Å; S35-H38 PolarHBondContact OG-N 3.11Å; H38-S40 VanDerWaalsContact C-N 3.26Å; H38-S40 PolarHBondContact O-N 3.04Å; H38-K41 CarbonylContact O-C 3.56Å; H38-K41 WeakPolarHBondContact O-CA 3.32Å; H38-K41 PolarHBondContact O-N 2.6Å; H38-V42 WeakPolarHBondContact NE2-CG2 3.42Å; H38-V42 WeakPolarHBondContact O-CG2 3.42Å; H38-V42 PolarHBondContact O-N 2.79Å
39A90Very high86.3Confident54 Ų5482.7 Ų82.745%0.44640%0.396SS..Hα-helixtrans-54.1-41.6178.700000113S35 R43S35-A39 PolarHBondContact O-N 2.75Å; A39-R43 PolarHBondContact O-N 2.99Å
40S86.1Confident84.6Confident82 Ų8282.4 Ų82.457%0.57340%0.4SS*.Hα-helixtrans-66.5-39.2176.4-60.80000112.3R36 K37 H38 L44R36-S40 WeakPolarHBondContact O-CB 3.42Å; R36-S40 PolarHBondContact O-N 2.83Å; R36-S40 VanDerWaalsContact O-N 3.08Å; R36-S40 PolarHBondContact O-OG 2.95Å; K37-S40 PolarHBondContact O-N 2.99Å; H38-S40 VanDerWaalsContact C-N 3.26Å; H38-S40 PolarHBondContact O-N 3.04Å; S40-L44 PolarHBondContact O-N 3.18Å; S40-L44 VanDerWaalsContact O-N 3.15Å
41K86.1Confident82.8Confident86 Ų8685.4 Ų85.437%0.37440%0.404SS..Hα-helixtrans-70.6-38.1178.2-156.6179.1-171.2-164.40112.1V18 C19 K37 H38 L44 Y45V18-K41 HydrophobicContact CG1-CB 4.19Å; V18-K41 HydrophobicContact CG1-CD 4.27Å; V18-K41 HydrophobicContact CG1-CG 3.96Å; V18-K41 VanDerWaalsContact O-CD 3.22Å; V18-K41 WeakPolarHBondContact O-CD 3.04Å; V18-K41 WeakPolarHBondContact O-CE 3.35Å; V18-K41 PolarHBondContact O-NZ 2.81Å; C19-K41 VanDerWaalsContact CA-NZ 3.32Å; C19-K41 HydrophobicContact CB-CD 4.36Å; C19-K41 PolarHBondContact O-NZ 2.89Å; C19-K41 VanDerWaalsContact O-NZ 3.14Å; K37-K41 PolarHBondContact O-N 3.47Å; H38-K41 CarbonylContact O-C 3.56Å; H38-K41 WeakPolarHBondContact O-CA 3.32Å; H38-K41 PolarHBondContact O-N 2.6Å; K41-L44 PolarHBondContact O-N 3.36Å; K41-Y45 WeakPolarHBondContact O-CB 3.04Å; K41-Y45 PolarHBondContact O-N 3.5Å
42V86.1Confident80.9Confident22 Ų2290 Ų9013%0.13342%0.421CS..Hα-helixtrans-61.9-45.8173.5172.80000111.3F11 V18 H38 L44 Y45 Y46F11-V42 HydrophobicContact CE1-CG2 3.64Å; F11-V42 HydrophobicContact CZ-CB 4.48Å; F11-V42 HydrophobicContact CZ-CG1 4.02Å; F11-V42 HydrophobicContact CZ-CG2 3.64Å; V18-V42 HydrophobicContact CG1-CG2 4.02Å; H38-V42 WeakPolarHBondContact NE2-CG2 3.42Å; H38-V42 WeakPolarHBondContact O-CG2 3.42Å; H38-V42 PolarHBondContact O-N 2.79Å; V42-L44 VanDerWaalsContact C-N 3.27Å; V42-L44 PolarHBondContact O-N 3.04Å; V42-Y45 WeakPolarHBondContact O-CB 3.46Å; V42-Y45 PolarHBondContact O-N 3.24Å; V42-Y45 VanDerWaalsContact O-N 3.08Å; V42-Y46 HydrophobicContact CG1-CD2 3.64Å; V42-Y46 HydrophobicContact CG1-CE2 3.26Å; V42-Y46 WeakPolarHBondContact O-CD2 3.36Å; V42-Y46 PolarHBondContact O-N 3.39Å
43R84.4Confident78.6Confident205 Ų20591.9 Ų91.977%0.77445%0.45SS*.Hα-helixtrans-57.8-42.6175.3-173.3177.2-179.6-1791.3111.8A39 M47A39-R43 PolarHBondContact O-N 2.99Å; R43-M47 WeakPolarHBondContact O-CB 3.39Å; R43-M47 PolarHBondContact O-N 3.1Å
44L78.5Confident75.9Confident58 Ų5890.9 Ų90.930%0.30446%0.458SS..Hα-helixtrans-66.3-40.9174.7179.960.3000111.8S40 K41 V42 M47 L48S40-L44 PolarHBondContact O-N 3.18Å; S40-L44 VanDerWaalsContact O-N 3.15Å; K41-L44 PolarHBondContact O-N 3.36Å; V42-L44 VanDerWaalsContact C-N 3.27Å; V42-L44 PolarHBondContact O-N 3.04Å; L44-M47 HydrophobicContact CD1-CE 3.54Å; L44-M47 PolarHBondContact O-N 3.4Å; L44-L48 HydrophobicContact CD1-CD1 3.83Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 3.83Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.39Å; L44-L48 PolarHBondContact O-N 2.93Å; L44-L48 VanDerWaalsContact O-N 3.09Å
45Y81Confident73.7Confident64 Ų6486.8 Ų86.825%0.25145%0.445SS..Hα-helixtrans-59.8-51.4-179.6-178.8-93.2000112L10 V18 K41 V42 M47 L48 H49L10-Y45 HydrophobicContact CD1-CE1 3.75Å; L10-Y45 HydrophobicContact CD2-CE1 3.61Å; L10-Y45 HydrophobicContact CD2-CE2 4.32Å; L10-Y45 VanDerWaalsContact CD2-CZ 3.46Å; L10-Y45 VanDerWaalsContact CD2-OH 3.23Å; L10-Y45 WeakPolarHBondContact CD2-OH 3.44Å; L10-Y45 HydrophobicContact CG-CE1 4.36Å; V18-Y45 HydrophobicContact CB-CG 4.49Å; V18-Y45 HydrophobicContact CG1-CD2 4.44Å; V18-Y45 HydrophobicContact CG1-CG 4.21Å; V18-Y45 HydrophobicContact CG2-CD1 3.88Å; V18-Y45 HydrophobicContact CG2-CD2 3.97Å; V18-Y45 HydrophobicContact CG2-CE1 4.32Å; V18-Y45 HydrophobicContact CG2-CE2 4.39Å; V18-Y45 HydrophobicContact CG2-CG 3.71Å; K41-Y45 WeakPolarHBondContact O-CB 3.04Å; K41-Y45 PolarHBondContact O-N 3.5Å; V42-Y45 WeakPolarHBondContact O-CB 3.46Å; V42-Y45 PolarHBondContact O-N 3.24Å; V42-Y45 VanDerWaalsContact O-N 3.08Å; Y45-M47 VanDerWaalsContact C-N 3.28Å; Y45-M47 PolarHBondContact O-N 3.3Å; Y45-L48 CarbonylContact O-C 3.6Å; Y45-L48 PolarHBondContact O-N 3.46Å; Y45-L48 VanDerWaalsContact O-N 3.1Å; Y45-H49 AromaticContact CD2-ND1 3.77Å; Y45-H49 HydrophobicContact CE1-CB 4.16Å; Y45-H49 AromaticContact CE2-CE1 3.84Å; Y45-H49 AromaticContact CE2-ND1 3.6Å; Y45-H49 AromaticContact CZ-CG 3.95Å; Y45-H49 AromaticContact CZ-ND1 3.94Å; Y45-H49 PolarHBondContact O-N 3.49Å; Y45-H49 PolarHBondContact O-ND1 3.09Å
46Y77.8Confident71.5Confident83 Ų8388.1 Ų88.133%0.32545%0.453SS..Hα-helixtrans-66-30.2177.6-69.5-60000113.2D7 V42 L48 H49D7-Y46 PolarHBondContact OD1-OH 3.03Å; V42-Y46 HydrophobicContact CG1-CD2 3.64Å; V42-Y46 HydrophobicContact CG1-CE2 3.26Å; V42-Y46 WeakPolarHBondContact O-CD2 3.36Å; V42-Y46 PolarHBondContact O-N 3.39Å; Y46-L48 PolarHBondContact O-N 3.37Å; Y46-H49 CarbonylContact O-C 3.4Å
47M71.9Confident69.4Low81 Ų8179.7 Ų79.740%0.39943%0.43SS..Hα-helixtrans-67.3-29.2174.8-172.4172.862.500111.9R43 L44 Y45 P56 S83R43-M47 WeakPolarHBondContact O-CB 3.39Å; R43-M47 PolarHBondContact O-N 3.1Å; L44-M47 HydrophobicContact CD1-CE 3.54Å; L44-M47 PolarHBondContact O-N 3.4Å; Y45-M47 VanDerWaalsContact C-N 3.28Å; Y45-M47 PolarHBondContact O-N 3.3Å; M47-P56 WeakPolarHBondContact O-CB 3.4Å; M47-S83 WeakPolarHBondContact CE-OG 3.43Å
48L70.6Confident67Low33 Ų3380.9 Ų80.917%0.17344%0.435CS..Hα-helixtrans-91.3-28.7178.3-66167.5000112.9L44 Y45 Y46 P50 C76 N81L44-L48 HydrophobicContact CD1-CD1 3.83Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 3.83Å; L44-L48 VanDerWaalsContact O-CG 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.39Å; L44-L48 PolarHBondContact O-N 2.93Å; L44-L48 VanDerWaalsContact O-N 3.09Å; Y45-L48 CarbonylContact O-C 3.6Å; Y45-L48 PolarHBondContact O-N 3.46Å; Y45-L48 VanDerWaalsContact O-N 3.1Å; Y46-L48 PolarHBondContact O-N 3.37Å; L48-P50 VanDerWaalsContact O-CD 3.29Å; L48-P50 WeakPolarHBondContact O-CD 3.32Å; L48-C76 HydrophobicContact CD2-CB 4.39Å; L48-N81 VanDerWaalsContact CD1-CG 3.42Å; L48-N81 VanDerWaalsContact CD1-ND2 3.26Å; L48-N81 WeakPolarHBondContact CD1-ND2 3.47Å; L48-N81 WeakPolarHBondContact CD1-OD1 3.49Å
49H69.8Low64.5Low98 Ų9891.7 Ų91.745%0.45448%0.475SS..SBendtrans-121.270.8-179.9-56.780.4000110.1Y45 Y46 R51Y45-H49 AromaticContact CD2-ND1 3.77Å; Y45-H49 HydrophobicContact CE1-CB 4.16Å; Y45-H49 AromaticContact CE2-CE1 3.84Å; Y45-H49 AromaticContact CE2-ND1 3.6Å; Y45-H49 AromaticContact CZ-CG 3.95Å; Y45-H49 AromaticContact CZ-ND1 3.94Å; Y45-H49 PolarHBondContact O-N 3.49Å; Y45-H49 PolarHBondContact O-ND1 3.09Å; Y46-H49 CarbonylContact O-C 3.4Å; H49-R51 PolarHBondContact O-N 2.9Å
50P59.8Low62.1Low41 Ų4196.7 Ų96.727%0.26649%0.494SS..  trans-62132.7174.221.3-28.2000110.5L48 D52 G53 G54L48-P50 VanDerWaalsContact O-CD 3.29Å; L48-P50 WeakPolarHBondContact O-CD 3.32Å; P50-D52 PolarHBondContact O-N 3.44Å; P50-G53 PolarHBondContact O-N 3.36Å; P50-G53 VanDerWaalsContact O-N 3.09Å; P50-G54 VanDerWaalsContact CB-O 3.23Å; P50-G54 WeakPolarHBondContact CB-O 3.27Å; P50-G54 WeakPolarHBondContact CG-O 3.37Å
51R55.3Low59.8Low127 Ų127102.3 Ų102.348%0.47950%0.503SS..THydrogen-bonded Turntrans-54.4-26.3-171.5-60.7-174.8108.1-158.811.9115S3 D7 H49S3-R51 PolarHBondContact O-NH2 2.97Å; S3-R51 VanDerWaalsContact O-NH2 3.13Å; D7-R51 IonicContact OD2-NH2 2.66Å; H49-R51 PolarHBondContact O-N 2.9Å
52D54.4Low57.5Low160 Ų160104.1 Ų104.186%0.85653%0.526SS*.THydrogen-bonded Turntrans-102.815.1-175.9-74.2-56.6000113.7P50 G54P50-D52 PolarHBondContact O-N 3.44Å; D52-G54 PolarHBondContact O-N 3.42Å
53G46.8Very low55.1Low76 Ų76109.3 Ų109.378%0.78455%0.549SS*.SBendtrans62.64-175.600000114.1P50P50-G53 PolarHBondContact O-N 3.36Å; P50-G53 VanDerWaalsContact O-N 3.09Å
54G37.8Very low53Low39 Ų39107 Ų10740%0.40255%0.551SS.*  trans-85.5126.6179.400000111.2P50 D52P50-G54 VanDerWaalsContact CB-O 3.23Å; P50-G54 WeakPolarHBondContact CB-O 3.27Å; P50-G54 WeakPolarHBondContact CG-O 3.37Å; D52-G54 PolarHBondContact O-N 3.42Å
55C45.5Very low50.8Low67 Ų67107.4 Ų107.445%0.45357%0.57SS.*  trans-43.1137.5174.1173.60000112A57C55-A57 PolarHBondContact O-N 3.49Å
56P48.8Very low48.8Very low59 Ų59110.1 Ų110.138%0.38360%0.599SS.*G310 helixtrans-59.3-1.2-168.720.5-34.4000117M47M47-P56 WeakPolarHBondContact O-CB 3.4Å
57A47.3Very low47Very low41 Ų41113.3 Ų113.334%0.33962%0.621SS.*G310 helixtrans-79-15.6-170.100000115.8C55 R59 K75C55-A57 PolarHBondContact O-N 3.49Å; A57-R59 PolarHBondContact O-N 3.29Å; A57-R59 VanDerWaalsContact O-N 3.09Å; A57-K75 HydrophobicContact CB-CD 3.99Å
58K37.4Very low45.8Very low206 Ų206114.4 Ų114.490%0.89664%0.643SS**G310 helixtrans-76.36.7-172.8-93.8-173.3177.4179.40116.3
59R39.2Very low44.7Very low243 Ų243119.6 Ų119.692%0.91767%0.671SS**G310 helixtrans-117.31.2179.3-67.5-79.6-133.6-115.7-6.2115.1A57A57-R59 PolarHBondContact O-N 3.29Å; A57-R59 VanDerWaalsContact O-N 3.09Å
60L40.2Very low43.6Very low160 Ų160123.3 Ų123.384%0.83869%0.691SS**SBendtrans-131.694.1172.2-157.669.9000110.4
61R37.7Very low43.1Very low200 Ų200128.1 Ų128.176%0.75572%0.719SS**  trans73.795.5167.8-161.8-176.3175.3108.85.8115.9E63R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE2 3.7Å; R61-E63 IonicContact NH2-OE2 3.65Å; R61-E63 PolarHBondContact NH2-OE2 2.98Å; R61-E63 PolarHBondContact O-N 3.12Å
62S37Very low43.3Very low123 Ų123125.5 Ų125.586%0.8671%0.714SS**  trans-64.3112.8153.1-64.20000109
63E36.8Very low43.5Very low132 Ų132125 Ų12562%0.61771%0.705SS**  trans-152.3116145.1-107.8-165.4109.700108.3R61R61-E63 IonicContact CZ-OE2 2.72Å; R61-E63 IonicContact NE-OE2 3.7Å; R61-E63 IonicContact NH2-OE2 3.65Å; R61-E63 PolarHBondContact NH2-OE2 2.98Å; R61-E63 PolarHBondContact O-N 3.12Å
64N38.5Very low44.3Very low155 Ų155123.5 Ų123.583%0.82968%0.679SS**  trans56.5120.9158.1-67.3-2000120.8
65G33.5Very low45.8Very low68 Ų68125.3 Ų125.370%0.70168%0.675SS**  trans114.299.4132.200000117
66S39.5Very low47.2Very low121 Ų121124 Ų12485%0.84667%0.667SS**  trans35.1105.313055.10000119.6
67D39.7Very low48.7Very low150 Ų150121.4 Ų121.480%0.80265%0.65SS**  171124110.2-167.8-106.9000108.4
68A46.8Very low50Low104 Ų104124.9 Ų124.986%0.8667%0.667SS**  trans-101.519.1-153.700000115.7
69D47.2Very low52Low142 Ų142118.2 Ų118.276%0.75964%0.641SS**SBendtrans-133.7-11.7-176.4-158.3-116.7000117.1V71D69-V71 PolarHBondContact O-N 3.34Å; D69-V71 VanDerWaalsContact O-N 3.12Å
70M47.5Very low53.9Low176 Ų176107 Ų10787%0.86760%0.599SS**SBendtrans-84.694.9168.9-110.1-160.9-18000110.1D72M70-D72 PolarHBondContact O-N 3.32Å
71V48.7Very low55.7Low141 Ų141103.3 Ų103.386%0.85558%0.58SS**  trans-44.1107.2170.8-146.20000108.5D69 K73D69-V71 PolarHBondContact O-N 3.34Å; D69-V71 VanDerWaalsContact O-N 3.12Å; V71-K73 PolarHBondContact O-N 3.18Å
72D59.6Low57.7Low72 Ų7297.7 Ų97.739%0.38556%0.564SS.*  trans-63.977.5-163-165.83000111.3M70 N74 K75M70-D72 PolarHBondContact O-N 3.32Å; D72-N74 PolarHBondContact O-N 3.04Å; D72-K75 PolarHBondContact O-N 3.46Å; D72-K75 WeakPolarHBondContact OD2-CD 3.5Å; D72-K75 WeakPolarHBondContact OD2-CE 2.97Å; D72-K75 IonicContact OD2-NZ 2.66Å; D72-K75 PolarHBondContact OD2-NZ 3.5Å
73K59.1Low59.6Low151 Ų15194.1 Ų94.166%0.65754%0.539SS*.THydrogen-bonded Turntrans-56.7-15.9179.7-167.8168.4170.1-1650111V71 K75 Y94V71-K73 PolarHBondContact O-N 3.18Å; K73-K75 PolarHBondContact O-N 3.12Å; K73-Y94 HydrophobicContact CG-CE2 4.24Å; K73-Y94 WeakPolarHBondContact O-CE2 3.39Å; K73-Y94 PolarHBondContact O-OH 2.55Å
74N63.6Low61.8Low43 Ų4388.8 Ų88.823%0.2351%0.514CS..THydrogen-bonded Turntrans-84.13.7-175-75.177.1000115.6D72 A87 A90 D91D72-N74 PolarHBondContact O-N 3.04Å; N74-A87 HydrophobicContact CB-CB 3.95Å; N74-A87 WeakPolarHBondContact ND2-CB 3.46Å; N74-A87 PolarHBondContact ND2-O 2.76Å; N74-A90 HydrophobicContact CB-CB 4.35Å; N74-A90 WeakPolarHBondContact O-CB 3.36Å; N74-D91 PolarHBondContact ND2-OD1 3.45Å
75K68.9Low63.8Low77 Ų7788.1 Ų88.134%0.33552%0.515SS..SBendtrans-111.9-28.9-177.3-72.6-178.4178.3146.30116A57 D72 K73 S83 F84A57-K75 HydrophobicContact CB-CD 3.99Å; D72-K75 PolarHBondContact O-N 3.46Å; D72-K75 WeakPolarHBondContact OD2-CD 3.5Å; D72-K75 WeakPolarHBondContact OD2-CE 2.97Å; D72-K75 IonicContact OD2-NZ 2.66Å; D72-K75 PolarHBondContact OD2-NZ 3.5Å; K73-K75 PolarHBondContact O-N 3.12Å; K75-S83 CarbonylContact O-C 3.55Å; K75-S83 WeakPolarHBondContact O-CA 3.09Å; K75-F84 PolarHBondContact O-N 3.05Å
76C73.7Confident66Low40 Ų4087.3 Ų87.327%0.2750%0.499SS..EExtended strand (participates in β ladder)trans-153139.9176.659.50000112.6L48 M82 Y94L48-C76 HydrophobicContact CD2-CB 4.39Å; C76-M82 CarbonylContact C-O 3.59Å; C76-M82 VanDerWaalsContact CA-O 3.24Å; C76-M82 WeakPolarHBondContact CA-O 3.46Å; C76-Y94 PolarHBondContact O-OH 2.84Å
77C80.8Confident68.1Low4 Ų483.9 Ų83.93%0.02748%0.478CS..EExtended strand (participates in β ladder)trans-99.5107.2168.9178.60000109C80 N81 M82 F84 H93 Y94 H99C77-C80 HydrophobicContact CB-CB 4.12Å; C77-C80 CarbonylContact O-C 3.47Å; C77-C80 PolarHBondContact O-N 3.26Å; C77-C80 VanDerWaalsContact SG-CB 3.57Å; C77-C80 PolarHBondContact SG-N 3.03Å; C77-N81 WeakPolarHBondContact O-CA 3.28Å; C77-N81 PolarHBondContact O-N 2.92Å; C77-M82 PolarHBondContact N-O 3.18Å; C77-M82 PolarHBondContact O-N 2.77Å; C77-F84 HydrophobicContact CB-CE2 3.82Å; C77-F84 HydrophobicContact CB-CZ 3.92Å; C77-H93 VanDerWaalsContact CB-NE2 3.28Å; C77-H93 WeakPolarHBondContact CB-NE2 3.33Å; C77-H93 PolarHBondContact SG-NE2 2.86Å; C77-H93 VanDerWaalsContact SG-NE2 3.36Å; C77-Y94 HydrophobicContact CB-CE1 3.76Å; C77-H99 PolarHBondContact SG-CE1 3.02Å; C77-H99 PolarHBondContact SG-ND1 3.44Å
78T74.9Confident70.2Confident115 Ų11582.1 Ų82.171%0.70647%0.473SS*.THydrogen-bonded Turntrans-66.4-38.7175.853.30000111.8C80 N81T78-C80 PolarHBondContact O-N 3.16Å; T78-C80 VanDerWaalsContact O-N 3.16Å; T78-N81 PolarHBondContact O-N 2.8Å; T78-N81 VanDerWaalsContact O-N 3.11Å
79L78.8Confident71.8Confident66 Ų6680.6 Ų80.635%0.34645%0.452SS..THydrogen-bonded Turntrans-56.4-33.2174.7-62.4179.3000112.8L103 L106L79-L103 HydrophobicContact CD1-CD2 3.26Å; L79-L103 HydrophobicContact CD1-CG 3.89Å; L79-L106 HydrophobicContact CD2-CD2 3.27Å
80C80.4Confident73.6Confident6 Ų673.8 Ų73.84%0.04142%0.416CS..THydrogen-bonded Turntrans-103.8-5.6-179.9-690000114.6C77 T78 M82 H93 H99 R102C77-C80 HydrophobicContact CB-CB 4.12Å; C77-C80 CarbonylContact O-C 3.47Å; C77-C80 PolarHBondContact O-N 3.26Å; C77-C80 VanDerWaalsContact SG-CB 3.57Å; C77-C80 PolarHBondContact SG-N 3.03Å; T78-C80 PolarHBondContact O-N 3.16Å; T78-C80 VanDerWaalsContact O-N 3.16Å; C80-M82 HydrophobicContact CB-CB 4.35Å; C80-M82 HydrophobicContact CB-CG 4.06Å; C80-M82 HydrophobicContact CB-SD 4.2Å; C80-M82 PolarHBondContact O-N 2.98Å; C80-H93 WeakPolarHBondContact CB-CE1 3.37Å; C80-H93 WeakPolarHBondContact CB-NE2 3.23Å; C80-H93 PolarHBondContact SG-CE1 2.83Å; C80-H93 PolarHBondContact SG-NE2 2.9Å; C80-H93 VanDerWaalsContact SG-NE2 3.35Å; C80-H99 PolarHBondContact SG-ND1 2.83Å; C80-R102 PolarHBondContact O-NH1 2.82Å; C80-R102 WeakPolarHBondContact SG-CD 3.41Å
81N77Confident75.4Confident83 Ų8369 Ų6944%0.44439%0.394SS..THydrogen-bonded Turntrans50.444.5-171-157.577.6000112.2L48 C77 T78L48-N81 VanDerWaalsContact CD1-CG 3.42Å; L48-N81 VanDerWaalsContact CD1-ND2 3.26Å; L48-N81 WeakPolarHBondContact CD1-ND2 3.47Å; L48-N81 WeakPolarHBondContact CD1-OD1 3.49Å; C77-N81 WeakPolarHBondContact O-CA 3.28Å; C77-N81 PolarHBondContact O-N 2.92Å; T78-N81 PolarHBondContact O-N 2.8Å; T78-N81 VanDerWaalsContact O-N 3.11Å
82M79.2Confident77.2Confident82 Ų8266 Ų6640%0.40438%0.379SS..EExtended strand (participates in β ladder)trans-121.1137-178.1-71.2-17769.600110.6C76 C77 C80 F84 H93C76-M82 CarbonylContact C-O 3.59Å; C76-M82 VanDerWaalsContact CA-O 3.24Å; C76-M82 WeakPolarHBondContact CA-O 3.46Å; C77-M82 PolarHBondContact N-O 3.18Å; C77-M82 PolarHBondContact O-N 2.77Å; C80-M82 HydrophobicContact CB-CB 4.35Å; C80-M82 HydrophobicContact CB-CG 4.06Å; C80-M82 HydrophobicContact CB-SD 4.2Å; C80-M82 PolarHBondContact O-N 2.98Å; M82-F84 HydrophobicContact CB-CE1 3.9Å; M82-F84 HydrophobicContact CB-CZ 3.72Å; M82-F84 HydrophobicContact CE-CE1 4.06Å; M82-H93 PolarHBondContact SD-CE1 3.15Å; M82-H93 PolarHBondContact SD-ND1 3.13Å; M82-H93 VanDerWaalsContact SD-ND1 3.45Å
83S77.8Confident78.5Confident48 Ų4863.5 Ų63.534%0.33637%0.365SS..EExtended strand (participates in β ladder)trans-110.1140.8171.659.90000110.2M47 K75M47-S83 WeakPolarHBondContact CE-OG 3.43Å; K75-S83 CarbonylContact O-C 3.55Å; K75-S83 WeakPolarHBondContact O-CA 3.09Å
84F83.6Confident79.9Confident20 Ų2058.8 Ų58.89%0.08834%0.343CS..  trans-112.5142.9-177.4-48.1-65.7000110.4K75 C77 M82 S86 V89 A90 H93K75-F84 PolarHBondContact O-N 3.05Å; C77-F84 HydrophobicContact CB-CE2 3.82Å; C77-F84 HydrophobicContact CB-CZ 3.92Å; M82-F84 HydrophobicContact CB-CE1 3.9Å; M82-F84 HydrophobicContact CB-CZ 3.72Å; M82-F84 HydrophobicContact CE-CE1 4.06Å; F84-S86 VanDerWaalsContact C-N 3.34Å; F84-V89 HydrophobicContact CB-CB 4.47Å; F84-V89 HydrophobicContact CB-CG1 4.38Å; F84-V89 HydrophobicContact CD1-CG1 3.89Å; F84-A90 HydrophobicContact CB-CB 3.84Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.27Å; F84-A90 HydrophobicContact CE2-CB 4.04Å; F84-A90 HydrophobicContact CG-CB 3.65Å; F84-H93 HydrophobicContact CD1-CB 4.2Å; F84-H93 HydrophobicContact CE1-CB 3.36Å; F84-H93 AromaticContact CE1-CG 3.41Å; F84-H93 VanDerWaalsContact CE1-CG 3.41Å; F84-H93 AromaticContact CE1-ND1 3.69Å; F84-H93 HydrophobicContact CE2-CB 4.11Å; F84-H93 AromaticContact CE2-CD2 3.87Å; F84-H93 AromaticContact CE2-CG 4Å; F84-H93 HydrophobicContact CZ-CB 3.35Å; F84-H93 AromaticContact CZ-CD2 3.22Å; F84-H93 WeakPolarHBondContact CZ-CD2 3.2Å; F84-H93 AromaticContact CZ-CE1 3.94Å; F84-H93 AromaticContact CZ-CG 3.05Å; F84-H93 AromaticContact CZ-ND1 3.54Å; F84-H93 AromaticContact CZ-NE2 3.78Å
85T79.8Confident80.8Confident141 Ų14164.8 Ų64.887%0.86537%0.37SS*.SBendtrans-85.4-9.5177.2540000112.8
86S80.2Confident81.7Confident51 Ų5162.2 Ų62.236%0.35737%0.366SS..SBendtrans-154.2155.4178.5690000111.8F84 V88 V89 A90F84-S86 VanDerWaalsContact C-N 3.34Å; S86-V88 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3.02Å; S86-V89 PolarHBondContact O-N 2.92Å; S86-V89 VanDerWaalsContact OG-CG2 3.24Å; S86-V89 WeakPolarHBondContact OG-CG2 3.45Å; S86-V89 PolarHBondContact OG-N 3.48Å; S86-A90 PolarHBondContact O-N 3.24Å; S86-A90 VanDerWaalsContact O-N 3.09Å
87A82.2Confident82.4Confident49 Ų4969.5 Ų69.541%0.40539%0.392SS..Hα-helixtrans-58.3-42.3178.200000112.8N74 V89 A90 D91N74-A87 HydrophobicContact CB-CB 3.95Å; N74-A87 WeakPolarHBondContact ND2-CB 3.46Å; N74-A87 PolarHBondContact ND2-O 2.76Å; A87-V89 VanDerWaalsContact C-N 3.3Å; A87-V89 PolarHBondContact O-N 3.46Å; A87-A90 WeakPolarHBondContact O-CB 3.1Å; A87-A90 PolarHBondContact O-N 3.42Å; A87-A90 VanDerWaalsContact O-N 3.11Å; A87-D91 PolarHBondContact O-N 3.23Å
88V84.5Confident82.5Confident114 Ų11474.6 Ų74.669%0.69142%0.419SS*.Hα-helixtrans-61-39178.7-179.30000111.9S86 S92S86-V88 VanDerWaalsContact C-N 3.33Å; S86-V88 PolarHBondContact O-N 3.02Å; V88-S92 WeakPolarHBondContact O-CB 3.38Å; V88-S92 PolarHBondContact O-N 2.8Å
89V81.1Confident83Confident71 Ų7169.7 Ų69.743%0.4339%0.387SS..Hα-helixtrans-72.4-34.7178177.50000110.7F84 S86 A87 H93F84-V89 HydrophobicContact CB-CB 4.47Å; F84-V89 HydrophobicContact CB-CG1 4.38Å; F84-V89 HydrophobicContact CD1-CG1 3.89Å; S86-V89 PolarHBondContact O-N 2.92Å; S86-V89 VanDerWaalsContact OG-CG2 3.24Å; S86-V89 WeakPolarHBondContact OG-CG2 3.45Å; S86-V89 PolarHBondContact OG-N 3.48Å; A87-V89 VanDerWaalsContact C-N 3.3Å; A87-V89 PolarHBondContact O-N 3.46Å; V89-H93 WeakPolarHBondContact O-CB 3.36Å; V89-H93 PolarHBondContact O-N 2.98Å
90A83.5Confident83.5Confident0 Ų068.4 Ų68.40%039%0.386CS..Hα-helixtrans-66.2-45.1173.800000112.4N74 F84 S86 A87 S92 H93 Y94N74-A90 HydrophobicContact CB-CB 4.35Å; N74-A90 WeakPolarHBondContact O-CB 3.36Å; F84-A90 HydrophobicContact CB-CB 3.84Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.27Å; F84-A90 HydrophobicContact CE2-CB 4.04Å; F84-A90 HydrophobicContact CG-CB 3.65Å; S86-A90 PolarHBondContact O-N 3.24Å; S86-A90 VanDerWaalsContact O-N 3.09Å; A87-A90 WeakPolarHBondContact O-CB 3.1Å; A87-A90 PolarHBondContact O-N 3.42Å; A87-A90 VanDerWaalsContact O-N 3.11Å; A90-S92 PolarHBondContact O-N 3.25Å; A90-H93 WeakPolarHBondContact O-CA 3.43Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.2Å; A90-H93 PolarHBondContact O-N 2.92Å; A90-Y94 HydrophobicContact CB-CE2 4.13Å; A90-Y94 WeakPolarHBondContact O-CD2 3.47Å; A90-Y94 PolarHBondContact O-N 3.32Å
91D86.1Confident83.7Confident74 Ų7474.9 Ų74.940%0.39641%0.414SS..Hα-helixtrans-62-45.6176.9-71.7-19.1000111.2N74 A87 H93 Y94 Q95N74-D91 PolarHBondContact ND2-OD1 3.45Å; A87-D91 PolarHBondContact O-N 3.23Å; D91-H93 PolarHBondContact O-N 3.49Å; D91-Y94 PolarHBondContact O-N 2.81Å; D91-Y94 VanDerWaalsContact O-N 3.17Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.17Å
92S86.5Confident83.9Confident78 Ų7876.1 Ų76.155%0.54541%0.412SS..Hα-helixtrans-58.1-36173.3177.10000112.1V88 A90 G96V88-S92 WeakPolarHBondContact O-CB 3.38Å; V88-S92 PolarHBondContact O-N 2.8Å; A90-S92 PolarHBondContact O-N 3.25Å; S92-G96 PolarHBondContact O-N 3.08Å; S92-G96 VanDerWaalsContact O-N 3.12Å
93H87.1Confident84.2Confident21 Ų2175.8 Ų75.810%0.09741%0.412CS..Hα-helixtrans-67.3-47.6174.9172.588.2000112.4C77 C80 M82 F84 V89 A90 D91 Q95 G96 H99C77-H93 VanDerWaalsContact CB-NE2 3.28Å; C77-H93 WeakPolarHBondContact CB-NE2 3.33Å; C77-H93 PolarHBondContact SG-NE2 2.86Å; C77-H93 VanDerWaalsContact SG-NE2 3.36Å; C80-H93 WeakPolarHBondContact CB-CE1 3.37Å; C80-H93 WeakPolarHBondContact CB-NE2 3.23Å; C80-H93 PolarHBondContact SG-CE1 2.83Å; C80-H93 PolarHBondContact SG-NE2 2.9Å; C80-H93 VanDerWaalsContact SG-NE2 3.35Å; M82-H93 PolarHBondContact SD-CE1 3.15Å; M82-H93 PolarHBondContact SD-ND1 3.13Å; M82-H93 VanDerWaalsContact SD-ND1 3.45Å; F84-H93 HydrophobicContact CD1-CB 4.2Å; F84-H93 HydrophobicContact CE1-CB 3.36Å; F84-H93 AromaticContact CE1-CG 3.41Å; F84-H93 VanDerWaalsContact CE1-CG 3.41Å; F84-H93 AromaticContact CE1-ND1 3.69Å; F84-H93 HydrophobicContact CE2-CB 4.11Å; F84-H93 AromaticContact CE2-CD2 3.87Å; F84-H93 AromaticContact CE2-CG 4Å; F84-H93 HydrophobicContact CZ-CB 3.35Å; F84-H93 AromaticContact CZ-CD2 3.22Å; F84-H93 WeakPolarHBondContact CZ-CD2 3.2Å; F84-H93 AromaticContact CZ-CE1 3.94Å; F84-H93 AromaticContact CZ-CG 3.05Å; F84-H93 AromaticContact CZ-ND1 3.54Å; F84-H93 AromaticContact CZ-NE2 3.78Å; V89-H93 WeakPolarHBondContact O-CB 3.36Å; V89-H93 PolarHBondContact O-N 2.98Å; A90-H93 WeakPolarHBondContact O-CA 3.43Å; A90-H93 VanDerWaalsContact O-CB 3.29Å; A90-H93 WeakPolarHBondContact O-CB 3.2Å; A90-H93 PolarHBondContact O-N 2.92Å; D91-H93 PolarHBondContact O-N 3.49Å; H93-Q95 VanDerWaalsContact C-N 3.27Å; H93-Q95 PolarHBondContact O-N 2.99Å; H93-G96 WeakPolarHBondContact O-CA 3.4Å; H93-G96 PolarHBondContact O-N 3.46Å; H93-H99 AromaticContact CD2-ND1 3.83Å; H93-H99 AromaticContact NE2-CG 3.91Å; H93-H99 AromaticContact NE2-ND1 3.36Å; H93-H99 PolarHBondContact NE2-ND1 3.36Å; H93-H99 WeakPolarHBondContact O-CB 3.44Å
94Y87.4Confident84.4Confident51 Ų5180.9 Ų80.920%0.243%0.428CS..Hα-helixtrans-63-34.6-179.8-68-55.3000112.6K73 C76 C77 A90 D91 G96 H99K73-Y94 HydrophobicContact CG-CE2 4.24Å; K73-Y94 WeakPolarHBondContact O-CE2 3.39Å; K73-Y94 PolarHBondContact O-OH 2.55Å; C76-Y94 PolarHBondContact O-OH 2.84Å; C77-Y94 HydrophobicContact CB-CE1 3.76Å; A90-Y94 HydrophobicContact CB-CE2 4.13Å; A90-Y94 WeakPolarHBondContact O-CD2 3.47Å; A90-Y94 PolarHBondContact O-N 3.32Å; D91-Y94 PolarHBondContact O-N 2.81Å; D91-Y94 VanDerWaalsContact O-N 3.17Å; Y94-G96 PolarHBondContact O-N 3.27Å; Y94-H99 AromaticContact CD1-CE1 3.55Å; Y94-H99 AromaticContact CD1-ND1 3.94Å; Y94-H99 AromaticContact CD1-NE2 3.58Å; Y94-H99 AromaticContact CE1-CE1 3.87Å; Y94-H99 PolarHBondContact O-CD2 3Å
95Q84.4Confident84.1Confident170 Ų17086.2 Ų86.279%0.79446%0.456SS*.THydrogen-bonded Turntrans-78.4-6.2171.9-64.6176.6-11.800113.2D91 H93D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.17Å; H93-Q95 VanDerWaalsContact C-N 3.27Å; H93-Q95 PolarHBondContact O-N 2.99Å
96G87.4Confident83.8Confident23 Ų2385.5 Ų85.524%0.23745%0.447CS..SBendtrans-73.8145.1-175.400000113.4S92 H93 Y94 I98 H99 A100S92-G96 PolarHBondContact O-N 3.08Å; S92-G96 VanDerWaalsContact O-N 3.12Å; H93-G96 WeakPolarHBondContact O-CA 3.4Å; H93-G96 PolarHBondContact O-N 3.46Å; Y94-G96 PolarHBondContact O-N 3.27Å; G96-I98 PolarHBondContact O-N 2.64Å; G96-I98 VanDerWaalsContact O-N 3.13Å; G96-H99 PolarHBondContact O-N 3.08Å; G96-H99 VanDerWaalsContact O-N 3.08Å; G96-A100 PolarHBondContact O-N 3.33Å
97K88.1Confident83.5Confident192 Ų19289.6 Ų89.684%0.83546%0.464SS*.Hα-helixtrans-56.9-31178.3-61.6-178.1-177.3-179.70113.5K101K97-K101 VanDerWaalsContact O-CB 3.25Å; K97-K101 WeakPolarHBondContact O-CB 3.45Å; K97-K101 PolarHBondContact O-N 3.27Å
98I83Confident82.1Confident112 Ų11289.9 Ų89.957%0.57447%0.472SS*.Hα-helixtrans-68.6-45.6177.6-58.6-59.3000111G96 K101 R102G96-I98 PolarHBondContact O-N 2.64Å; G96-I98 VanDerWaalsContact O-N 3.13Å; I98-K101 PolarHBondContact O-N 3.39Å; I98-R102 PolarHBondContact O-N 2.82Å
99H86Confident80.4Confident11 Ų1191.9 Ų91.95%0.05147%0.474CS..Hα-helixtrans-65.5-47.8176.6-173.680.9000110.6C77 C80 H93 Y94 G96 K101 R102 L103C77-H99 PolarHBondContact SG-CE1 3.02Å; C77-H99 PolarHBondContact SG-ND1 3.44Å; C80-H99 PolarHBondContact SG-ND1 2.83Å; H93-H99 AromaticContact CD2-ND1 3.83Å; H93-H99 AromaticContact NE2-CG 3.91Å; H93-H99 AromaticContact NE2-ND1 3.36Å; H93-H99 PolarHBondContact NE2-ND1 3.36Å; H93-H99 WeakPolarHBondContact O-CB 3.44Å; Y94-H99 AromaticContact CD1-CE1 3.55Å; Y94-H99 AromaticContact CD1-ND1 3.94Å; Y94-H99 AromaticContact CD1-NE2 3.58Å; Y94-H99 AromaticContact CE1-CE1 3.87Å; Y94-H99 PolarHBondContact O-CD2 3Å; G96-H99 PolarHBondContact O-N 3.08Å; G96-H99 VanDerWaalsContact O-N 3.08Å; H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.45Å; H99-R102 PolarHBondContact O-N 3.06Å; H99-R102 VanDerWaalsContact O-N 3.12Å; H99-L103 WeakPolarHBondContact CD2-CD1 3.47Å; H99-L103 WeakPolarHBondContact NE2-CD1 3.12Å; H99-L103 WeakPolarHBondContact O-CB 3.49Å; H99-L103 PolarHBondContact O-N 3.31Å
100A88.3Confident78.3Confident39 Ų3997.8 Ų97.832%0.32249%0.494SS..Hα-helixtrans-57.1-39.9175.700000112.7G96 K104G96-A100 PolarHBondContact O-N 3.33Å; A100-K104 WeakPolarHBondContact O-CB 3.49Å; A100-K104 VanDerWaalsContact O-CG 3.31Å; A100-K104 WeakPolarHBondContact O-CG 3.16Å; A100-K104 PolarHBondContact O-N 3.43Å
101K84.4Confident75.9Confident142 Ų142104 Ų10462%0.61753%0.532SS*.Hα-helixtrans-67.3-42.5176.2-170.5176.7-176.9179.80111.9K97 I98 H99 K104 L105K97-K101 VanDerWaalsContact O-CB 3.25Å; K97-K101 WeakPolarHBondContact O-CB 3.45Å; K97-K101 PolarHBondContact O-N 3.27Å; I98-K101 PolarHBondContact O-N 3.39Å; H99-K101 VanDerWaalsContact C-N 3.28Å; H99-K101 PolarHBondContact O-N 3.45Å; K101-K104 PolarHBondContact O-N 2.97Å; K101-L105 HydrophobicContact CG-CD1 4.31Å; K101-L105 VanDerWaalsContact O-CG 3.31Å; K101-L105 WeakPolarHBondContact O-CG 3.49Å; K101-L105 PolarHBondContact O-N 3.06Å
102R82.1Confident73.5Confident109 Ų109106.1 Ų106.141%0.41155%0.549SS..Hα-helixtrans-67-39.4176.7-78.5176.1166.7171.3-9.3112.2C80 I98 H99 L105 L106C80-R102 PolarHBondContact O-NH1 2.82Å; C80-R102 WeakPolarHBondContact SG-CD 3.41Å; I98-R102 PolarHBondContact O-N 2.82Å; H99-R102 PolarHBondContact O-N 3.06Å; H99-R102 VanDerWaalsContact O-N 3.12Å; R102-L105 PolarHBondContact O-N 3.05Å; R102-L106 WeakPolarHBondContact O-CB 3.41Å; R102-L106 PolarHBondContact O-N 3.4Å
103L84.3Confident71.1Confident75 Ų75110.2 Ų110.239%0.39357%0.565SS.*Hα-helixtrans-57.9-50.6171.3-85.1174.4000111.6L79 H99 L105 L106 L107L79-L103 HydrophobicContact CD1-CD2 3.26Å; L79-L103 HydrophobicContact CD1-CG 3.89Å; H99-L103 WeakPolarHBondContact CD2-CD1 3.47Å; H99-L103 WeakPolarHBondContact NE2-CD1 3.12Å; H99-L103 WeakPolarHBondContact O-CB 3.49Å; H99-L103 PolarHBondContact O-N 3.31Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 3.12Å; L103-L106 PolarHBondContact O-N 3.49Å; L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 PolarHBondContact O-N 2.83Å
104K83.5Confident68.4Low156 Ų156118.2 Ų118.268%0.67860%0.599SS**Hα-helixtrans-60.6-39.8178.4-76.2-178.9176.3-1700112.9A100 K101A100-K104 WeakPolarHBondContact O-CB 3.49Å; A100-K104 VanDerWaalsContact O-CG 3.31Å; A100-K104 WeakPolarHBondContact O-CG 3.16Å; A100-K104 PolarHBondContact O-N 3.43Å; K101-K104 PolarHBondContact O-N 2.97Å
105L75.5Confident65.8Low131 Ų131122.2 Ų122.269%0.68663%0.629SS**Hα-helixtrans-67.8-35.8176.3-72.3169.7000112.3K101 R102 L103K101-L105 HydrophobicContact CG-CD1 4.31Å; K101-L105 VanDerWaalsContact O-CG 3.31Å; K101-L105 WeakPolarHBondContact O-CG 3.49Å; K101-L105 PolarHBondContact O-N 3.06Å; R102-L105 PolarHBondContact O-N 3.05Å; L103-L105 VanDerWaalsContact C-N 3.32Å; L103-L105 PolarHBondContact O-N 3.12Å
106L74.8Confident63.4Low126 Ų126120.7 Ų120.766%0.6663%0.631SS**Hα-helixtrans-75.8-37.7179-169.669.2000112.6L79 R102 L103 G108L79-L106 HydrophobicContact CD2-CD2 3.27Å; R102-L106 WeakPolarHBondContact O-CB 3.41Å; R102-L106 PolarHBondContact O-N 3.4Å; L103-L106 PolarHBondContact O-N 3.49Å; L106-G108 PolarHBondContact O-N 3.22Å; L106-G108 VanDerWaalsContact O-N 3.1Å
107L74.3Confident60.7Low137 Ų137123.3 Ų123.372%0.71765%0.651SS**THydrogen-bonded Turntrans-70.6-2.5-178.7-16159.7000113.2L103 E109L103-L107 WeakPolarHBondContact O-CB 3.43Å; L103-L107 PolarHBondContact O-N 2.83Å; L107-E109 PolarHBondContact O-N 3.21Å
108G51.7Low58.1Low56 Ų56119.6 Ų119.658%0.57764%0.644SS**THydrogen-bonded Turntrans74.418.7163.700000115.7L106 K110L106-G108 PolarHBondContact O-N 3.22Å; L106-G108 VanDerWaalsContact O-N 3.1Å; G108-K110 PolarHBondContact O-N 3.26Å; G108-K110 VanDerWaalsContact O-N 3.11Å
109E49.2Very low55.9Low156 Ų156120 Ų12073%0.72965%0.654SS**  trans-77.2100.8171.5-86.2175.9108.500110.8L107 T111L107-E109 PolarHBondContact O-N 3.21Å; E109-T111 PolarHBondContact O-N 3.44Å
110K36.6Very low53.2Low195 Ų195126.7 Ų126.785%0.84869%0.689SS**  trans-59.2112.6158.7-62.4171.6-176.6171.70107.2G108 P112G108-K110 PolarHBondContact O-N 3.26Å; G108-K110 VanDerWaalsContact O-N 3.11Å; K110-P112 VanDerWaalsContact O-CD 3.3Å; K110-P112 WeakPolarHBondContact O-CD 3.22Å
111T33.8Very low50.7Low131 Ų131130.4 Ų130.480%0.80471%0.713SS**  trans-49.3131.6172.542.20000111.9E109E109-T111 PolarHBondContact O-N 3.44Å
112P34.5Very low48.8Very low117 Ų117129.1 Ų129.176%0.7672%0.719SS**  trans-103.5118.3145.210.410.6000108.5K110 K114K110-P112 VanDerWaalsContact O-CD 3.3Å; K110-P112 WeakPolarHBondContact O-CD 3.22Å; P112-K114 PolarHBondContact O-N 3.07Å
113L36.2Very low46.2Very low165 Ų165132.1 Ų132.186%0.86474%0.743SS**  trans-54.5114.8164.2-64.6156.2000110.2
114K32.1Very low43.6Very low189 Ų189138.1 Ų138.182%0.82277%0.766SS**  trans-156111.3151.2-63.7-162.2-178.6-163.10106.8P112P112-K114 PolarHBondContact O-N 3.07Å
115T31.3Very low41.3Very low135 Ų135136 Ų13683%0.82877%0.768SS**  58.789.876.8-47.90000113.8
116T35Very low39.9Very low137 Ų137135.4 Ų135.484%0.8477%0.771SS**  trans-152.891.9148.428.40000105.1
117A30.2Very low38.3Very low78 Ų78140.6 Ų140.665%0.64578%0.782SS**  63.996.282.800000113.9
118T32.7Very low36.5Very low115 Ų115141.6 Ų141.671%0.70679%0.785SS**  trans66.9156138.439.40000120.6L120T118-L120 HydrophobicContact CG2-CD1 4.19Å; T118-L120 HydrophobicContact CG2-CG 4.36Å
119P38.5Very low36.1Very low119 Ų119146.1 Ų146.177%0.77380%0.796SS**  cis-121.8134.711.433.4-15000113.9
120L29.3Very low35.5Very low152 Ų152145 Ų14580%0.79680%0.8SS**  43.3107.388.7-73.8176.1000115.5T118T118-L120 HydrophobicContact CG2-CD1 4.19Å; T118-L120 HydrophobicContact CG2-CG 4.36Å
121S34.1Very low35.5Very low118 Ų118139 Ų13983%0.82579%0.788SS**  trans-170151.5144-92.30000112.2
122P44.3Very low35.9Very low115 Ų115138.2 Ų138.275%0.74779%0.785SS**  -112.8156.9-110.8-1.523.1000117.4
123L28.4Very low36.5Very low172 Ų172138.6 Ų138.690%0.90178%0.784SS**  trans-1.6122.2143.9-73.6144.2000116.7
124K30Very low36.8Very low201 Ų201136.6 Ų136.687%0.87478%0.779SS**  trans-121.1134.7147.5-145.4175.4-171.4-179.40109.8
125P35.1Very low37.3Very low112 Ų112131.1 Ų131.173%0.72777%0.769SS**  trans-82.1178.5-168.8-8.629.3000113.6
126P45.1Very low38.1Very low117 Ų117127.2 Ų127.276%0.7675%0.747SS**  trans-84.1150.7-158.735.4-34000112.4
127R42Very low39.1Very low235 Ų235125.7 Ų125.789%0.88774%0.739SS**  trans-119.8116.7157.9-134.9-178.3-164.1-179.32.7108.6
128M36.5Very low40.4Very low158 Ų158124.5 Ų124.578%0.77872%0.718SS**  trans-67.7127.5165.4-56.8-171.7-177.800107.7
129D43.9Very low41.5Very low151 Ų151124.8 Ų124.881%0.80771%0.712SS**  trans-135.787.8145.8-89.9-59000106A131D129-A131 PolarHBondContact O-N 2.96Å
130T36.2Very low42.3Very low132 Ų132127.4 Ų127.481%0.8171%0.706SS**  trans-65.383.8164.3-54.90000107.4
131A36.2Very low43.5Very low71 Ų71127.6 Ų127.659%0.58770%0.696SS**  trans-84.6130.4150.900000106.4D129 V133D129-A131 PolarHBondContact O-N 2.96Å; A131-V133 VanDerWaalsContact C-N 3.32Å; A131-V133 PolarHBondContact O-N 3.35Å
132P42.6Very low44.6Very low114 Ų114127.1 Ų127.174%0.7469%0.685SS**  trans-63103.4174.527.1-29.7000105.9V134P132-V134 PolarHBondContact O-N 2.95Å
133V47Very low45.5Very low124 Ų124125 Ų12575%0.75267%0.672SS**  trans-63.598166.2-169.60000102.7A131 A135A131-V133 VanDerWaalsContact C-N 3.32Å; A131-V133 PolarHBondContact O-N 3.35Å; V133-A135 PolarHBondContact O-N 3.17Å
134V41.7Very low47.6Very low124 Ų124120.5 Ų120.575%0.75265%0.649SS**  trans-48.7102.4168.5175.50000103.7P132 S136P132-V134 PolarHBondContact O-N 2.95Å; V134-S136 VanDerWaalsContact C-N 3.28Å; V134-S136 PolarHBondContact O-N 3.41Å
135A42.9Very low50.1Low74 Ų74117 Ų11761%0.61263%0.631SS**  trans-58.3103.7-177.500000104.4V133V133-A135 PolarHBondContact O-N 3.17Å
136S48.5Very low52.5Low53 Ų53115.6 Ų115.637%0.37161%0.611SS.*  trans-58.6134.7-179.3-169.40000105.7V134 Y138 Q139V134-S136 VanDerWaalsContact C-N 3.28Å; V134-S136 PolarHBondContact O-N 3.41Å; S136-Y138 PolarHBondContact O-N 3Å; S136-Y138 WeakPolarHBondContact OG-CD2 3.46Å; S136-Q139 PolarHBondContact O-N 2.99Å
137P57Low54.6Low104 Ų104110 Ų11068%0.67558%0.575SS**G310 helixtrans-50.9-19.6-179-27.633.1000113.7Q139 R140P137-Q139 VanDerWaalsContact C-N 3.33Å; P137-Q139 PolarHBondContact O-N 2.93Å; P137-R140 WeakPolarHBondContact O-CG 3.4Å
138Y56.8Low56.8Low53 Ų53100.7 Ų100.721%0.20855%0.552CS.*G310 helixtrans-78.4-6.5177.1-51.5-71.4000115S136 R140 L149 V176 A177 E180S136-Y138 PolarHBondContact O-N 3Å; S136-Y138 WeakPolarHBondContact OG-CD2 3.46Å; Y138-R140 PolarHBondContact O-N 2.92Å; Y138-L149 WeakPolarHBondContact O-CD1 3.36Å; Y138-V176 HydrophobicContact CE1-CG1 4.24Å; Y138-A177 HydrophobicContact CE1-CB 4.12Å; Y138-A177 HydrophobicContact CE2-CB 4Å; Y138-A177 WeakPolarHBondContact OH-CA 3.42Å; Y138-A177 WeakPolarHBondContact OH-CB 3.44Å; Y138-E180 PolarHBondContact OH-OE2 3.27Å
139Q55.9Low59.2Low121 Ų12195.5 Ų95.557%0.56553%0.527SS*.G310 helixtrans-88.633.1167.8-67.1-174.3-51.100111.7S136 P137 R141S136-Q139 PolarHBondContact O-N 2.99Å; P137-Q139 VanDerWaalsContact C-N 3.33Å; P137-Q139 PolarHBondContact O-N 2.93Å; Q139-R141 WeakPolarHBondContact O-CB 3.45Å; Q139-R141 PolarHBondContact O-N 3.19Å
140R54.1Low61.3Low175 Ų17590.2 Ų90.266%0.6650%0.502SS*.  trans-55.882171.7-89.3-89.9-159-144.4-1.2109.8P137 Y138 D142P137-R140 WeakPolarHBondContact O-CG 3.4Å; Y138-R140 PolarHBondContact O-N 2.92Å; R140-D142 PolarHBondContact O-N 3.16Å
141R54.4Low63.7Low156 Ų15687.4 Ų87.459%0.58949%0.492SS*.  trans-79.361175.6-165.6-172.2-162.2-87-4.7105.7Q139 S143 D144Q139-R141 WeakPolarHBondContact O-CB 3.45Å; Q139-R141 PolarHBondContact O-N 3.19Å; R141-S143 PolarHBondContact O-N 3.39Å; R141-D144 IonicContact CZ-OD1 3.01Å; R141-D144 IonicContact NH1-OD1 2.77Å; R141-D144 PolarHBondContact NH1-OD1 3.17Å; R141-D144 IonicContact NH1-OD2 3.18Å; R141-D144 PolarHBondContact NH1-OD2 3.01Å; R141-D144 IonicContact NH2-OD1 2.64Å; R141-D144 PolarHBondContact NH2-OD1 3.18Å
142D58.5Low66.1Low108 Ų10885.1 Ų85.158%0.57847%0.473SS*.  trans-67.3-22.2-168.7-143.7-107.5000110.8R140R140-D142 PolarHBondContact O-N 3.16Å
143S62.7Low68.3Low70 Ų7087.9 Ų87.949%0.4947%0.469SS..BIsolated β-bridgetrans-159.9150.6161.9-74.20000110.5R141 R145 Y146R141-S143 PolarHBondContact O-N 3.39Å; S143-R145 PolarHBondContact O-N 2.92Å; S143-Y146 PolarHBondContact O-N 3.25Å
144D72Confident70.3Confident77 Ų7783.4 Ų83.441%0.41244%0.44SS..THydrogen-bonded Turntrans-51.4-9177.3-87.5-64.5000115.8R141 A160R141-D144 IonicContact CZ-OD1 3.01Å; R141-D144 IonicContact NH1-OD1 2.77Å; R141-D144 PolarHBondContact NH1-OD1 3.17Å; R141-D144 IonicContact NH1-OD2 3.18Å; R141-D144 PolarHBondContact NH1-OD2 3.01Å; R141-D144 IonicContact NH2-OD1 2.64Å; R141-D144 PolarHBondContact NH2-OD1 3.18Å; D144-A160 WeakPolarHBondContact O-CB 3.2Å
145R82.6Confident72.4Confident129 Ų12984.7 Ų84.749%0.48744%0.442SS..THydrogen-bonded Turntrans-128-0.4-177.4-67.7-171.5-68.7-172.1-1.6115S143 W153 F154S143-R145 PolarHBondContact O-N 2.92Å; R145-W153 WeakPolarHBondContact O-CA 3.29Å; R145-F154 WeakPolarHBondContact CB-O 3.45Å; R145-F154 PolarHBondContact O-N 3.06Å
146Y86Confident74.4Confident81 Ų8185.2 Ų85.232%0.31843%0.434SS..EExtended strand (participates in β ladder)trans-135.5125.4-178178.1-109.6000111.8S143 A152 W153 Y164S143-Y146 PolarHBondContact O-N 3.25Å; Y146-A152 WeakPolarHBondContact CA-O 3.47Å; Y146-W153 AromaticContact CD2-CE3 3.93Å; Y146-W153 HydrophobicContact CD2-CE3 3.93Å; Y146-W153 HydrophobicContact CG-CE3 4.25Å; Y146-Y164 PolarHBondContact O-OH 3.3Å
147C89.5Confident76.2Confident1 Ų185.8 Ų85.81%0.00744%0.437CS..EExtended strand (participates in β ladder)trans-101.1107.2172.8175.40000109.6L149 C150 A151 A152 F154 H163 Y164 H169C147-L149 VanDerWaalsContact C-N 3.31Å; C147-L149 PolarHBondContact O-N 3.08Å; C147-C150 HydrophobicContact CB-CB 4.45Å; C147-C150 PolarHBondContact O-N 3.01Å; C147-C150 PolarHBondContact SG-N 3.39Å; C147-A151 VanDerWaalsContact O-CA 3.27Å; C147-A151 WeakPolarHBondContact O-CA 2.98Å; C147-A151 PolarHBondContact O-N 3.03Å; C147-A152 HydrophobicContact CB-CB 4.43Å; C147-A152 PolarHBondContact N-O 3.46Å; C147-A152 PolarHBondContact O-N 3.02Å; C147-A152 VanDerWaalsContact O-N 3.13Å; C147-F154 HydrophobicContact CB-CE2 4.03Å; C147-H163 PolarHBondContact SG-NE2 3.18Å; C147-Y164 HydrophobicContact CB-CE1 3.84Å; C147-H169 PolarHBondContact SG-CE1 2.91Å; C147-H169 PolarHBondContact SG-ND1 2.87Å
148G87.1Confident77.6Confident39 Ų3985.6 Ų85.640%0.40243%0.43SS..THydrogen-bonded Turntrans-63.6-33.8178.600000113.5C150G148-C150 PolarHBondContact O-N 2.84Å
149L87.1Confident79.1Confident48 Ų4888.2 Ų88.225%0.25145%0.445SS..THydrogen-bonded Turntrans-66.1-37.7178.5-66.6-174.7000113Y138 C147 N172 A173Y138-L149 WeakPolarHBondContact O-CD1 3.36Å; C147-L149 VanDerWaalsContact C-N 3.31Å; C147-L149 PolarHBondContact O-N 3.08Å; L149-N172 PolarHBondContact O-ND2 3.48Å; L149-A173 HydrophobicContact CD1-CB 4.24Å
150C87.9Confident80.6Confident40 Ų4082.6 Ų82.627%0.2742%0.419SS..THydrogen-bonded Turntrans-101.9-0.5-178.4-66.20000113.3C147 G148 A152 H163 N172C147-C150 HydrophobicContact CB-CB 4.45Å; C147-C150 PolarHBondContact O-N 3.01Å; C147-C150 PolarHBondContact SG-N 3.39Å; G148-C150 PolarHBondContact O-N 2.84Å; C150-A152 HydrophobicContact CB-CB 4.03Å; C150-A152 PolarHBondContact O-N 3.05Å; C150-A152 VanDerWaalsContact O-N 3.15Å; C150-H163 VanDerWaalsContact SG-CE1 3.52Å; C150-N172 PolarHBondContact SG-ND2 2.69Å
151A87.4Confident82.2Confident74 Ų7479.8 Ų79.861%0.61241%0.414SS*.THydrogen-bonded Turntrans45.539.2-168.700000112.6C147C147-A151 VanDerWaalsContact O-CA 3.27Å; C147-A151 WeakPolarHBondContact O-CA 2.98Å; C147-A151 PolarHBondContact O-N 3.03Å
152A85.6Confident84Confident23 Ų2377.9 Ų77.919%0.1941%0.412CS..EExtended strand (participates in β ladder)trans-105.4126-172.400000110.5Y146 C147 C150 F154Y146-A152 WeakPolarHBondContact CA-O 3.47Å; C147-A152 HydrophobicContact CB-CB 4.43Å; C147-A152 PolarHBondContact N-O 3.46Å; C147-A152 PolarHBondContact O-N 3.02Å; C147-A152 VanDerWaalsContact O-N 3.13Å; C150-A152 HydrophobicContact CB-CB 4.03Å; C150-A152 PolarHBondContact O-N 3.05Å; C150-A152 VanDerWaalsContact O-N 3.15Å; A152-F154 HydrophobicContact CB-CE1 4.21Å; A152-F154 HydrophobicContact CB-CE2 3.87Å; A152-F154 HydrophobicContact CB-CZ 3.42Å; A152-F154 VanDerWaalsContact CB-CZ 3.42Å; A152-F154 WeakPolarHBondContact O-CE2 3.26Å
153W89.8Confident85.6Confident171 Ų17174.3 Ų74.365%0.64839%0.391SS*.EExtended strand (participates in β ladder)trans-102.3134.3176.2-173.3-85.8000110.7R145 Y146R145-W153 WeakPolarHBondContact O-CA 3.29Å; Y146-W153 AromaticContact CD2-CE3 3.93Å; Y146-W153 HydrophobicContact CD2-CE3 3.93Å; Y146-W153 HydrophobicContact CG-CE3 4.25Å
154F89.1Confident86.9Confident31 Ų3173.3 Ų73.314%0.13638%0.377CS..  trans-119.3141-176.2-54.6-74.7000111.6R145 C147 A152 N156 M159 A160 H163R145-F154 WeakPolarHBondContact CB-O 3.45Å; R145-F154 PolarHBondContact O-N 3.06Å; C147-F154 HydrophobicContact CB-CE2 4.03Å; A152-F154 HydrophobicContact CB-CE1 4.21Å; A152-F154 HydrophobicContact CB-CE2 3.87Å; A152-F154 HydrophobicContact CB-CZ 3.42Å; A152-F154 VanDerWaalsContact CB-CZ 3.42Å; A152-F154 WeakPolarHBondContact O-CE2 3.26Å; F154-N156 VanDerWaalsContact C-N 3.32Å; F154-N156 PolarHBondContact O-N 3.14Å; F154-M159 HydrophobicContact CB-CB 4.33Å; F154-M159 HydrophobicContact CD1-CB 4.3Å; F154-A160 HydrophobicContact CB-CB 3.92Å; F154-A160 HydrophobicContact CD2-CB 3.51Å; F154-A160 HydrophobicContact CE2-CB 4.3Å; F154-A160 HydrophobicContact CG-CB 3.81Å; F154-H163 HydrophobicContact CD1-CB 4.46Å; F154-H163 HydrophobicContact CE1-CB 3.57Å; F154-H163 AromaticContact CE1-CG 3.84Å; F154-H163 HydrophobicContact CE2-CB 3.94Å; F154-H163 AromaticContact CE2-CD2 3.81Å; F154-H163 AromaticContact CE2-CG 3.81Å; F154-H163 HydrophobicContact CZ-CB 3.28Å; F154-H163 AromaticContact CZ-CD2 3.54Å; F154-H163 AromaticContact CZ-CE1 3.97Å; F154-H163 AromaticContact CZ-CG 3.12Å; F154-H163 AromaticContact CZ-ND1 3.45Å; F154-H163 WeakPolarHBondContact CZ-ND1 3.3Å
155N86.3Confident87.8Confident150 Ų15075.8 Ų75.880%0.80239%0.391SS*.SBendtrans-73.2-24.6-178.9-65-17.4000113.1
156N84Confident88.2Confident85 Ų8570.6 Ų70.646%0.45538%0.377SS..SBendtrans-147.7144.2-176.7-179.8-44.1000109.8F154 L158 M159 A160F154-N156 VanDerWaalsContact C-N 3.32Å; F154-N156 PolarHBondContact O-N 3.14Å; N156-L158 PolarHBondContact O-N 3.1Å; N156-L158 PolarHBondContact OD1-N 3.47Å; N156-M159 PolarHBondContact O-N 3.14Å; N156-A160 PolarHBondContact O-N 2.99Å
157P86.4Confident88.6Confident65 Ų6576 Ų7642%0.42240%0.402SS..Hα-helixtrans-50.8-34.1175.919.6-34.7000114.9M159 A160 Q161P157-M159 VanDerWaalsContact C-N 3.32Å; P157-M159 PolarHBondContact O-N 3.24Å; P157-A160 WeakPolarHBondContact O-CB 2.99Å; P157-A160 PolarHBondContact O-N 2.72Å; P157-Q161 WeakPolarHBondContact O-CB 3.39Å; P157-Q161 PolarHBondContact O-N 2.87Å
158L87.4Confident88.6Confident101 Ų10184.6 Ų84.653%0.52944%0.44SS..Hα-helixtrans-61.4-41.2177.5179.163000112.1N156 A160 Q161 Q162N156-L158 PolarHBondContact O-N 3.1Å; N156-L158 PolarHBondContact OD1-N 3.47Å; L158-A160 VanDerWaalsContact C-N 3.35Å; L158-Q161 PolarHBondContact O-N 3.44Å; L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.33Å
159M86.6Confident88.9Confident108 Ų10883.4 Ų83.453%0.53242%0.424SS..Hα-helixtrans-69.2-36.3176.8-72.8-75168.700111.3F154 N156 P157 H163F154-M159 HydrophobicContact CB-CB 4.33Å; F154-M159 HydrophobicContact CD1-CB 4.3Å; N156-M159 PolarHBondContact O-N 3.14Å; P157-M159 VanDerWaalsContact C-N 3.32Å; P157-M159 PolarHBondContact O-N 3.24Å; M159-H163 PolarHBondContact O-N 2.93Å
160A87.5Confident89.2Confident2 Ų288.9 Ų88.92%0.01745%0.445CS..Hα-helixtrans-64.3-43.2173.800000111.2D144 F154 N156 P157 L158 H163 Y164D144-A160 WeakPolarHBondContact O-CB 3.2Å; F154-A160 HydrophobicContact CB-CB 3.92Å; F154-A160 HydrophobicContact CD2-CB 3.51Å; F154-A160 HydrophobicContact CE2-CB 4.3Å; F154-A160 HydrophobicContact CG-CB 3.81Å; N156-A160 PolarHBondContact O-N 2.99Å; P157-A160 WeakPolarHBondContact O-CB 2.99Å; P157-A160 PolarHBondContact O-N 2.72Å; L158-A160 VanDerWaalsContact C-N 3.35Å; A160-H163 WeakPolarHBondContact O-CA 3.43Å; A160-H163 VanDerWaalsContact O-CB 3.28Å; A160-H163 WeakPolarHBondContact O-CB 3.44Å; A160-H163 PolarHBondContact O-N 3.15Å; A160-H163 VanDerWaalsContact O-N 3.08Å; A160-Y164 HydrophobicContact CB-CE2 4.15Å; A160-Y164 WeakPolarHBondContact O-CD2 2.98Å; A160-Y164 PolarHBondContact O-N 2.84Å
161Q88.2Confident89.3Confident117 Ų11794.1 Ų94.155%0.54746%0.463SS..Hα-helixtrans-60-48.9176-173175.1-9.800111.5P157 L158 H163 Y164 D165P157-Q161 WeakPolarHBondContact O-CB 3.39Å; P157-Q161 PolarHBondContact O-N 2.87Å; L158-Q161 PolarHBondContact O-N 3.44Å; Q161-H163 PolarHBondContact O-N 3.12Å; Q161-Y164 PolarHBondContact O-N 3.38Å; Q161-D165 PolarHBondContact O-N 2.85Å
162Q91.5Very high89.6Confident116 Ų11692.7 Ų92.754%0.54245%0.446SS..Hα-helixtrans-58.6-30.8174.3-73.2-175.9-29.400113.1L158 G166L158-Q162 WeakPolarHBondContact O-CG 3.32Å; L158-Q162 PolarHBondContact O-N 3.33Å; Q162-G166 PolarHBondContact O-N 3.07Å; Q162-G166 VanDerWaalsContact O-N 3.16Å
163H92Very high89.9Confident33 Ų3392.3 Ų92.315%0.15344%0.442CS..Hα-helixtrans-68.2-47.2173.4169.385.5000112.1C147 C150 F154 M159 A160 Q161 D165 G166 H169C147-H163 PolarHBondContact SG-NE2 3.18Å; C150-H163 VanDerWaalsContact SG-CE1 3.52Å; F154-H163 HydrophobicContact CD1-CB 4.46Å; F154-H163 HydrophobicContact CE1-CB 3.57Å; F154-H163 AromaticContact CE1-CG 3.84Å; F154-H163 HydrophobicContact CE2-CB 3.94Å; F154-H163 AromaticContact CE2-CD2 3.81Å; F154-H163 AromaticContact CE2-CG 3.81Å; F154-H163 HydrophobicContact CZ-CB 3.28Å; F154-H163 AromaticContact CZ-CD2 3.54Å; F154-H163 AromaticContact CZ-CE1 3.97Å; F154-H163 AromaticContact CZ-CG 3.12Å; F154-H163 AromaticContact CZ-ND1 3.45Å; F154-H163 WeakPolarHBondContact CZ-ND1 3.3Å; M159-H163 PolarHBondContact O-N 2.93Å; A160-H163 WeakPolarHBondContact O-CA 3.43Å; A160-H163 VanDerWaalsContact O-CB 3.28Å; A160-H163 WeakPolarHBondContact O-CB 3.44Å; A160-H163 PolarHBondContact O-N 3.15Å; A160-H163 VanDerWaalsContact O-N 3.08Å; Q161-H163 PolarHBondContact O-N 3.12Å; H163-D165 VanDerWaalsContact C-N 3.31Å; H163-D165 PolarHBondContact O-N 3.19Å; H163-G166 WeakPolarHBondContact O-CA 3.44Å; H163-G166 PolarHBondContact O-N 3.38Å; H163-H169 AromaticContact CD2-ND1 3.83Å; H163-H169 AromaticContact NE2-CG 3.84Å; H163-H169 AromaticContact NE2-ND1 3.24Å; H163-H169 PolarHBondContact NE2-ND1 3.1Å; H163-H169 WeakPolarHBondContact O-CB 3.25Å
164Y91.2Very high90Very high48 Ų4886.7 Ų86.719%0.18843%0.432CS..Hα-helixtrans-62.5-38.3179.9-66.5-59.9000112.1Y146 C147 A160 Q161 G166 H169Y146-Y164 PolarHBondContact O-OH 3.3Å; C147-Y164 HydrophobicContact CB-CE1 3.84Å; A160-Y164 HydrophobicContact CB-CE2 4.15Å; A160-Y164 WeakPolarHBondContact O-CD2 2.98Å; A160-Y164 PolarHBondContact O-N 2.84Å; Q161-Y164 PolarHBondContact O-N 3.38Å; Y164-G166 PolarHBondContact O-N 3.27Å; Y164-H169 AromaticContact CD1-CE1 3.8Å; Y164-H169 AromaticContact CD1-NE2 3.85Å; Y164-H169 PolarHBondContact O-CD2 3.39Å
165D90.2Very high90.1Very high130 Ų13089.2 Ų89.270%0.69544%0.441SS*.THydrogen-bonded Turntrans-74.9-7.9172.8-62.3-33.8000113Q161 H163Q161-D165 PolarHBondContact O-N 2.85Å; H163-D165 VanDerWaalsContact C-N 3.31Å; H163-D165 PolarHBondContact O-N 3.19Å
166G91.5Very high90.2Very high20 Ų2084.4 Ų84.421%0.20642%0.417CS..SBendtrans-74.7140.9-172.400000113.9Q162 H163 Y164 K168 H169 K170Q162-G166 PolarHBondContact O-N 3.07Å; Q162-G166 VanDerWaalsContact O-N 3.16Å; H163-G166 WeakPolarHBondContact O-CA 3.44Å; H163-G166 PolarHBondContact O-N 3.38Å; Y164-G166 PolarHBondContact O-N 3.27Å; G166-K168 PolarHBondContact O-N 2.61Å; G166-K168 VanDerWaalsContact O-N 3.12Å; G166-H169 PolarHBondContact O-N 3.4Å; G166-K170 PolarHBondContact O-N 2.82Å
167K93.5Very high90.4Very high193 Ų19381.2 Ų81.284%0.83940%0.403SS*.Hα-helixtrans-53-35.5174.1-65.1-176.7-178.8-179.50113.1K171K167-K171 WeakPolarHBondContact O-CB 3.14Å; K167-K171 PolarHBondContact O-N 3.25Å
168K90.7Very high90.5Very high183 Ų18379.4 Ų79.480%0.79639%0.389SS*.Hα-helixtrans-64.5-46.6178-72.3-175.6176.7-1790111.7G166 K171 N172G166-K168 PolarHBondContact O-N 2.61Å; G166-K168 VanDerWaalsContact O-N 3.12Å; K168-K171 PolarHBondContact O-N 2.79Å; K168-N172 WeakPolarHBondContact O-CB 3.36Å; K168-N172 PolarHBondContact O-N 3.26Å
169H93.2Very high90.4Very high14 Ų1475.5 Ų75.57%0.06537%0.368CS..Hα-helixtrans-63.3-48.5177.5-179.178.5000110.5C147 H163 Y164 G166 K171 N172 A173C147-H169 PolarHBondContact SG-CE1 2.91Å; C147-H169 PolarHBondContact SG-ND1 2.87Å; H163-H169 AromaticContact CD2-ND1 3.83Å; H163-H169 AromaticContact NE2-CG 3.84Å; H163-H169 AromaticContact NE2-ND1 3.24Å; H163-H169 PolarHBondContact NE2-ND1 3.1Å; H163-H169 WeakPolarHBondContact O-CB 3.25Å; Y164-H169 AromaticContact CD1-CE1 3.8Å; Y164-H169 AromaticContact CD1-NE2 3.85Å; Y164-H169 PolarHBondContact O-CD2 3.39Å; G166-H169 PolarHBondContact O-N 3.4Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 3.09Å; H169-N172 PolarHBondContact O-N 2.93Å; H169-N172 VanDerWaalsContact O-N 3.08Å; H169-A173 WeakPolarHBondContact O-CB 3.4Å; H169-A173 PolarHBondContact O-N 2.8Å
170K92.6Very high90.4Very high163 Ų16375.7 Ų75.771%0.70937%0.368SS*.Hα-helixtrans-56.1-43.9176.9-171173.5-175.7173.60112.7G166 A174G166-K170 PolarHBondContact O-N 2.82Å; K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.34Å
171K91.6Very high90.3Very high150 Ų15080.5 Ų80.565%0.65239%0.39SS*.Hα-helixtrans-64.9-41.6176.7-172.7176.3-179.9178.10111.9K167 K168 H169 A174 R175K167-K171 WeakPolarHBondContact O-CB 3.14Å; K167-K171 PolarHBondContact O-N 3.25Å; K168-K171 PolarHBondContact O-N 2.79Å; H169-K171 VanDerWaalsContact C-N 3.32Å; H169-K171 PolarHBondContact O-N 3.09Å; K171-A174 PolarHBondContact O-N 3.28Å; K171-R175 WeakPolarHBondContact O-CB 3.39Å; K171-R175 PolarHBondContact O-N 3.44Å
172N92.3Very high90Very high44 Ų4475.3 Ų75.324%0.23537%0.366CS..Hα-helixtrans-68.2-40.9178.1-170.254.6000112.2L149 C150 K168 H169 R175 V176L149-N172 PolarHBondContact O-ND2 3.48Å; C150-N172 PolarHBondContact SG-ND2 2.69Å; K168-N172 WeakPolarHBondContact O-CB 3.36Å; K168-N172 PolarHBondContact O-N 3.26Å; H169-N172 PolarHBondContact O-N 2.93Å; H169-N172 VanDerWaalsContact O-N 3.08Å; N172-R175 WeakPolarHBondContact O-CB 3.44Å; N172-R175 PolarHBondContact O-N 3.48Å; N172-V176 WeakPolarHBondContact O-CG2 3.37Å; N172-V176 PolarHBondContact O-N 2.96Å
173A91.8Very high89.2Confident15 Ų1570.9 Ų70.912%0.12435%0.351CS..Hα-helixtrans-60.1-47.5173.800000111.2L149 H169 R175 V176 A177L149-A173 HydrophobicContact CD1-CB 4.24Å; H169-A173 WeakPolarHBondContact O-CB 3.4Å; H169-A173 PolarHBondContact O-N 2.8Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 3.29Å; A173-V176 PolarHBondContact O-N 3.01Å; A173-A177 WeakPolarHBondContact O-CB 3.36Å; A173-A177 PolarHBondContact O-N 3.08Å
174A91.6Very high88.3Confident53 Ų5374.7 Ų74.744%0.43838%0.377SS..Hα-helixtrans-59.7-42.4174.800000112.1K170 K171 A177 L178K170-A174 WeakPolarHBondContact O-CB 3.28Å; K170-A174 PolarHBondContact O-N 3.34Å; K171-A174 PolarHBondContact O-N 3.28Å; A174-A177 PolarHBondContact O-N 3.28Å; A174-L178 WeakPolarHBondContact O-CG 3.36Å; A174-L178 PolarHBondContact O-N 3.31Å
175R90.9Very high87.2Confident83 Ų8377.3 Ų77.331%0.31340%0.398SS..Hα-helixtrans-58.4-49.7175.2-176.9-171.4166.275.36.3111.2K171 N172 A173 A177 L178 L179 Y198 I210K171-R175 WeakPolarHBondContact O-CB 3.39Å; K171-R175 PolarHBondContact O-N 3.44Å; N172-R175 WeakPolarHBondContact O-CB 3.44Å; N172-R175 PolarHBondContact O-N 3.48Å; A173-R175 VanDerWaalsContact C-N 3.32Å; A173-R175 PolarHBondContact O-N 3.29Å; R175-A177 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 2.57Å; R175-L178 PolarHBondContact O-N 3.43Å; R175-L179 HydrophobicContact CG-CD1 4.01Å; R175-L179 WeakPolarHBondContact O-CD1 3.37Å; R175-L179 PolarHBondContact O-N 3.45Å; R175-L179 VanDerWaalsContact O-N 3.12Å; R175-Y198 PolarHBondContact NH2-OH 3.45Å; R175-I210 HydrophobicContact CG-CG2 3.77Å
176V88.9Confident85.9Confident50 Ų5073.5 Ų73.530%0.30338%0.378SS..Hα-helixtrans-62.2-42.6179.3173.10000111.1Y138 N172 A173 L178 L179 E180Y138-V176 HydrophobicContact CE1-CG1 4.24Å; N172-V176 WeakPolarHBondContact O-CG2 3.37Å; N172-V176 PolarHBondContact O-N 2.96Å; A173-V176 PolarHBondContact O-N 3.01Å; V176-L178 VanDerWaalsContact C-N 3.32Å; V176-L178 PolarHBondContact O-N 3.23Å; V176-L179 WeakPolarHBondContact O-CB 3.22Å; V176-L179 PolarHBondContact O-N 3.34Å; V176-L179 VanDerWaalsContact O-N 3.09Å; V176-E180 PolarHBondContact O-N 2.93Å
177A89.1Confident84.8Confident18 Ų1878.4 Ų78.415%0.14940%0.399CS..Hα-helixtrans-59-42.4176.700000112.4Y138 A173 A174 R175 L179 E180 Q181Y138-A177 HydrophobicContact CE1-CB 4.12Å; Y138-A177 HydrophobicContact CE2-CB 4Å; Y138-A177 WeakPolarHBondContact OH-CA 3.42Å; Y138-A177 WeakPolarHBondContact OH-CB 3.44Å; A173-A177 WeakPolarHBondContact O-CB 3.36Å; A173-A177 PolarHBondContact O-N 3.08Å; A174-A177 PolarHBondContact O-N 3.28Å; R175-A177 VanDerWaalsContact C-N 3.35Å; R175-A177 PolarHBondContact O-N 2.57Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.43Å; A177-E180 PolarHBondContact O-N 3.02Å; A177-Q181 WeakPolarHBondContact O-CG 3.39Å; A177-Q181 PolarHBondContact O-N 3.13Å
178L88.4Confident83.4Confident27 Ų2776.7 Ų76.714%0.14140%0.396CS..Hα-helixtrans-63.8-38.2174.9-68.6178.7000112.4A174 R175 V176 E180 L182 I210 E211 H214A174-L178 WeakPolarHBondContact O-CG 3.36Å; A174-L178 PolarHBondContact O-N 3.31Å; R175-L178 PolarHBondContact O-N 3.43Å; V176-L178 VanDerWaalsContact C-N 3.32Å; V176-L178 PolarHBondContact O-N 3.23Å; L178-E180 VanDerWaalsContact C-N 3.33Å; L178-L182 WeakPolarHBondContact O-CD1 3.29Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.27Å; L178-I210 HydrophobicContact CB-CG1 4.19Å; L178-E211 HydrophobicContact CD1-CB 4.44Å; L178-E211 HydrophobicContact CD1-CG 3.95Å; L178-H214 HydrophobicContact CD2-CB 4.35Å; L178-H214 VanDerWaalsContact CD2-CE1 3.47Å; L178-H214 WeakPolarHBondContact CD2-CE1 3.24Å
179L86.2Confident82Confident18 Ų1870.5 Ų70.59%0.09439%0.385CS..Hα-helixtrans-63.9-40.1175.2-90.882.9000111.6R175 V176 A177 L182 G183 R195 I210R175-L179 HydrophobicContact CG-CD1 4.01Å; R175-L179 WeakPolarHBondContact O-CD1 3.37Å; R175-L179 PolarHBondContact O-N 3.45Å; R175-L179 VanDerWaalsContact O-N 3.12Å; V176-L179 WeakPolarHBondContact O-CB 3.22Å; V176-L179 PolarHBondContact O-N 3.34Å; V176-L179 VanDerWaalsContact O-N 3.09Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.43Å; L179-L182 PolarHBondContact O-N 3.06Å; L179-G183 PolarHBondContact O-N 2.97Å; L179-R195 HydrophobicContact CD2-CG 4.36Å; L179-I210 HydrophobicContact CD1-CB 4.07Å; L179-I210 HydrophobicContact CD1-CD1 4.44Å; L179-I210 HydrophobicContact CD1-CG1 3.67Å; L179-I210 HydrophobicContact CD1-CG2 3.91Å; L179-I210 HydrophobicContact CG-CG1 4.34Å
180E85.4Confident80.8Confident113 Ų11375.2 Ų75.253%0.52841%0.406SS..Hα-helixtrans-66.6-46.1178.5-172.6174.4172.500111.6Y138 V176 A177 L178 L182 G183 T184Y138-E180 PolarHBondContact OH-OE2 3.27Å; V176-E180 PolarHBondContact O-N 2.93Å; A177-E180 PolarHBondContact O-N 3.02Å; L178-E180 VanDerWaalsContact C-N 3.33Å; E180-L182 PolarHBondContact O-N 3.42Å; E180-G183 WeakPolarHBondContact O-CA 3.24Å; E180-G183 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-N 3.12Å
181Q85.3Confident79.5Confident102 Ų10268.9 Ų68.948%0.47738%0.38SS..Hα-helixtrans-57.9-34.1176.3-72.5-175.7-69.100113.1A177 T184A177-Q181 WeakPolarHBondContact O-CG 3.39Å; A177-Q181 PolarHBondContact O-N 3.13Å; Q181-T184 PolarHBondContact O-OG1 2.88Å
182L81.7Confident78.2Confident9 Ų970.5 Ų70.55%0.04738%0.382CS..Hα-helixtrans-80.2-28.4176.6-67.1167.2000112.3L178 L179 E180 T184 T185 L186 L194 I210 Y213 H214 L217L178-L182 WeakPolarHBondContact O-CD1 3.29Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.42Å; L178-L182 PolarHBondContact O-N 3.27Å; L179-L182 PolarHBondContact O-N 3.06Å; E180-L182 PolarHBondContact O-N 3.42Å; L182-T184 VanDerWaalsContact C-N 3.33Å; L182-T185 PolarHBondContact O-N 3.49Å; L182-T185 PolarHBondContact O-OG1 3.49Å; L182-L186 PolarHBondContact O-N 3.16Å; L182-L194 HydrophobicContact CB-CD2 4.35Å; L182-L194 HydrophobicContact CD1-CD2 4.33Å; L182-I210 HydrophobicContact CD1-CD1 3.18Å; L182-I210 HydrophobicContact CD1-CG1 4.04Å; L182-Y213 HydrophobicContact CD1-CD1 3.84Å; L182-Y213 HydrophobicContact CD1-CE1 4.16Å; L182-Y213 HydrophobicContact CD2-CD1 4.5Å; L182-Y213 HydrophobicContact CD2-CE1 4.23Å; L182-H214 HydrophobicContact CD1-CB 4.44Å; L182-L217 HydrophobicContact CD2-CD1 3.36Å
183G74.5Confident76.9Confident22 Ų2270.4 Ų70.423%0.22739%0.391CS..Hα-helixtrans-69.8-27.4173.400000113.9L179 E180 T185 L186 L191L179-G183 PolarHBondContact O-N 2.97Å; E180-G183 WeakPolarHBondContact O-CA 3.24Å; E180-G183 PolarHBondContact O-N 3.08Å; G183-T185 VanDerWaalsContact C-N 3.29Å; G183-T185 PolarHBondContact O-N 3.35Å; G183-L186 VanDerWaalsContact O-O 3.1Å; G183-L191 VanDerWaalsContact CA-CD1 3.49Å
184T73.3Confident75.8Confident114 Ų11470.3 Ų70.370%0.69939%0.389SS*.THydrogen-bonded Turntrans-73.5-20.3174.649.70000113.6E180 Q181 L182E180-T184 PolarHBondContact O-N 3.12Å; Q181-T184 PolarHBondContact O-OG1 2.88Å; L182-T184 VanDerWaalsContact C-N 3.33Å
185T68.9Low74.8Confident102 Ų10275.7 Ų75.763%0.62640%0.398SS*.THydrogen-bonded Turntrans-97.7-18.3-177.851.90000114.4L182 G183L182-T185 PolarHBondContact O-N 3.49Å; L182-T185 PolarHBondContact O-OG1 3.49Å; G183-T185 VanDerWaalsContact C-N 3.29Å; G183-T185 PolarHBondContact O-N 3.35Å
186L61.8Low73.8Confident51 Ų5180.7 Ų80.727%0.26742%0.417SS..SBendtrans-120.1148.8-173.5-62.1175.4000110.1L182 G183 E190 L194L182-L186 PolarHBondContact O-N 3.16Å; G183-L186 VanDerWaalsContact O-O 3.1Å; L186-E190 HydrophobicContact CB-CB 4.14Å; L186-L194 HydrophobicContact CD1-CD2 4.2Å
187D68.6Low73.3Confident122 Ų12283.6 Ų83.665%0.65243%0.431SS*.  trans-61.4148.3175.8-161.8-76000110.5G189 E190 L191D187-G189 PolarHBondContact O-N 3.27Å; D187-G189 PolarHBondContact OD1-N 3.29Å; D187-E190 PolarHBondContact O-N 3.36Å; D187-L191 PolarHBondContact O-N 3.45Å; D187-L191 VanDerWaalsContact O-N 3.13Å
188M64.4Low73.3Confident157 Ų15784 Ų8477%0.77343%0.428SS*.Hα-helixtrans-50.1-33.7-177.1-102.9-72.6-135.900112.7R192M188-R192 PolarHBondContact O-N 3.35Å
189G62.5Low73.3Confident54 Ų5489.5 Ų89.556%0.55745%0.447SS*.Hα-helixtrans-64.7-43.5175.700000113.8D187 R192 G193D187-G189 PolarHBondContact O-N 3.27Å; D187-G189 PolarHBondContact OD1-N 3.29Å; G189-R192 PolarHBondContact O-N 3.21Å; G189-G193 PolarHBondContact O-N 2.85Å
190E66.3Low73.3Confident112 Ų11288.7 Ų88.752%0.52344%0.443SS..Hα-helixtrans-71.2-37.2179.8-66-172.3127.200111.6L186 D187 R192 G193 L194L186-E190 HydrophobicContact CB-CB 4.14Å; D187-E190 PolarHBondContact O-N 3.36Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 3.11Å; E190-G193 PolarHBondContact O-N 3.36Å; E190-G193 VanDerWaalsContact O-N 3.1Å; E190-L194 PolarHBondContact O-N 3.28Å
191L65.6Low73.4Confident31 Ų3188.4 Ų88.416%0.16245%0.449CS..Hα-helixtrans-59.5-39.1177.2-173.661.7000112.1G183 D187 L194 R195G183-L191 VanDerWaalsContact CA-CD1 3.49Å; D187-L191 PolarHBondContact O-N 3.45Å; D187-L191 VanDerWaalsContact O-N 3.13Å; L191-L194 PolarHBondContact O-N 3.47Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 2.8Å; L191-R195 VanDerWaalsContact O-N 3.16Å
192R65.1Low73.4Confident184 Ų18485.9 Ų85.969%0.69444%0.439SS*.Hα-helixtrans-66.4-37.6176.7-167.4178.5-176.5-151.63111.9M188 G189 E190M188-R192 PolarHBondContact O-N 3.35Å; G189-R192 PolarHBondContact O-N 3.21Å; E190-R192 VanDerWaalsContact C-N 3.28Å; E190-R192 PolarHBondContact O-N 3.11Å
193G64.8Low73.8Confident41 Ų4186.8 Ų86.842%0.42345%0.445SS..Hα-helixtrans-65.4-43.5173.300000112.2G189 E190 R195 R196 N197G189-G193 PolarHBondContact O-N 2.85Å; E190-G193 PolarHBondContact O-N 3.36Å; E190-G193 VanDerWaalsContact O-N 3.1Å; G193-R195 VanDerWaalsContact C-N 3.3Å; G193-R195 PolarHBondContact O-N 3.22Å; G193-R196 PolarHBondContact O-N 2.81Å; G193-N197 PolarHBondContact O-N 3.39Å; G193-N197 VanDerWaalsContact O-N 3.16Å
194L69Low74.5Confident13 Ų1389.7 Ų89.77%0.06846%0.462CS..Hα-helixtrans-63.5-33.4-179.5-170.269000112.9L182 L186 E190 L191 R196 N197 Y198 Y213L182-L194 HydrophobicContact CB-CD2 4.35Å; L182-L194 HydrophobicContact CD1-CD2 4.33Å; L186-L194 HydrophobicContact CD1-CD2 4.2Å; E190-L194 PolarHBondContact O-N 3.28Å; L191-L194 PolarHBondContact O-N 3.47Å; L194-R196 PolarHBondContact O-N 2.77Å; L194-N197 WeakPolarHBondContact CA-O 3.15Å; L194-N197 CarbonylContact O-C 3.38Å; L194-N197 PolarHBondContact O-N 3.03Å; L194-Y198 HydrophobicContact CD1-CD1 4.33Å; L194-Y198 HydrophobicContact CG-CD1 4.23Å; L194-Y198 WeakPolarHBondContact O-CD1 3.23Å; L194-Y213 HydrophobicContact CD1-CD1 4.07Å; L194-Y213 HydrophobicContact CD1-CD2 4.28Å; L194-Y213 HydrophobicContact CD1-CE1 3.57Å; L194-Y213 HydrophobicContact CD1-CE2 3.81Å; L194-Y213 HydrophobicContact CD1-CG 4.4Å; L194-Y213 VanDerWaalsContact CD1-CZ 3.42Å; L194-Y213 HydrophobicContact CD2-CD1 4.09Å; L194-Y213 HydrophobicContact CD2-CE1 3.55Å; L194-Y213 HydrophobicContact CG-CE1 4.17Å
195R70.3Confident75.3Confident166 Ų16686.7 Ų86.763%0.62644%0.444SS*.THydrogen-bonded Turntrans-61-27.3174.2-71.5-134.8-170.6-159.41.1113.4L179 L191 G193L179-R195 HydrophobicContact CD2-CG 4.36Å; L191-R195 WeakPolarHBondContact O-CG 3.49Å; L191-R195 PolarHBondContact O-N 2.8Å; L191-R195 VanDerWaalsContact O-N 3.16Å; G193-R195 VanDerWaalsContact C-N 3.3Å; G193-R195 PolarHBondContact O-N 3.22Å
196R70.1Confident76.4Confident189 Ų18985.5 Ų85.571%0.71344%0.44SS*.THydrogen-bonded Turntrans-86.5-47179.2-65-178.8176.6-171-2.8111G193 L194G193-R196 PolarHBondContact O-N 2.81Å; L194-R196 PolarHBondContact O-N 2.77Å
197N78.8Confident77.7Confident111 Ų11185.1 Ų85.159%0.59444%0.438SS*.  trans-137.2123.8179.4-75.852.9000110.6G193 L194 R199G193-N197 PolarHBondContact O-N 3.39Å; G193-N197 VanDerWaalsContact O-N 3.16Å; L194-N197 WeakPolarHBondContact CA-O 3.15Å; L194-N197 CarbonylContact O-C 3.38Å; L194-N197 PolarHBondContact O-N 3.03Å; N197-R199 PolarHBondContact O-N 3.1Å
198Y87.4Confident78.7Confident26 Ų2686.6 Ų86.610%0.10245%0.445CS..EExtended strand (participates in β ladder)trans-79.269.8175.7-51.1-72.5000111.5R175 L194 L207 I210R175-Y198 PolarHBondContact NH2-OH 3.45Å; L194-Y198 HydrophobicContact CD1-CD1 4.33Å; L194-Y198 HydrophobicContact CG-CD1 4.23Å; L194-Y198 WeakPolarHBondContact O-CD1 3.23Å; Y198-L207 WeakPolarHBondContact CB-O 3.31Å; Y198-L207 PolarHBondContact O-N 3.35Å; Y198-I210 HydrophobicContact CD1-CB 4.25Å; Y198-I210 HydrophobicContact CD1-CD1 3.73Å; Y198-I210 HydrophobicContact CE1-CB 3.66Å; Y198-I210 HydrophobicContact CE1-CD1 3.59Å; Y198-I210 HydrophobicContact CE1-CG1 4.14Å
199R88.7Confident79.9Confident142 Ų14280.4 Ų80.454%0.53642%0.418SS..EExtended strand (participates in β ladder)trans-101.2128.9-178.2-176.4174.4177.1173.6-0.9111.1N197 V205N197-R199 PolarHBondContact O-N 3.1Å; R199-V205 CarbonylContact C-O 3.59Å; R199-V205 WeakPolarHBondContact CA-O 3.31Å
200C87.8Confident81.1Confident2 Ų277.9 Ų77.91%0.01439%0.391CS..EExtended strand (participates in β ladder)trans-91.2124.3168.6177.80000109.2C203 S204 V205 Y213 H216 H222C200-C203 PolarHBondContact SG-N 2.66Å; C200-S204 WeakPolarHBondContact O-CA 3.46Å; C200-S204 PolarHBondContact O-N 3.43Å; C200-V205 HydrophobicContact CB-CG2 3.86Å; C200-V205 PolarHBondContact N-O 3.37Å; C200-V205 PolarHBondContact O-N 2.75Å; C200-Y213 HydrophobicContact CB-CE2 4.05Å; C200-H216 WeakPolarHBondContact CB-NE2 3Å; C200-H216 PolarHBondContact SG-NE2 3.17Å; C200-H222 PolarHBondContact SG-CE1 2.77Å; C200-H222 PolarHBondContact SG-ND1 3.43Å; C200-H222 VanDerWaalsContact SG-ND1 3.43Å
201T85.6Confident82.3Confident107 Ų10775.7 Ų75.766%0.65638%0.381SS*.THydrogen-bonded Turntrans-80.7-23.9-178.7510000113.1
202I87.1Confident83.5Confident49 Ų4979 Ų7925%0.25140%0.395SS..THydrogen-bonded Turntrans-79.1-40.9179.5-65.5151.3000111.5N225 L226I202-N225 HydrophobicContact CG2-CB 3.59Å; I202-L226 HydrophobicContact CD1-CD2 3.26Å; I202-L226 HydrophobicContact CD1-CG 3.92Å; I202-L226 HydrophobicContact CG1-CD2 4.42Å
203C90.2Very high84.7Confident28 Ų2871 Ų7119%0.18937%0.365CS..THydrogen-bonded Turntrans-97.9-4.3178.6-61.40000112.8C200 V205 H216 H222C200-C203 PolarHBondContact SG-N 2.66Å; C203-V205 HydrophobicContact CB-CG1 4.25Å; C203-V205 HydrophobicContact CB-CG2 4.05Å; C203-V205 PolarHBondContact O-N 2.67Å; C203-V205 VanDerWaalsContact O-N 3.11Å; C203-H216 VanDerWaalsContact SG-CE1 3.51Å; C203-H222 PolarHBondContact SG-ND1 3.38Å; C203-H222 VanDerWaalsContact SG-ND1 3.43Å
204S88.4Confident85.9Confident83 Ų8370.5 Ų70.558%0.5835%0.352SS*.THydrogen-bonded Turntrans51.730.1-174.3-67.30000114.5C200C200-S204 WeakPolarHBondContact O-CA 3.46Å; C200-S204 PolarHBondContact O-N 3.43Å
205V90.3Very high87Confident51 Ų5172.8 Ų72.831%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-99.5139.5178-62.40000111.1R199 C200 C203 H216R199-V205 CarbonylContact C-O 3.59Å; R199-V205 WeakPolarHBondContact CA-O 3.31Å; C200-V205 HydrophobicContact CB-CG2 3.86Å; C200-V205 PolarHBondContact N-O 3.37Å; C200-V205 PolarHBondContact O-N 2.75Å; C203-V205 HydrophobicContact CB-CG1 4.25Å; C203-V205 HydrophobicContact CB-CG2 4.05Å; C203-V205 PolarHBondContact O-N 2.67Å; C203-V205 VanDerWaalsContact O-N 3.11Å; V205-H216 VanDerWaalsContact CG2-CE1 3.42Å; V205-H216 WeakPolarHBondContact CG2-CE1 3.03Å
206S91.1Very high88Confident77 Ų7766.7 Ų66.754%0.53835%0.351SS..EExtended strand (participates in β ladder)trans-109127.5172.5-59.30000109.3
207L90.3Very high88.9Confident43 Ų4359.4 Ų59.423%0.22533%0.326CS..EExtended strand (participates in β ladder)trans-115154.9-176.4-63.3166.5000110.2Y198 Q212 Y213 H216Y198-L207 WeakPolarHBondContact CB-O 3.31Å; Y198-L207 PolarHBondContact O-N 3.35Å; L207-Q212 HydrophobicContact CB-CB 4.3Å; L207-Q212 HydrophobicContact CD1-CB 4.46Å; L207-Q212 HydrophobicContact CD2-CB 4.44Å; L207-Y213 HydrophobicContact CD1-CD2 4.22Å; L207-H216 HydrophobicContact CD1-CB 3.54Å
208N89.1Confident89.5Confident153 Ų15360.8 Ų60.882%0.81833%0.327SS*.SBendtrans-97.8-6-173.5-68.7-65.4000113.3
209S88.9Confident89.7Confident27 Ų2760.8 Ų60.819%0.18934%0.335CS..  trans-142.3145.4-176.6138.70000111E211 Q212 Y213S209-E211 VanDerWaalsContact C-N 3.26Å; S209-E211 PolarHBondContact O-N 3.39Å; S209-E211 WeakPolarHBondContact OG-CB 3.45Å; S209-E211 PolarHBondContact OG-N 3.01Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; S209-Q212 WeakPolarHBondContact O-CB 3.44Å; S209-Q212 PolarHBondContact O-N 3.42Å; S209-Q212 PolarHBondContact OG-N 3.13Å; S209-Y213 PolarHBondContact O-N 2.81Å
210I88.3Confident89.9Confident1 Ų158.8 Ų58.81%0.00534%0.343CS..Hα-helixtrans-65.5-34.9176.7-172.759.5000111.4R175 L178 L179 L182 Y198 Q212 Y213 H214R175-I210 HydrophobicContact CG-CG2 3.77Å; L178-I210 HydrophobicContact CB-CG1 4.19Å; L179-I210 HydrophobicContact CD1-CB 4.07Å; L179-I210 HydrophobicContact CD1-CD1 4.44Å; L179-I210 HydrophobicContact CD1-CG1 3.67Å; L179-I210 HydrophobicContact CD1-CG2 3.91Å; L179-I210 HydrophobicContact CG-CG1 4.34Å; L182-I210 HydrophobicContact CD1-CD1 3.18Å; L182-I210 HydrophobicContact CD1-CG1 4.04Å; Y198-I210 HydrophobicContact CD1-CB 4.25Å; Y198-I210 HydrophobicContact CD1-CD1 3.73Å; Y198-I210 HydrophobicContact CE1-CB 3.66Å; Y198-I210 HydrophobicContact CE1-CD1 3.59Å; Y198-I210 HydrophobicContact CE1-CG1 4.14Å; I210-Q212 VanDerWaalsContact C-N 3.33Å; I210-Q212 PolarHBondContact O-N 3.2Å; I210-Y213 HydrophobicContact CD1-CD1 4.17Å; I210-Y213 PolarHBondContact O-N 2.96Å; I210-H214 VanDerWaalsContact O-CB 3.32Å; I210-H214 WeakPolarHBondContact O-CB 3.42Å; I210-H214 PolarHBondContact O-N 3.17Å
211E90.5Very high90Very high66 Ų6667.3 Ų67.331%0.30838%0.38SS..Hα-helixtrans-61.8-43.8175.9-58.881.4176.800110.5L178 S209 A215L178-E211 HydrophobicContact CD1-CB 4.44Å; L178-E211 HydrophobicContact CD1-CG 3.95Å; S209-E211 VanDerWaalsContact C-N 3.26Å; S209-E211 PolarHBondContact O-N 3.39Å; S209-E211 WeakPolarHBondContact OG-CB 3.45Å; S209-E211 PolarHBondContact OG-N 3.01Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; E211-A215 VanDerWaalsContact O-CB 3.32Å; E211-A215 WeakPolarHBondContact O-CB 3.08Å; E211-A215 PolarHBondContact O-N 2.88Å
212Q91.2Very high90.2Very high99 Ų9962.5 Ų62.546%0.46335%0.35SS..Hα-helixtrans-65-41.9174.6-66.3178.8-40.800111.9L207 S209 I210 A215 H216L207-Q212 HydrophobicContact CB-CB 4.3Å; L207-Q212 HydrophobicContact CD1-CB 4.46Å; L207-Q212 HydrophobicContact CD2-CB 4.44Å; S209-Q212 WeakPolarHBondContact O-CB 3.44Å; S209-Q212 PolarHBondContact O-N 3.42Å; S209-Q212 PolarHBondContact OG-N 3.13Å; I210-Q212 VanDerWaalsContact C-N 3.33Å; I210-Q212 PolarHBondContact O-N 3.2Å; Q212-A215 PolarHBondContact O-N 3.38Å; Q212-H216 WeakPolarHBondContact O-CB 3.3Å; Q212-H216 PolarHBondContact O-N 2.98Å
213Y90.6Very high90.4Very high17 Ų1764.2 Ų64.27%0.06736%0.357CS..Hα-helixtrans-64-47.2178.8-177.5-99.8000112.5L182 L194 C200 L207 S209 I210 A215 H216 L217L182-Y213 HydrophobicContact CD1-CD1 3.84Å; L182-Y213 HydrophobicContact CD1-CE1 4.16Å; L182-Y213 HydrophobicContact CD2-CD1 4.5Å; L182-Y213 HydrophobicContact CD2-CE1 4.23Å; L194-Y213 HydrophobicContact CD1-CD1 4.07Å; L194-Y213 HydrophobicContact CD1-CD2 4.28Å; L194-Y213 HydrophobicContact CD1-CE1 3.57Å; L194-Y213 HydrophobicContact CD1-CE2 3.81Å; L194-Y213 HydrophobicContact CD1-CG 4.4Å; L194-Y213 VanDerWaalsContact CD1-CZ 3.42Å; L194-Y213 HydrophobicContact CD2-CD1 4.09Å; L194-Y213 HydrophobicContact CD2-CE1 3.55Å; L194-Y213 HydrophobicContact CG-CE1 4.17Å; C200-Y213 HydrophobicContact CB-CE2 4.05Å; L207-Y213 HydrophobicContact CD1-CD2 4.22Å; S209-Y213 PolarHBondContact O-N 2.81Å; I210-Y213 HydrophobicContact CD1-CD1 4.17Å; I210-Y213 PolarHBondContact O-N 2.96Å; Y213-A215 VanDerWaalsContact C-N 3.33Å; Y213-A215 PolarHBondContact O-N 2.98Å; Y213-H216 WeakPolarHBondContact O-CB 3.17Å; Y213-H216 PolarHBondContact O-N 3.12Å; Y213-H216 VanDerWaalsContact O-N 3.16Å; Y213-L217 HydrophobicContact CD1-CD1 4.03Å; Y213-L217 HydrophobicContact CD1-CG 4.49Å; Y213-L217 HydrophobicContact CE1-CD1 3.52Å; Y213-L217 HydrophobicContact CE1-CG 4.15Å; Y213-L217 WeakPolarHBondContact O-CG 3.39Å; Y213-L217 PolarHBondContact O-N 3.29Å
214H89.8Confident90.5Very high31 Ų3166.4 Ų66.414%0.14437%0.37CS..Hα-helixtrans-61.6-41174.4172.6-102.1000112.1L178 L182 I210 H216 L217 K218L178-H214 HydrophobicContact CD2-CB 4.35Å; L178-H214 VanDerWaalsContact CD2-CE1 3.47Å; L178-H214 WeakPolarHBondContact CD2-CE1 3.24Å; L182-H214 HydrophobicContact CD1-CB 4.44Å; I210-H214 VanDerWaalsContact O-CB 3.32Å; I210-H214 WeakPolarHBondContact O-CB 3.42Å; I210-H214 PolarHBondContact O-N 3.17Å; H214-H216 VanDerWaalsContact C-N 3.33Å; H214-H216 PolarHBondContact O-N 2.95Å; H214-L217 PolarHBondContact O-N 3.32Å; H214-K218 WeakPolarHBondContact CE1-CE 3.19Å; H214-K218 PolarHBondContact CE1-NZ 3.22Å; H214-K218 WeakPolarHBondContact NE2-CE 3.29Å; H214-K218 PolarHBondContact NE2-NZ 3.14Å; H214-K218 PolarHBondContact O-N 3.45Å
215A92.6Very high90.5Very high60 Ų6065.8 Ų65.850%0.49636%0.359SS..Hα-helixtrans-63.8-37.6173.700000112.4E211 Q212 Y213 K218 G219E211-A215 VanDerWaalsContact O-CB 3.32Å; E211-A215 WeakPolarHBondContact O-CB 3.08Å; E211-A215 PolarHBondContact O-N 2.88Å; Q212-A215 PolarHBondContact O-N 3.38Å; Y213-A215 VanDerWaalsContact C-N 3.33Å; Y213-A215 PolarHBondContact O-N 2.98Å; A215-K218 PolarHBondContact O-N 3.48Å; A215-G219 PolarHBondContact O-N 2.86Å; A215-G219 VanDerWaalsContact O-N 3.12Å
216H91.9Very high90.4Very high38 Ų3866.5 Ų66.518%0.17636%0.361CS..Hα-helixtrans-61.6-46.1175.7167.876.8000112C200 C203 V205 L207 Q212 Y213 H214 K218 G219 H222C200-H216 WeakPolarHBondContact CB-NE2 3Å; C200-H216 PolarHBondContact SG-NE2 3.17Å; C203-H216 VanDerWaalsContact SG-CE1 3.51Å; V205-H216 VanDerWaalsContact CG2-CE1 3.42Å; V205-H216 WeakPolarHBondContact CG2-CE1 3.03Å; L207-H216 HydrophobicContact CD1-CB 3.54Å; Q212-H216 WeakPolarHBondContact O-CB 3.3Å; Q212-H216 PolarHBondContact O-N 2.98Å; Y213-H216 WeakPolarHBondContact O-CB 3.17Å; Y213-H216 PolarHBondContact O-N 3.12Å; Y213-H216 VanDerWaalsContact O-N 3.16Å; H214-H216 VanDerWaalsContact C-N 3.33Å; H214-H216 PolarHBondContact O-N 2.95Å; H216-K218 PolarHBondContact O-N 3.02Å; H216-G219 PolarHBondContact O-N 3.11Å; H216-H222 AromaticContact NE2-CG 3.96Å; H216-H222 AromaticContact NE2-ND1 3.39Å; H216-H222 PolarHBondContact NE2-ND1 2.66Å; H216-H222 VanDerWaalsContact O-CB 3.25Å; H216-H222 WeakPolarHBondContact O-CB 2.84Å
217L89.2Confident90.2Very high36 Ų3671 Ų7119%0.18837%0.371CS..Hα-helixtrans-61.8-33.8178.7-65.8176.8000112.5L182 Y213 H214 G219 H222 Q223L182-L217 HydrophobicContact CD2-CD1 3.36Å; Y213-L217 HydrophobicContact CD1-CD1 4.03Å; Y213-L217 HydrophobicContact CD1-CG 4.49Å; Y213-L217 HydrophobicContact CE1-CD1 3.52Å; Y213-L217 HydrophobicContact CE1-CG 4.15Å; Y213-L217 WeakPolarHBondContact O-CG 3.39Å; Y213-L217 PolarHBondContact O-N 3.29Å; H214-L217 PolarHBondContact O-N 3.32Å; L217-G219 VanDerWaalsContact C-N 3.3Å; L217-H222 WeakPolarHBondContact CD2-NE2 3Å; L217-H222 PolarHBondContact O-CD2 2.9Å; L217-Q223 PolarHBondContact O-NE2 3.09Å
218K89.9Confident89.9Confident140 Ų14075.2 Ų75.261%0.60939%0.394SS*.THydrogen-bonded Turntrans-80.8-7.7174.8-66.6-175178.2-177.50113.9H214 A215 H216H214-K218 WeakPolarHBondContact CE1-CE 3.19Å; H214-K218 PolarHBondContact CE1-NZ 3.22Å; H214-K218 WeakPolarHBondContact NE2-CE 3.29Å; H214-K218 PolarHBondContact NE2-NZ 3.14Å; H214-K218 PolarHBondContact O-N 3.45Å; A215-K218 PolarHBondContact O-N 3.48Å; H216-K218 PolarHBondContact O-N 3.02Å
219G91.7Very high88.7Confident27 Ų2778 Ų7828%0.27840%0.399SS..SBendtrans-77.3144.5-176.400000112.9A215 H216 L217 K221 H222 Q223A215-G219 PolarHBondContact O-N 2.86Å; A215-G219 VanDerWaalsContact O-N 3.12Å; H216-G219 PolarHBondContact O-N 3.11Å; L217-G219 VanDerWaalsContact C-N 3.3Å; G219-K221 VanDerWaalsContact C-N 3.26Å; G219-K221 PolarHBondContact O-N 2.97Å; G219-H222 PolarHBondContact O-N 3.09Å; G219-Q223 WeakPolarHBondContact O-CG 3.23Å; G219-Q223 PolarHBondContact O-N 3.09Å; G219-Q223 VanDerWaalsContact O-N 3.11Å
220S93.1Very high88.7Confident100 Ų10080.6 Ų80.670%0.69941%0.409SS*.Hα-helixtrans-54.9-38.8-177.8-44.10000113.3H222 Q223 T224S220-H222 VanDerWaalsContact C-N 3.33Å; S220-H222 PolarHBondContact O-N 3.4Å; S220-Q223 PolarHBondContact O-N 3.34Å; S220-T224 PolarHBondContact O-N 3.03Å; S220-T224 PolarHBondContact O-OG1 3.39Å; S220-T224 VanDerWaalsContact O-OG1 3.08Å
221K89.8Confident88.8Confident180 Ų18084.7 Ų84.778%0.78343%0.431SS*.Hα-helixtrans-58.4-43.9177.7-67.4-175.4178.3-1770112.3G219 N225G219-K221 VanDerWaalsContact C-N 3.26Å; G219-K221 PolarHBondContact O-N 2.97Å; K221-N225 PolarHBondContact O-N 3.11Å; K221-N225 PolarHBondContact O-OD1 2.59Å
222H90.7Very high88.7Confident7 Ų785.8 Ų85.83%0.03244%0.437CS..Hα-helixtrans-69.2-43.3178.5-177.377.8000111C200 C203 H216 L217 G219 S220 T224 N225 L226C200-H222 PolarHBondContact SG-CE1 2.77Å; C200-H222 PolarHBondContact SG-ND1 3.43Å; C200-H222 VanDerWaalsContact SG-ND1 3.43Å; C203-H222 PolarHBondContact SG-ND1 3.38Å; C203-H222 VanDerWaalsContact SG-ND1 3.43Å; H216-H222 AromaticContact NE2-CG 3.96Å; H216-H222 AromaticContact NE2-ND1 3.39Å; H216-H222 PolarHBondContact NE2-ND1 2.66Å; H216-H222 VanDerWaalsContact O-CB 3.25Å; H216-H222 WeakPolarHBondContact O-CB 2.84Å; L217-H222 WeakPolarHBondContact CD2-NE2 3Å; L217-H222 PolarHBondContact O-CD2 2.9Å; G219-H222 PolarHBondContact O-N 3.09Å; S220-H222 VanDerWaalsContact C-N 3.33Å; S220-H222 PolarHBondContact O-N 3.4Å; H222-T224 VanDerWaalsContact C-N 3.33Å; H222-T224 PolarHBondContact O-N 3.28Å; H222-N225 PolarHBondContact O-N 3.35Å; H222-L226 WeakPolarHBondContact CD2-CD1 3.43Å; H222-L226 VanDerWaalsContact NE2-CD1 3.31Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.24Å; H222-L226 WeakPolarHBondContact O-CB 3.3Å; H222-L226 PolarHBondContact O-N 2.9Å
223Q91.3Very high88.5Confident84 Ų8485 Ų8539%0.39344%0.436SS..Hα-helixtrans-61.1-38.8178.3-66-64.4-34.700112.7L217 G219 S220 L226 K227L217-Q223 PolarHBondContact O-NE2 3.09Å; G219-Q223 WeakPolarHBondContact O-CG 3.23Å; G219-Q223 PolarHBondContact O-N 3.09Å; G219-Q223 VanDerWaalsContact O-N 3.11Å; S220-Q223 PolarHBondContact O-N 3.34Å; Q223-L226 PolarHBondContact O-N 2.88Å; Q223-K227 WeakPolarHBondContact O-CG 3.44Å; Q223-K227 PolarHBondContact O-N 2.97Å
224T91.8Very high88.4Confident75 Ų7589.3 Ų89.346%0.4646%0.459SS..Hα-helixtrans-66-44.7173.4-56.40000111.5S220 H222 L226 K227 N228S220-T224 PolarHBondContact O-N 3.03Å; S220-T224 PolarHBondContact O-OG1 3.39Å; S220-T224 VanDerWaalsContact O-OG1 3.08Å; H222-T224 VanDerWaalsContact C-N 3.33Å; H222-T224 PolarHBondContact O-N 3.28Å; T224-L226 VanDerWaalsContact C-N 3.29Å; T224-L226 PolarHBondContact O-N 3.06Å; T224-K227 PolarHBondContact O-N 2.67Å; T224-N228 PolarHBondContact O-N 2.86Å; T224-N228 PolarHBondContact O-OD1 3.12Å
225N88.2Confident88.3Confident69 Ų6993.1 Ų93.137%0.36948%0.48SS..Hα-helixtrans-65.8-32.1177.8-70.75.9000112.9I202 K221 H222 N228I202-N225 HydrophobicContact CG2-CB 3.59Å; K221-N225 PolarHBondContact O-N 3.11Å; K221-N225 PolarHBondContact O-OD1 2.59Å; H222-N225 PolarHBondContact O-N 3.35Å; N225-N228 PolarHBondContact O-N 3.1Å
226L87.8Confident88Confident67 Ų6795.5 Ų95.535%0.35148%0.479SS..Hα-helixtrans-63.4-40.5173.4-89.4172.7000112.2I202 H222 Q223 T224 N228I202-L226 HydrophobicContact CD1-CD2 3.26Å; I202-L226 HydrophobicContact CD1-CG 3.92Å; I202-L226 HydrophobicContact CG1-CD2 4.42Å; H222-L226 WeakPolarHBondContact CD2-CD1 3.43Å; H222-L226 VanDerWaalsContact NE2-CD1 3.31Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.24Å; H222-L226 WeakPolarHBondContact O-CB 3.3Å; H222-L226 PolarHBondContact O-N 2.9Å; Q223-L226 PolarHBondContact O-N 2.88Å; T224-L226 VanDerWaalsContact C-N 3.29Å; T224-L226 PolarHBondContact O-N 3.06Å; L226-N228 VanDerWaalsContact C-N 3.33Å
227K87.3Confident87.7Confident171 Ų17199.9 Ų99.974%0.74350%0.502SS*.Hα-helixtrans-73.1-25.1179.4-70.7177.1-179.8-173.70113.4Q223 T224 K229Q223-K227 WeakPolarHBondContact O-CG 3.44Å; Q223-K227 PolarHBondContact O-N 2.97Å; T224-K227 PolarHBondContact O-N 2.67Å; K227-K229 VanDerWaalsContact C-N 3.31Å
228N83.9Confident87.6Confident131 Ų131105.3 Ų105.370%0.70153%0.528SS*.THydrogen-bonded Turntrans-89.25-179.1-67.6-2.7000113.2T224 N225 L226T224-N228 PolarHBondContact O-N 2.86Å; T224-N228 PolarHBondContact O-OD1 3.12Å; N225-N228 PolarHBondContact O-N 3.1Å; L226-N228 VanDerWaalsContact C-N 3.33Å
229K65.3Low87.3Confident212 Ų212102.1 Ų102.192%0.92252%0.521SS*.  trans-105.80177.9-174.7176.2177.3-1720109.9K227K227-K229 VanDerWaalsContact C-N 3.31Å

Retrieved 229 of 229 residues in 43.2 ms (Link to these results)

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