A0A096NHT3_PAPAN Loading...

Chromosome 6 open reading frame 89

AlphaFold DB , UniProt , Accession A0A096NHT3, Species PAPAN (Papio anubis, Olive baboon), Gene C6orf89, Length 354 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
1M44.4Very low46.1Very low218 Ų218125.6 Ų125.6100%1.07464%0.642SS**  023.30-99.4173.8172.500109.9
2D39.9Very low46.8Very low128 Ų128119.8 Ų119.868%0.68463%0.627SS**  trans-101.7-16.1-166-51.1-76000113
3F36.2Very low47.5Very low174 Ų174118.2 Ų118.276%0.76362%0.62SS**Hα-helixtrans-74.1-26.6178.9-115-86.5000114.3
4I46.9Very low48Very low138 Ų138118.4 Ų118.471%0.70862%0.616SS**Hα-helixtrans-81-24.8-179.6-62.9-171.6000111.1M8I4-M8 WeakPolarHBondContact O-CB 3.47Å; I4-M8 PolarHBondContact O-N 3.06Å
5L43.3Very low48.5Very low112 Ų112117.6 Ų117.659%0.58661%0.611SS**Hα-helixtrans-76.9-39.7-178.6-138.2111.3000111.6M8 D9L5-M8 PolarHBondContact O-N 2.9Å; L5-D9 PolarHBondContact O-N 3.17Å; L5-D9 VanDerWaalsContact O-N 3.09Å
6E48.9Very low49.2Very low130 Ų130113.4 Ų113.461%0.60760%0.595SS**Hα-helixtrans-65.9-40.5178.5-86.2178.5126.200113.4M8 D9 L10E6-M8 VanDerWaalsContact C-N 3.32Å; E6-M8 PolarHBondContact O-N 3.17Å; E6-D9 PolarHBondContact O-N 3.32Å; E6-L10 WeakPolarHBondContact O-CB 3.27Å; E6-L10 PolarHBondContact O-N 3.16Å
7D47.3Very low49.8Very low110 Ų110111.5 Ų111.559%0.58859%0.585SS**Hα-helixtrans-68.3-32.7177.1-87.9-13.5000112.2A11D7-A11 WeakPolarHBondContact O-CB 3.33Å; D7-A11 PolarHBondContact O-N 3.42Å
8M46.5Very low50.2Low126 Ų126113.9 Ų113.962%0.62159%0.586SS**Hα-helixtrans-73.6-36.5179.3-146.7173.574.400111.6I4 L5 E6 A12I4-M8 WeakPolarHBondContact O-CB 3.47Å; I4-M8 PolarHBondContact O-N 3.06Å; L5-M8 PolarHBondContact O-N 2.9Å; E6-M8 VanDerWaalsContact C-N 3.32Å; E6-M8 PolarHBondContact O-N 3.17Å; M8-A12 VanDerWaalsContact O-CB 3.3Å; M8-A12 WeakPolarHBondContact O-CB 3.25Å; M8-A12 PolarHBondContact O-N 3.27Å
9D49.6Very low51Low99 Ų99113.2 Ų113.253%0.52958%0.583SS.*Hα-helixtrans-72.6-34.7174.8-76.4-20.7000112.3L5 E6 N13L5-D9 PolarHBondContact O-N 3.17Å; L5-D9 VanDerWaalsContact O-N 3.09Å; E6-D9 PolarHBondContact O-N 3.32Å; D9-N13 VanDerWaalsContact O-CB 3.31Å; D9-N13 WeakPolarHBondContact O-CB 3.45Å; D9-N13 PolarHBondContact O-N 3.3Å
10L53.5Low51.6Low103 Ų103114.4 Ų114.454%0.53958%0.584SS.*Hα-helixtrans-64.5-46.8171.3-90.2157.4000111.9E6 N13 E14E6-L10 WeakPolarHBondContact O-CB 3.27Å; E6-L10 PolarHBondContact O-N 3.16Å; L10-N13 PolarHBondContact O-N 3.46Å; L10-E14 PolarHBondContact O-N 3.41Å
11A51Low52.2Low44 Ų44111.4 Ų111.436%0.36457%0.569SS.*Hα-helixtrans-65.7-39.4178.100000112.3D7 N13 E14 I15D7-A11 WeakPolarHBondContact O-CB 3.33Å; D7-A11 PolarHBondContact O-N 3.42Å; A11-N13 VanDerWaalsContact C-N 3.34Å; A11-E14 PolarHBondContact O-N 3.17Å; A11-I15 WeakPolarHBondContact O-CD1 2.94Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 2.89Å
12A53.9Low53.3Low56 Ų56103.7 Ų103.746%0.46354%0.537SS..Hα-helixtrans-65.6-3717600000112.3M8 S16M8-A12 VanDerWaalsContact O-CB 3.3Å; M8-A12 WeakPolarHBondContact O-CB 3.25Å; M8-A12 PolarHBondContact O-N 3.27Å; A12-S16 WeakPolarHBondContact O-CB 3.01Å; A12-S16 PolarHBondContact O-N 2.91Å; A12-S16 VanDerWaalsContact O-N 3.09Å
13N55.9Low54.7Low99 Ų99104.5 Ų104.553%0.52954%0.536SS..Hα-helixtrans-70.4-38.6175.2-164.725.7000111.8D9 L10 A11 S16 I17D9-N13 VanDerWaalsContact O-CB 3.31Å; D9-N13 WeakPolarHBondContact O-CB 3.45Å; D9-N13 PolarHBondContact O-N 3.3Å; L10-N13 PolarHBondContact O-N 3.46Å; A11-N13 VanDerWaalsContact C-N 3.34Å; N13-S16 PolarHBondContact O-N 3.23Å; N13-I17 WeakPolarHBondContact O-CD1 3.27Å; N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.33Å; N13-I17 PolarHBondContact O-N 2.87Å; N13-I17 VanDerWaalsContact O-N 3.14Å
14E54.8Low56.3Low120 Ų120100.1 Ų100.156%0.56152%0.524SS*.Hα-helixtrans-63-45.8173.5-77.3-171.5164.700112L10 A11 S16 I17 Y18L10-E14 PolarHBondContact O-N 3.41Å; A11-E14 PolarHBondContact O-N 3.17Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.92Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-I17 VanDerWaalsContact O-N 3.14Å; E14-Y18 WeakPolarHBondContact O-CD2 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å
15I55.7Low57.3Low107 Ų10795 Ų9555%0.54950%0.499SS..Hα-helixtrans-60.3-40176.8-66.8160.2000110.8A11 I17 Y18 D19A11-I15 WeakPolarHBondContact O-CD1 2.94Å; A11-I15 WeakPolarHBondContact O-CG1 3.47Å; A11-I15 PolarHBondContact O-N 2.89Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.03Å; I15-Y18 PolarHBondContact O-N 3.1Å; I15-D19 PolarHBondContact O-N 2.94Å; I15-D19 VanDerWaalsContact O-N 3.15Å
16S58.6Low58.7Low51 Ų5194.3 Ų94.336%0.35750%0.496SS..Hα-helixtrans-65.2-31.4176.9-176.10000113.9A12 N13 E14 K20A12-S16 WeakPolarHBondContact O-CB 3.01Å; A12-S16 PolarHBondContact O-N 2.91Å; A12-S16 VanDerWaalsContact O-N 3.09Å; N13-S16 PolarHBondContact O-N 3.23Å; E14-S16 VanDerWaalsContact C-N 3.29Å; E14-S16 PolarHBondContact O-N 2.92Å; S16-K20 WeakPolarHBondContact O-CG 3.3Å; S16-K20 PolarHBondContact O-N 2.98Å
17I59.7Low59.9Low81 Ų8193.1 Ų93.142%0.41549%0.493SS..Hα-helixtrans-73.4-41.1179.4-68161.8000110.7N13 E14 I15 K20 L21N13-I17 WeakPolarHBondContact O-CD1 3.27Å; N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.33Å; N13-I17 PolarHBondContact O-N 2.87Å; N13-I17 VanDerWaalsContact O-N 3.14Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-I17 VanDerWaalsContact O-N 3.14Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 3.03Å; I17-K20 PolarHBondContact O-N 3.3Å; I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 PolarHBondContact O-N 3.47Å
18Y58.3Low61.2Low154 Ų15489.3 Ų89.360%0.60447%0.474SS*.Hα-helixtrans-68.2-38.7177.6-72.3-70.7000112.5E14 I15 L21 S22E14-Y18 WeakPolarHBondContact O-CD2 3.4Å; E14-Y18 PolarHBondContact O-N 3.48Å; I15-Y18 PolarHBondContact O-N 3.1Å; Y18-L21 PolarHBondContact O-N 3.24Å; Y18-S22 PolarHBondContact O-N 2.94Å; Y18-S22 PolarHBondContact O-OG 3.43Å
19D63.9Low62.4Low101 Ų10188.1 Ų88.154%0.5446%0.462SS..Hα-helixtrans-63.3-43175.7-82.3-13.6000112I15 L21 S22 E23I15-D19 PolarHBondContact O-N 2.94Å; I15-D19 VanDerWaalsContact O-N 3.15Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.48Å; D19-S22 WeakPolarHBondContact CA-OG 3.41Å; D19-S22 PolarHBondContact O-N 3.03Å; D19-S22 PolarHBondContact O-OG 3.04Å; D19-E23 PolarHBondContact O-N 3.26Å
20K64.3Low63.6Low136 Ų13689.7 Ų89.759%0.59147%0.466SS*.Hα-helixtrans-63.7-37.7174-79.5179.8178.8173.10112S16 I17 T24S16-K20 WeakPolarHBondContact O-CG 3.3Å; S16-K20 PolarHBondContact O-N 2.98Å; I17-K20 PolarHBondContact O-N 3.3Å; K20-T24 PolarHBondContact O-N 3.09Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.48Å
21L62.8Low64.6Low53 Ų5388.1 Ų88.128%0.27746%0.461SS..Hα-helixtrans-67.2-40.7175.8-110.1111.4000111.9I17 Y18 D19 T24 V25 L50I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 PolarHBondContact O-N 3.47Å; Y18-L21 PolarHBondContact O-N 3.24Å; D19-L21 VanDerWaalsContact C-N 3.32Å; D19-L21 PolarHBondContact O-N 3.48Å; L21-T24 PolarHBondContact O-N 3.45Å; L21-V25 WeakPolarHBondContact O-CB 3.49Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.37Å; L21-L50 HydrophobicContact CD2-CD2 3.59Å
22S67.6Low65.5Low56 Ų5686.4 Ų86.439%0.39245%0.448SS..Hα-helixtrans-63.3-42175.8520000112.1Y18 D19 T24 V25 D26Y18-S22 PolarHBondContact O-N 2.94Å; Y18-S22 PolarHBondContact O-OG 3.43Å; D19-S22 WeakPolarHBondContact CA-OG 3.41Å; D19-S22 PolarHBondContact O-N 3.03Å; D19-S22 PolarHBondContact O-OG 3.04Å; S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 3.42Å; S22-V25 PolarHBondContact O-N 3.33Å; S22-V25 VanDerWaalsContact O-N 3.16Å; S22-D26 PolarHBondContact O-N 2.94Å
23E70.8Confident66.4Low144 Ų14488.6 Ų88.667%0.67345%0.448SS*.Hα-helixtrans-62.7-38.1177-167.9177.8-167.600111.5D19 L27D19-E23 PolarHBondContact O-N 3.26Å; E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 PolarHBondContact O-N 3.29Å; E23-L27 VanDerWaalsContact O-N 3.08Å
24T69Low67.1Low83 Ų8391.5 Ų91.551%0.50946%0.459SS..Hα-helixtrans-69.1-37.7176-40.50000111.9K20 L21 S22 V28K20-T24 PolarHBondContact O-N 3.09Å; K20-T24 VanDerWaalsContact O-N 3.08Å; K20-T24 PolarHBondContact O-OG1 3.48Å; L21-T24 PolarHBondContact O-N 3.45Å; S22-T24 VanDerWaalsContact C-N 3.28Å; S22-T24 PolarHBondContact O-N 3.42Å; T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.98Å; T24-V28 VanDerWaalsContact O-N 3.1Å
25V68.6Low67.8Low29 Ų2990.9 Ų90.918%0.17647%0.466CS..Hα-helixtrans-69-40.1177.9168.30000111.4L21 S22 V28 R29 I46L21-V25 WeakPolarHBondContact O-CB 3.49Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.32Å; L21-V25 PolarHBondContact O-N 3.37Å; S22-V25 PolarHBondContact O-N 3.33Å; S22-V25 VanDerWaalsContact O-N 3.16Å; V25-V28 PolarHBondContact O-N 3.04Å; V25-R29 PolarHBondContact O-N 3.08Å; V25-I46 HydrophobicContact CG1-CD1 3.95Å; V25-I46 HydrophobicContact CG1-CG1 4.2Å; V25-I46 HydrophobicContact CG1-CG2 3.94Å; V25-I46 HydrophobicContact CG2-CG2 4.31Å
26D72.8Confident68.6Low99 Ų9989.1 Ų89.153%0.52947%0.474SS..Hα-helixtrans-67.6-39.1177.4-73.4-25.1000111.6S22 V28 R29 Q30S22-D26 PolarHBondContact O-N 2.94Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-V28 PolarHBondContact O-N 3.37Å; D26-R29 PolarHBondContact O-N 3.14Å; D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 3.09Å
27L74.3Confident69.4Low105 Ų10590.6 Ų90.655%0.5548%0.477SS..Hα-helixtrans-62-40.8173.1-173.267.1000112E23 Q30 T31E23-L27 WeakPolarHBondContact O-CB 3.47Å; E23-L27 PolarHBondContact O-N 3.29Å; E23-L27 VanDerWaalsContact O-N 3.08Å; L27-Q30 PolarHBondContact O-N 3.25Å; L27-T31 PolarHBondContact O-N 2.95Å; L27-T31 PolarHBondContact O-OG1 3.35Å
28V73.3Confident70Confident29 Ų2990.5 Ų90.518%0.17648%0.483CS..Hα-helixtrans-66.3-37.1175.5168.50000111.4T24 V25 D26 T31 G32 F45 I46 L49T24-V28 VanDerWaalsContact O-CG2 3.24Å; T24-V28 WeakPolarHBondContact O-CG2 3.41Å; T24-V28 PolarHBondContact O-N 2.98Å; T24-V28 VanDerWaalsContact O-N 3.1Å; V25-V28 PolarHBondContact O-N 3.04Å; D26-V28 VanDerWaalsContact C-N 3.33Å; D26-V28 PolarHBondContact O-N 3.37Å; V28-T31 WeakPolarHBondContact CA-OG1 3.23Å; V28-T31 PolarHBondContact O-OG1 3.37Å; V28-G32 PolarHBondContact O-N 2.96Å; V28-F45 HydrophobicContact CG1-CD1 3.78Å; V28-F45 HydrophobicContact CG1-CE1 4.15Å; V28-I46 HydrophobicContact CG1-CG1 4.31Å; V28-L49 HydrophobicContact CG1-CD1 4.34Å; V28-L49 HydrophobicContact CG2-CD1 4.14Å
29R72.8Confident70.8Confident102 Ų10289 Ų8939%0.38548%0.481SS..Hα-helixtrans-66.6-43.8175.5-158.6179.1-159.7118.62.8111.1V25 D26 G32 H33 E39 I42V25-R29 PolarHBondContact O-N 3.08Å; D26-R29 PolarHBondContact O-N 3.14Å; R29-G32 PolarHBondContact O-N 2.76Å; R29-H33 PolarHBondContact O-CD2 3.32Å; R29-H33 PolarHBondContact O-N 3Å; R29-E39 IonicContact NH2-OE1 3.75Å; R29-E39 PolarHBondContact NH2-OE1 3.36Å; R29-I42 HydrophobicContact CB-CG2 4.5Å; R29-I42 HydrophobicContact CG-CG2 4.16Å
30Q74.4Confident71.3Confident132 Ų13292.1 Ų92.162%0.61749%0.49SS*.Hα-helixtrans-65.2-44.3178.9-170.3175.61.700112.1D26 L27 H33 Q34D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 3.09Å; L27-Q30 PolarHBondContact O-N 3.25Å; Q30-H33 PolarHBondContact O-N 3.38Å; Q30-Q34 PolarHBondContact O-N 3.45Å; Q30-Q34 VanDerWaalsContact O-N 3.11Å
31T74Confident71.7Confident69 Ų6987.3 Ų87.342%0.42348%0.476SS..Hα-helixtrans-68.1-37.8175.338.50000112.5L27 V28 H33 Q34 C35L27-T31 PolarHBondContact O-N 2.95Å; L27-T31 PolarHBondContact O-OG1 3.35Å; V28-T31 WeakPolarHBondContact CA-OG1 3.23Å; V28-T31 PolarHBondContact O-OG1 3.37Å; T31-H33 VanDerWaalsContact C-N 3.35Å; T31-H33 PolarHBondContact O-N 3.3Å; T31-Q34 PolarHBondContact O-N 3.36Å; T31-C35 PolarHBondContact O-N 3.3Å
32G70.3Confident72.1Confident8 Ų885 Ų858%0.08246%0.464CS..Hα-helixtrans-60.8-40.817500000113.1V28 R29 C35 G36 M37V28-G32 PolarHBondContact O-N 2.96Å; R29-G32 PolarHBondContact O-N 2.76Å; G32-C35 PolarHBondContact O-N 3.22Å; G32-G36 PolarHBondContact O-N 3.16Å; G32-M37 WeakPolarHBondContact O-CB 3.26Å; G32-M37 PolarHBondContact O-N 3.1Å
33H72.9Confident72.5Confident103 Ų10387.9 Ų87.948%0.47747%0.471SS..Hα-helixtrans-67.9-37.9173.6-76.3-59.6000112.5R29 Q30 T31 C35 G36R29-H33 PolarHBondContact O-CD2 3.32Å; R29-H33 PolarHBondContact O-N 3Å; Q30-H33 PolarHBondContact O-N 3.38Å; T31-H33 VanDerWaalsContact C-N 3.35Å; T31-H33 PolarHBondContact O-N 3.3Å; H33-C35 VanDerWaalsContact C-N 3.3Å; H33-C35 PolarHBondContact O-N 2.87Å; H33-G36 PolarHBondContact O-N 3.33Å; H33-G36 VanDerWaalsContact O-N 3.15Å
34Q70.3Confident72.9Confident160 Ų16088.5 Ų88.575%0.74847%0.472SS*.Hα-helixtrans-66.1-30.6176.1-120.7174.7-1100113Q30 T31 G36Q30-Q34 PolarHBondContact O-N 3.45Å; Q30-Q34 VanDerWaalsContact O-N 3.11Å; T31-Q34 PolarHBondContact O-N 3.36Å; Q34-G36 VanDerWaalsContact C-N 3.31Å
35C70.4Confident73.2Confident107 Ų10789.5 Ų89.572%0.72347%0.469SS*.THydrogen-bonded Turntrans-86.17174.1-75.70000114.2T31 G32 H33 M37T31-C35 PolarHBondContact O-N 3.3Å; G32-C35 PolarHBondContact O-N 3.22Å; H33-C35 VanDerWaalsContact C-N 3.3Å; H33-C35 PolarHBondContact O-N 2.87Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.24Å
36G70.6Confident73.4Confident69 Ų6989 Ų8971%0.71147%0.465SS*.THydrogen-bonded Turntrans7020.9176.700000114.5G32 H33 Q34G32-G36 PolarHBondContact O-N 3.16Å; H33-G36 PolarHBondContact O-N 3.33Å; H33-G36 VanDerWaalsContact O-N 3.15Å; Q34-G36 VanDerWaalsContact C-N 3.31Å
37M75.5Confident73.4Confident83 Ų8392.4 Ų92.441%0.40947%0.471SS..  trans-73139.7177.4-67-176.964.400111.1G32 C35 A41 I42G32-M37 WeakPolarHBondContact O-CB 3.26Å; G32-M37 PolarHBondContact O-N 3.1Å; C35-M37 VanDerWaalsContact C-N 3.28Å; C35-M37 PolarHBondContact O-N 3.24Å; M37-A41 HydrophobicContact CE-CB 3.71Å; M37-I42 HydrophobicContact CB-CD1 4.27Å; M37-I42 HydrophobicContact CB-CG1 3.91Å
38S73.8Confident73.3Confident79 Ų7993.5 Ų93.555%0.55247%0.473SS*.  trans-65.6146.8171.968.80000111.1K40 A41 I42S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.11Å; S38-A41 WeakPolarHBondContact O-CA 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.31Å; S38-A41 PolarHBondContact O-N 3.15Å; S38-I42 PolarHBondContact O-N 3.45Å
39E74.4Confident73.2Confident122 Ų12294.8 Ų94.857%0.5748%0.478SS*.Hα-helixtrans-56-33.8-176-162.6172.8-168.900113R29 A41 I42 E43R29-E39 IonicContact NH2-OE1 3.75Å; R29-E39 PolarHBondContact NH2-OE1 3.36Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 2.03Å; E39-I42 PolarHBondContact O-N 3.11Å; E39-E43 PolarHBondContact O-N 3.38Å
40K73.5Confident72.9Confident166 Ų16693.9 Ų93.972%0.72248%0.481SS*.Hα-helixtrans-67.3-29.4175.4-66.9-175.8178.9-179.90113.8S38 K44S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.11Å; K40-K44 PolarHBondContact O-N 2.9Å
41A72.9Confident72.8Confident35 Ų3594.4 Ų94.429%0.28948%0.483SS..Hα-helixtrans-77.4-37.5176.600000111M37 S38 E39 K44 F45M37-A41 HydrophobicContact CE-CB 3.71Å; S38-A41 WeakPolarHBondContact O-CA 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.31Å; S38-A41 PolarHBondContact O-N 3.15Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 2.03Å; A41-K44 PolarHBondContact O-N 3.43Å; A41-F45 PolarHBondContact O-N 3Å; A41-F45 VanDerWaalsContact O-N 3.1Å
42I72.4Confident72.6Confident5 Ų599.6 Ų99.63%0.02650%0.5CS..Hα-helixtrans-63.7-44.7173.7-59.9173.1000109.9R29 M37 S38 E39 K44 F45 I46R29-I42 HydrophobicContact CB-CG2 4.5Å; R29-I42 HydrophobicContact CG-CG2 4.16Å; M37-I42 HydrophobicContact CB-CD1 4.27Å; M37-I42 HydrophobicContact CB-CG1 3.91Å; S38-I42 PolarHBondContact O-N 3.45Å; E39-I42 PolarHBondContact O-N 3.11Å; I42-K44 PolarHBondContact O-N 2.93Å; I42-F45 PolarHBondContact O-N 3.05Å; I42-F45 VanDerWaalsContact O-N 3.16Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.97Å
43E76.5Confident72Confident116 Ų116103.6 Ų103.654%0.54252%0.52SS..Hα-helixtrans-61.4-42.2177.6-168.8-173.7170.100112.7E39 F45 I46 R47E39-E43 PolarHBondContact O-N 3.38Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.85Å; E43-I46 PolarHBondContact O-N 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.25Å; E43-R47 PolarHBondContact O-N 3.49Å
44K78.4Confident71.4Confident158 Ų158104.1 Ų104.169%0.68752%0.522SS*.Hα-helixtrans-62.4-38.7174.8-81.8-174.5178.5-176.80112.3K40 A41 I42 R47 Q48K40-K44 PolarHBondContact O-N 2.9Å; A41-K44 PolarHBondContact O-N 3.43Å; I42-K44 PolarHBondContact O-N 2.93Å; K44-R47 PolarHBondContact O-N 2.89Å; K44-Q48 PolarHBondContact O-N 2.89Å
45F74.2Confident70.5Confident103 Ų103100.9 Ų100.945%0.45252%0.515SS..Hα-helixtrans-70.9-42179.4-166.1-102.6000112V28 A41 I42 E43 R47 Q48 L49V28-F45 HydrophobicContact CG1-CD1 3.78Å; V28-F45 HydrophobicContact CG1-CE1 4.15Å; A41-F45 PolarHBondContact O-N 3Å; A41-F45 VanDerWaalsContact O-N 3.1Å; I42-F45 PolarHBondContact O-N 3.05Å; I42-F45 VanDerWaalsContact O-N 3.16Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 2.85Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.97Å; F45-Q48 PolarHBondContact O-N 3.42Å; F45-L49 HydrophobicContact CD1-CD1 3.69Å; F45-L49 HydrophobicContact CD1-CG 4.43Å; F45-L49 HydrophobicContact CE1-CD1 3.5Å; F45-L49 VanDerWaalsContact CE1-CD1 3.5Å; F45-L49 HydrophobicContact CE1-CG 4.21Å; F45-L49 HydrophobicContact CZ-CD1 4.38Å; F45-L49 PolarHBondContact O-N 2.83Å
46I73Confident69.8Low19 Ų19104.8 Ų104.810%0.09752%0.523CS..Hα-helixtrans-60.1-43.7172.6-68.3167.4000110.3V25 V28 I42 E43 Q48 L49 L50V25-I46 HydrophobicContact CG1-CD1 3.95Å; V25-I46 HydrophobicContact CG1-CG1 4.2Å; V25-I46 HydrophobicContact CG1-CG2 3.94Å; V25-I46 HydrophobicContact CG2-CG2 4.31Å; V28-I46 HydrophobicContact CG1-CG1 4.31Å; I42-I46 HydrophobicContact CG2-CD1 3.76Å; I42-I46 HydrophobicContact CG2-CG1 4.36Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.97Å; E43-I46 PolarHBondContact O-N 3.32Å; I46-Q48 PolarHBondContact O-N 3.49Å; I46-L49 PolarHBondContact O-N 3.07Å; I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.46Å
47R73.8Confident69Low171 Ų171111.3 Ų111.365%0.64553%0.526SS*.Hα-helixtrans-61.8-43178-170.6178.4-88.6-104.32.6111.8E43 K44 F45 L50 E51E43-R47 WeakPolarHBondContact O-CB 3.25Å; E43-R47 PolarHBondContact O-N 3.49Å; K44-R47 PolarHBondContact O-N 2.89Å; F45-R47 VanDerWaalsContact C-N 3.31Å; F45-R47 PolarHBondContact O-N 2.97Å; R47-L50 PolarHBondContact O-N 2.93Å; R47-E51 VanDerWaalsContact O-CB 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.36Å; R47-E51 PolarHBondContact O-N 3.03Å
48Q72.3Confident68Low127 Ų127112.7 Ų112.759%0.59354%0.541SS*.Hα-helixtrans-65-36.4174.3-77.8-172.2-40.700113.1K44 F45 I46 K52K44-Q48 PolarHBondContact O-N 2.89Å; F45-Q48 PolarHBondContact O-N 3.42Å; I46-Q48 PolarHBondContact O-N 3.49Å; Q48-K52 VanDerWaalsContact O-CB 3.26Å; Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.3Å; Q48-K52 VanDerWaalsContact O-N 3.08Å
49L70.9Confident67Low56 Ų56114.2 Ų114.229%0.29355%0.549SS..Hα-helixtrans-67.5-42176.1-86.7167.5000112.1V28 F45 I46 K52 N53V28-L49 HydrophobicContact CG1-CD1 4.34Å; V28-L49 HydrophobicContact CG2-CD1 4.14Å; F45-L49 HydrophobicContact CD1-CD1 3.69Å; F45-L49 HydrophobicContact CD1-CG 4.43Å; F45-L49 HydrophobicContact CE1-CD1 3.5Å; F45-L49 VanDerWaalsContact CE1-CD1 3.5Å; F45-L49 HydrophobicContact CE1-CG 4.21Å; F45-L49 HydrophobicContact CZ-CD1 4.38Å; F45-L49 PolarHBondContact O-N 2.83Å; I46-L49 PolarHBondContact O-N 3.07Å; L49-K52 PolarHBondContact O-N 2.97Å; L49-N53 WeakPolarHBondContact O-CB 3.43Å; L49-N53 PolarHBondContact O-N 3.09Å; L49-N53 VanDerWaalsContact O-N 3.09Å; L49-N53 PolarHBondContact O-ND2 3.19Å
50L67.1Low66.1Low83 Ų83112.1 Ų112.144%0.43555%0.546SS..Hα-helixtrans-67.5-42.7177.7-73.4168.9000111.6L21 I46 R47 K52 N53 E54L21-L50 HydrophobicContact CD2-CD2 3.59Å; I46-L50 HydrophobicContact CG2-CD1 3.78Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CG 3.27Å; I46-L50 PolarHBondContact O-N 3.46Å; R47-L50 PolarHBondContact O-N 2.93Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.37Å; L50-N53 PolarHBondContact O-N 3.15Å; L50-E54 PolarHBondContact O-N 3.43Å
51E71.3Confident65.7Low143 Ų143112.5 Ų112.567%0.66855%0.55SS**Hα-helixtrans-66.3-32.8178.4-166.6171.9-168.100112R47R47-E51 VanDerWaalsContact O-CB 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.36Å; R47-E51 PolarHBondContact O-N 3.03Å
52K69.1Low65.1Low179 Ų179118.2 Ų118.278%0.77857%0.565SS**Hα-helixtrans-78.2-25.7176.8-170.9172.6179.2176.80113.7Q48 L49 L50Q48-K52 VanDerWaalsContact O-CB 3.26Å; Q48-K52 WeakPolarHBondContact O-CB 3.43Å; Q48-K52 PolarHBondContact O-N 3.3Å; Q48-K52 VanDerWaalsContact O-N 3.08Å; L49-K52 PolarHBondContact O-N 2.97Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.37Å
53N58.8Low64.9Low92 Ų92121.7 Ų121.749%0.49259%0.588SS.*SBendtrans-103.97.9-178.9-72.3-73.2000113.4L49 L50 P55L49-N53 WeakPolarHBondContact O-CB 3.43Å; L49-N53 PolarHBondContact O-N 3.09Å; L49-N53 VanDerWaalsContact O-N 3.09Å; L49-N53 PolarHBondContact O-ND2 3.19Å; L50-N53 PolarHBondContact O-N 3.15Å; N53-P55 VanDerWaalsContact O-CD 3.23Å; N53-P55 WeakPolarHBondContact O-CD 3.23Å; N53-P55 VanDerWaalsContact O-N 3.08Å
54E61.2Low64.6Low114 Ų114122.9 Ų122.953%0.53360%0.597SS.*  trans-60.6116.9173.9-164.9173.2178.700108.1L50 Q56 R57L50-E54 PolarHBondContact O-N 3.43Å; E54-Q56 PolarHBondContact O-N 3.4Å; E54-R57 IonicContact OE1-NH2 3.62Å
55P51.3Low64.4Low91 Ų91120.8 Ų120.859%0.59159%0.593SS**  trans-59.9126.4179.321.6-29.3000107.6N53 R57N53-P55 VanDerWaalsContact O-CD 3.23Å; N53-P55 WeakPolarHBondContact O-CD 3.23Å; N53-P55 VanDerWaalsContact O-N 3.08Å; P55-R57 PolarHBondContact O-N 3.24Å
56Q54Low64.4Low190 Ų190119.5 Ų119.589%0.88859%0.59SS**  trans-57.1109.8174.4-73-151.410.800107.9E54 P58E54-Q56 PolarHBondContact O-N 3.4Å; Q56-P58 WeakPolarHBondContact O-CD 3.06Å; Q56-P58 VanDerWaalsContact O-N 3.1Å
57R54.1Low64.9Low206 Ų206122.8 Ų122.878%0.77761%0.611SS**PPolyproline II helixtrans-53.1121.7177.6-75.6-170.7-168.6108.914.6107.5E54 P55E54-R57 IonicContact OE1-NH2 3.62Å; P55-R57 PolarHBondContact O-N 3.24Å
58P55.8Low65.4Low111 Ų111118.5 Ų118.572%0.72160%0.603SS**PPolyproline II helixtrans-57.3138.7174.922.4-30.4000108.2Q56Q56-P58 WeakPolarHBondContact O-CD 3.06Å; Q56-P58 VanDerWaalsContact O-N 3.1Å
59P52.4Low66Low112 Ų112120.5 Ų120.573%0.72761%0.607SS**PPolyproline II helixtrans-56.5134.4177.722.9-31.7000108.7Q61P59-Q61 PolarHBondContact O-N 3.14Å; P59-Q61 VanDerWaalsContact O-N 3.17Å
60P56.1Low66.7Low77 Ų77124.3 Ų124.350%0.562%0.621SS.*PPolyproline II helixtrans-57.9124.1-175.821.6-31.9000109.8Y62 P63 I66P60-Y62 PolarHBondContact O-N 3.34Å; P60-P63 HydrophobicContact CG-CB 4.48Å; P60-P63 WeakPolarHBondContact O-CD 3.24Å; P60-I66 HydrophobicContact CB-CD1 3.65Å
61Q63.2Low67.8Low175 Ų175124.4 Ų124.482%0.81863%0.625SS**SBendtrans-61.8-17.6-175.5-82174.2-8.500113.6P59P59-Q61 PolarHBondContact O-N 3.14Å; P59-Q61 VanDerWaalsContact O-N 3.17Å
62Y61.3Low68.6Low154 Ų154122.8 Ų122.860%0.60462%0.62SS**  trans-144.682174.3-61.6-79.6000111.7P60 L64 L65 I66P60-Y62 PolarHBondContact O-N 3.34Å; Y62-L64 PolarHBondContact O-N 2.89Å; Y62-L65 HydrophobicContact CD1-CD1 4.32Å; Y62-L65 HydrophobicContact CG-CD1 3.98Å; Y62-L65 PolarHBondContact O-N 3.21Å; Y62-I66 PolarHBondContact O-N 3.02Å
63P68.6Low69.5Low78 Ų78116.7 Ų116.751%0.50660%0.603SS.*Hα-helixtrans-62.5-31.2-176.825-33000112.3P60 V67P60-P63 HydrophobicContact CG-CB 4.48Å; P60-P63 WeakPolarHBondContact O-CD 3.24Å; P63-V67 VanDerWaalsContact O-CG2 3.25Å; P63-V67 WeakPolarHBondContact O-CG2 3.32Å; P63-V67 PolarHBondContact O-N 2.92Å
64L70.9Confident71Confident141 Ų141116 Ų11674%0.73860%0.603SS**Hα-helixtrans-70.3-41.1179.6-66.2174.4000112.8Y62 I66 V67 V68Y62-L64 PolarHBondContact O-N 2.89Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.29Å; L64-V67 PolarHBondContact O-N 3.23Å; L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 2.66Å
65L73.3Confident72.4Confident114 Ų114115 Ų11560%0.59760%0.601SS**Hα-helixtrans-65-38.7178.7-81168.4000111.8Y62 V67 V68 Y69Y62-L65 HydrophobicContact CD1-CD1 4.32Å; Y62-L65 HydrophobicContact CG-CD1 3.98Å; Y62-L65 PolarHBondContact O-N 3.21Å; L65-V67 VanDerWaalsContact C-N 3.35Å; L65-V68 PolarHBondContact O-N 3.08Å; L65-Y69 WeakPolarHBondContact O-CB 3.4Å; L65-Y69 PolarHBondContact O-N 3.5Å
66I74.4Confident74.2Confident77 Ų77112.5 Ų112.540%0.39559%0.591SS.*Hα-helixtrans-66-40.1176.6-63.1170.8000110.8P60 Y62 L64 K70P60-I66 HydrophobicContact CB-CD1 3.65Å; Y62-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact C-N 3.33Å; L64-I66 PolarHBondContact O-N 3.29Å; I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.32Å; I66-K70 WeakPolarHBondContact O-CG 2.99Å; I66-K70 PolarHBondContact O-N 2.91Å
67V82.3Confident75.8Confident87 Ų87108.9 Ų108.953%0.52758%0.577SS.*Hα-helixtrans-66.2-46176.4171.60000110.8P63 L64 L65 Y69 K70 V71P63-V67 VanDerWaalsContact O-CG2 3.25Å; P63-V67 WeakPolarHBondContact O-CG2 3.32Å; P63-V67 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 3.23Å; L65-V67 VanDerWaalsContact C-N 3.35Å; V67-Y69 PolarHBondContact O-N 2.89Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.34Å; V67-V71 PolarHBondContact O-N 2.98Å
68V84.2Confident77.5Confident81 Ų81103.9 Ų103.949%0.49157%0.565SS.*Hα-helixtrans-61.2-45.4177.91720000111.1L64 L65 K70 V71 L72L64-V68 VanDerWaalsContact O-CG2 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 2.66Å; L65-V68 PolarHBondContact O-N 3.08Å; V68-K70 PolarHBondContact O-N 3.36Å; V68-V71 PolarHBondContact O-N 3.44Å; V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.4Å
69Y85.7Confident79Confident170 Ų170104 Ų10467%0.66756%0.559SS**Hα-helixtrans-60.4-44.4175.8174.9-101.1000112.1L65 V67 V71 L72 A73L65-Y69 WeakPolarHBondContact O-CB 3.4Å; L65-Y69 PolarHBondContact O-N 3.5Å; V67-Y69 PolarHBondContact O-N 2.89Å; Y69-V71 VanDerWaalsContact C-N 3.32Å; Y69-V71 PolarHBondContact O-N 3.12Å; Y69-L72 PolarHBondContact O-N 2.95Å; Y69-A73 WeakPolarHBondContact O-CB 3.28Å; Y69-A73 PolarHBondContact O-N 3.31Å
70K86.4Confident80.4Confident136 Ų136103.2 Ų103.259%0.59155%0.548SS*.Hα-helixtrans-61.4-40.5176.2-79-179.5176.7-177.50112.1I66 V67 V68 A73 T74I66-K70 HydrophobicContact CG2-CD 4.35Å; I66-K70 WeakPolarHBondContact O-CB 3.31Å; I66-K70 VanDerWaalsContact O-CG 3.32Å; I66-K70 WeakPolarHBondContact O-CG 2.99Å; I66-K70 PolarHBondContact O-N 2.91Å; V67-K70 PolarHBondContact O-N 2.83Å; V68-K70 PolarHBondContact O-N 3.36Å; K70-A73 PolarHBondContact O-N 2.77Å; K70-T74 VanDerWaalsContact O-CG2 3.28Å; K70-T74 WeakPolarHBondContact O-CG2 3.35Å; K70-T74 PolarHBondContact O-N 2.94Å; K70-T74 PolarHBondContact O-OG1 2.85Å; K70-T74 VanDerWaalsContact O-OG1 3.05Å
71V89.7Confident81.5Confident84 Ų84103.2 Ų103.251%0.50955%0.546SS..Hα-helixtrans-66.6-41.6177.3172.10000111.4V67 V68 Y69 T74 L75V67-V71 HydrophobicContact CG1-CG2 4.46Å; V67-V71 VanDerWaalsContact O-CG2 3.3Å; V67-V71 WeakPolarHBondContact O-CG2 3.34Å; V67-V71 PolarHBondContact O-N 2.98Å; V68-V71 PolarHBondContact O-N 3.44Å; Y69-V71 VanDerWaalsContact C-N 3.32Å; Y69-V71 PolarHBondContact O-N 3.12Å; V71-T74 WeakPolarHBondContact CA-OG1 2.97Å; V71-T74 PolarHBondContact O-OG1 3.4Å; V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 PolarHBondContact O-N 3.26Å
72L88.4Confident82.5Confident109 Ų10996.4 Ų96.457%0.57152%0.52SS*.Hα-helixtrans-66.3-41.5176.6-71.8171.2000111.9V68 Y69 L75 G76V68-L72 HydrophobicContact CG1-CD1 4.01Å; V68-L72 HydrophobicContact CG1-CG 4.48Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.4Å; Y69-L72 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 2.95Å; L72-G76 PolarHBondContact O-N 3.02Å
73A87.6Confident83.3Confident51 Ų5196 Ų9642%0.42152%0.519SS..Hα-helixtrans-65.2-42.8177.700000112Y69 K70 G76 L77Y69-A73 WeakPolarHBondContact O-CB 3.28Å; Y69-A73 PolarHBondContact O-N 3.31Å; K70-A73 PolarHBondContact O-N 2.77Å; A73-G76 PolarHBondContact O-N 3.13Å; A73-L77 PolarHBondContact O-N 2.9Å
74T89.6Confident83.6Confident79 Ų7999 Ų9949%0.48552%0.524SS..Hα-helixtrans-68.2-39.7176.255.30000111.7K70 V71 G76 L77 I78K70-T74 VanDerWaalsContact O-CG2 3.28Å; K70-T74 WeakPolarHBondContact O-CG2 3.35Å; K70-T74 PolarHBondContact O-N 2.94Å; K70-T74 PolarHBondContact O-OG1 2.85Å; K70-T74 VanDerWaalsContact O-OG1 3.05Å; V71-T74 WeakPolarHBondContact CA-OG1 2.97Å; V71-T74 PolarHBondContact O-OG1 3.4Å; T74-G76 PolarHBondContact O-N 3.17Å; T74-L77 PolarHBondContact O-N 3.38Å; T74-I78 WeakPolarHBondContact O-CD1 3.46Å; T74-I78 VanDerWaalsContact O-CG1 3.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.31Å
75L91.3Very high83.7Confident93 Ų9398 Ų9849%0.48752%0.524SS..Hα-helixtrans-62.1-42.9175-171.970.8000111.6V71 L72 I78 L79V71-L75 VanDerWaalsContact O-CB 3.23Å; V71-L75 WeakPolarHBondContact O-CB 3.31Å; V71-L75 PolarHBondContact O-N 3.26Å; L72-L75 PolarHBondContact O-N 2.95Å; L75-I78 PolarHBondContact O-N 3.17Å; L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.91Å
76G88.4Confident83.5Confident38 Ų3898.9 Ų98.939%0.39253%0.527SS..Hα-helixtrans-61.2-42.2174.700000112.8L72 A73 T74 L79 L80L72-G76 PolarHBondContact O-N 3.02Å; A73-G76 PolarHBondContact O-N 3.13Å; T74-G76 PolarHBondContact O-N 3.17Å; G76-L79 PolarHBondContact O-N 3.41Å; G76-L80 WeakPolarHBondContact O-CB 3.13Å; G76-L80 PolarHBondContact O-N 3.14Å
77L89Confident82.6Confident113 Ų113100.5 Ų100.559%0.59253%0.533SS*.Hα-helixtrans-66.4-37.3176.5-166.774.5000112.2A73 T74 L80 T81A73-L77 PolarHBondContact O-N 2.9Å; T74-L77 PolarHBondContact O-N 3.38Å; L77-L80 PolarHBondContact O-N 3.09Å; L77-T81 WeakPolarHBondContact O-CG2 3.38Å; L77-T81 PolarHBondContact O-N 3.02Å; L77-T81 PolarHBondContact O-OG1 3.45Å
78I88.8Confident80.9Confident102 Ų102101.1 Ų101.152%0.52354%0.539SS..Hα-helixtrans-67.8-42.8175.6-68163.7000110.6T74 L75 L80 T81 A82T74-I78 WeakPolarHBondContact O-CD1 3.46Å; T74-I78 VanDerWaalsContact O-CG1 3.22Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.31Å; L75-I78 PolarHBondContact O-N 3.17Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 2.86Å; I78-T81 WeakPolarHBondContact CA-OG1 3.33Å; I78-T81 PolarHBondContact O-N 3.29Å; I78-T81 PolarHBondContact O-OG1 3Å; I78-A82 VanDerWaalsContact O-CB 3.24Å; I78-A82 WeakPolarHBondContact O-CB 3.24Å; I78-A82 PolarHBondContact O-N 3.5Å
79L86.8Confident79.2Confident113 Ų113107.4 Ų107.459%0.59256%0.56SS**Hα-helixtrans-63.7-39.7175.6-79.9165.6000111.9L75 G76 A82 Y83L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CB 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.91Å; G76-L79 PolarHBondContact O-N 3.41Å; L79-A82 PolarHBondContact O-N 3.44Å; L79-Y83 VanDerWaalsContact O-CB 3.31Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 PolarHBondContact O-N 3.46Å
80L82.5Confident77Confident95 Ų95104.1 Ų104.150%0.49756%0.562SS.*Hα-helixtrans-64.4-47.1176.1-166.680.5000111.1G76 L77 I78 Y83 F84G76-L80 WeakPolarHBondContact O-CB 3.13Å; G76-L80 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.09Å; I78-L80 VanDerWaalsContact C-N 3.33Å; I78-L80 PolarHBondContact O-N 2.86Å; L80-Y83 WeakPolarHBondContact O-CB 3.44Å; L80-Y83 PolarHBondContact O-N 3.43Å; L80-F84 HydrophobicContact CD1-CE2 4.2Å; L80-F84 HydrophobicContact CD2-CE2 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.12Å; L80-F84 HydrophobicContact CG-CE2 3.98Å; L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.49Å; L80-F84 PolarHBondContact O-N 2.93Å
81T80.2Confident74.8Confident77 Ų77103.5 Ų103.547%0.47257%0.572SS.*Hα-helixtrans-65.4-40.3177.448.50000111.7L77 I78 Y83 F84 V85L77-T81 WeakPolarHBondContact O-CG2 3.38Å; L77-T81 PolarHBondContact O-N 3.02Å; L77-T81 PolarHBondContact O-OG1 3.45Å; I78-T81 WeakPolarHBondContact CA-OG1 3.33Å; I78-T81 PolarHBondContact O-N 3.29Å; I78-T81 PolarHBondContact O-OG1 3Å; T81-Y83 VanDerWaalsContact C-N 3.35Å; T81-Y83 PolarHBondContact O-N 3.25Å; T81-F84 PolarHBondContact O-N 3.44Å; T81-V85 WeakPolarHBondContact O-CB 3.47Å; T81-V85 WeakPolarHBondContact O-CG2 3.11Å; T81-V85 PolarHBondContact O-N 3.43Å
82A82.4Confident72.5Confident33 Ų33107.8 Ų107.827%0.27359%0.591SS.*Hα-helixtrans-61.4-41.6172.500000112I78 L79 F84 V85 I86I78-A82 VanDerWaalsContact O-CB 3.24Å; I78-A82 WeakPolarHBondContact O-CB 3.24Å; I78-A82 PolarHBondContact O-N 3.5Å; L79-A82 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.81Å; A82-V85 PolarHBondContact O-N 3.46Å; A82-I86 HydrophobicContact CB-CD1 4.09Å; A82-I86 VanDerWaalsContact O-CB 3.25Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.48Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.91Å
83Y79.2Confident69.9Low146 Ų146106.8 Ų106.857%0.57360%0.599SS**Hα-helixtrans-59.9-44.3175.5179.9-95.4000112L79 L80 T81 V85 Q87L79-Y83 VanDerWaalsContact O-CB 3.31Å; L79-Y83 WeakPolarHBondContact O-CB 3.42Å; L79-Y83 PolarHBondContact O-N 3.46Å; L80-Y83 WeakPolarHBondContact O-CB 3.44Å; L80-Y83 PolarHBondContact O-N 3.43Å; T81-Y83 VanDerWaalsContact C-N 3.35Å; T81-Y83 PolarHBondContact O-N 3.25Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 3.45Å; Y83-Q87 PolarHBondContact O-N 3.1Å
84F73.6Confident67.7Low140 Ų140110.1 Ų110.161%0.61462%0.616SS**Hα-helixtrans-68.6-28.5176.2-84.3-73.3000113.8L80 T81 A82L80-F84 HydrophobicContact CD1-CE2 4.2Å; L80-F84 HydrophobicContact CD2-CE2 4.41Å; L80-F84 HydrophobicContact CG-CD2 4.12Å; L80-F84 HydrophobicContact CG-CE2 3.98Å; L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.49Å; L80-F84 PolarHBondContact O-N 2.93Å; T81-F84 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.81Å
85V73.9Confident65Low120 Ų120114.4 Ų114.473%0.72763%0.631SS**Hα-helixtrans-87-31.4-179.5173.30000112.3T81 A82 Y83T81-V85 WeakPolarHBondContact O-CB 3.47Å; T81-V85 WeakPolarHBondContact O-CG2 3.11Å; T81-V85 PolarHBondContact O-N 3.43Å; A82-V85 PolarHBondContact O-N 3.46Å; Y83-V85 VanDerWaalsContact C-N 3.33Å; Y83-V85 PolarHBondContact O-N 3.45Å
86I69Low62.5Low132 Ų132116.1 Ų116.168%0.67765%0.647SS**Hα-helixtrans-87-14.6-177.2-62.1165.3000111.8A82 P88A82-I86 HydrophobicContact CB-CD1 4.09Å; A82-I86 VanDerWaalsContact O-CB 3.25Å; A82-I86 WeakPolarHBondContact O-CB 3.46Å; A82-I86 WeakPolarHBondContact O-CD1 3.48Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 2.91Å; I86-P88 WeakPolarHBondContact O-CD 3.42Å; I86-P88 VanDerWaalsContact O-N 3.14Å
87Q54.9Low60.1Low111 Ų111118.8 Ų118.852%0.51966%0.656SS.*SBendtrans-65.9108.2162.1-95.5-169.8-34.200108.7Y83 F89Y83-Q87 PolarHBondContact O-N 3.1Å; Q87-F89 PolarHBondContact O-N 3.3Å
88P48.3Very low57.8Low100 Ų100120.9 Ų120.965%0.64967%0.667SS**  trans-66.8132.9173.630.3-30.8000107.2I86 S90I86-P88 WeakPolarHBondContact O-CD 3.42Å; I86-P88 VanDerWaalsContact O-N 3.14Å; P88-S90 PolarHBondContact O-N 3.16Å
89F47.9Very low55.5Low213 Ų213121.7 Ų121.793%0.93468%0.682SS**  trans-51.698.7153.7-74-87.1000107.2Q87 P91Q87-F89 PolarHBondContact O-N 3.3Å; F89-P91 WeakPolarHBondContact O-CD 3.49Å
90S39.4Very low53.3Low102 Ų102120 Ų12071%0.71369%0.691SS**PPolyproline II helixtrans-65.6123.6170.4-74.20000107.3P88P88-S90 PolarHBondContact O-N 3.16Å
91P40.8Very low51.2Low122 Ų122119.7 Ų119.779%0.79270%0.702SS**PPolyproline II helixtrans-67.2139.2175.228.9-31.3000108.7F89 A93F89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-A93 PolarHBondContact O-N 2.89Å
92L40.4Very low49.5Very low174 Ų174123 Ų12391%0.91171%0.712SS**PPolyproline II helixtrans-46.2130.7179.4-7689.3000112.6
93A33.8Very low47.9Very low89 Ų89126.7 Ų126.774%0.73673%0.731SS**PPolyproline II helixtrans-97.9140.9146.600000107.9P91P91-A93 PolarHBondContact O-N 2.89Å
94P42.4Very low46.1Very low121 Ų121130 Ų13079%0.78674%0.743SS**PPolyproline II helixtrans-71.3153.5-164.231.4-36.5000112.8
95E32.8Very low44.5Very low169 Ų169133.9 Ų133.979%0.7975%0.754SS**  trans-26.2138.4-179.9-73.8-173.2137.600116.4V97E95-V97 HydrophobicContact CB-CG2 4.47Å
96P37.6Very low43.1Very low128 Ų128130.9 Ų130.983%0.83174%0.738SS**  -111.8116.1107.331-31.3000110.9
97V39.2Very low42.1Very low95 Ų95130 Ų13058%0.57673%0.734SS**  trans-18.8129.2156.9177.80000114.5E95E95-V97 HydrophobicContact CB-CG2 4.47Å
98L40.8Very low41.7Very low157 Ų157131 Ų13182%0.82274%0.742SS**  trans87.8101.5159-67.8161.3000120.4
99S40.1Very low41.5Very low119 Ų119132.7 Ų132.783%0.83274%0.74SS**  117.3105.3119.8-150.10000115
100G40.4Very low41.4Very low76 Ų76128 Ų12878%0.78472%0.721SS**SBendtrans168.9-1.5173.800000116.5
101A38.5Very low41.9Very low89 Ų89129.8 Ų129.874%0.73672%0.721SS**  trans-129.761178.500000111.9
102H44.6Very low42.2Very low148 Ų148133.4 Ų133.469%0.68572%0.719SS**  trans-131.627.3178.2-73.4-35.1000114.7
103T48.4Very low42.5Very low110 Ų110130.5 Ų130.568%0.67570%0.704SS**SBendtrans-89.3-11.7-179.343.80000115.1
104W41.6Very low42.9Very low216 Ų216134.4 Ų134.482%0.81871%0.709SS**SBendtrans-113.9-12.5-176.2-71.793000116.4
105R39.7Very low43.3Very low221 Ų221132.8 Ų132.883%0.83470%0.7SS**SBendtrans-94.3-15173.4-89.6-172.3-175-159.32.5114.6
106S44.4Very low44Very low57 Ų57129.6 Ų129.640%0.39969%0.688SS.*Hα-helixtrans-74-32.5-178.8165.60000112.8I108 H109 H110S106-I108 VanDerWaalsContact C-N 3.28Å; S106-I108 PolarHBondContact O-N 3.16Å; S106-H109 PolarHBondContact O-N 2.77Å; S106-H109 VanDerWaalsContact O-N 3.15Å; S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.01Å; S106-H110 PolarHBondContact OG-CD2 3.08Å; S106-H110 PolarHBondContact OG-NE2 2.9Å; S106-H110 VanDerWaalsContact OG-NE2 3.11Å
107L47.6Very low44.6Very low114 Ų114129 Ų12960%0.59768%0.684SS**Hα-helixtrans-63.4-29.5178.8-82.3162000113.8
108I47.9Very low45Very low132 Ų132130.7 Ų130.768%0.67769%0.689SS**Hα-helixtrans-84.1-19.9179.4-60175.1000111.7S106S106-I108 VanDerWaalsContact C-N 3.28Å; S106-I108 PolarHBondContact O-N 3.16Å
109H43.2Very low45Very low134 Ų134128.1 Ų128.162%0.6268%0.68SS**Hα-helixtrans-81.3-28176.5-120.2-46000113.1S106 I111 R112S106-H109 PolarHBondContact O-N 2.77Å; S106-H109 VanDerWaalsContact O-N 3.15Å; H109-I111 VanDerWaalsContact C-N 3.35Å; H109-R112 PolarHBondContact O-N 3.3Å
110H46.4Very low45Very low116 Ų116131.5 Ų131.554%0.53768%0.679SS.*Hα-helixtrans-74.9-21.5178.6-68.8-57.5000113.9S106 R112S106-H110 PolarHBondContact O-CD2 3.1Å; S106-H110 PolarHBondContact O-N 3.01Å; S106-H110 PolarHBondContact OG-CD2 3.08Å; S106-H110 PolarHBondContact OG-NE2 2.9Å; S106-H110 VanDerWaalsContact OG-NE2 3.11Å; H110-R112 VanDerWaalsContact C-N 3.32Å
111I48.8Very low44.9Very low139 Ų139135.8 Ų135.871%0.71368%0.676SS**SBendtrans-75.6-23.7174.2-63171.3000111.3H109H109-I111 VanDerWaalsContact C-N 3.35Å
112R46.4Very low45.2Very low198 Ų198140.6 Ų140.675%0.74768%0.677SS**SBendtrans-94.3-4.7-178.2-120.2179.2-176.7175.81115.3H109 H110H109-R112 PolarHBondContact O-N 3.3Å; H110-R112 VanDerWaalsContact C-N 3.32Å
113L47.9Very low44.9Very low112 Ų112141.7 Ų141.759%0.58669%0.685SS**SBendtrans-94.1-11.8176.5-94.2153.9000113.6S115L113-S115 VanDerWaalsContact C-N 3.33Å
114M42.4Very low44.3Very low172 Ų172142.1 Ų142.185%0.84769%0.692SS**THydrogen-bonded Turntrans-86.40.7176-73.3-71.7-88.200113.8
115S49.8Very low44.1Very low86 Ų86139.2 Ų139.260%0.60169%0.687SS**THydrogen-bonded Turntrans-11725.3-176.367.90000114.3L113L113-S115 VanDerWaalsContact C-N 3.33Å
116L47.7Very low43.9Very low103 Ų103136.6 Ų136.654%0.53969%0.69SS.*  trans-107.3129.1172.5-71.8173.2000111I118 T119L116-I118 PolarHBondContact O-N 3.45Å; L116-T119 PolarHBondContact O-OG1 2.92Å
117P49.8Very low43.3Very low114 Ų114142.7 Ų142.774%0.7471%0.709SS**THydrogen-bonded Turntrans-74.318.7-168.330.5-35.4000115.2
118I48.4Very low42.3Very low131 Ų131140.4 Ų140.467%0.67271%0.713SS**THydrogen-bonded Turntrans-95.9-21.3-176.7-61.2173.5000111.9L116 K120 K121L116-I118 PolarHBondContact O-N 3.45Å; I118-K120 VanDerWaalsContact C-N 3.25Å; I118-K120 PolarHBondContact O-N 2.89Å; I118-K121 PolarHBondContact O-N 3.41Å
119T40Very low41.5Very low104 Ų104140.8 Ų140.864%0.63872%0.722SS**G310 helixtrans-74.6-12.9174.244.90000113.6L116 K121L116-T119 PolarHBondContact O-OG1 2.92Å; T119-K121 VanDerWaalsContact C-N 3.25Å; T119-K121 PolarHBondContact O-N 3.21Å
120K41.1Very low41.6Very low189 Ų189139.5 Ų139.582%0.82273%0.725SS**G310 helixtrans-76.3-7175.9-150.7177.5-176.2178.90114I118I118-K120 VanDerWaalsContact C-N 3.25Å; I118-K120 PolarHBondContact O-N 2.89Å
121K39.2Very low40.8Very low166 Ų166142.4 Ų142.472%0.72274%0.744SS**G310 helixtrans-92.7-15.8179.3-160175.7-178.4-175.90113.9I118 T119I118-K121 PolarHBondContact O-N 3.41Å; T119-K121 VanDerWaalsContact C-N 3.25Å; T119-K121 PolarHBondContact O-N 3.21Å
122Y43.4Very low39.7Very low190 Ų190144.8 Ų144.875%0.74575%0.751SS**THydrogen-bonded Turntrans-126.98.9-173.1-65.8-75.5000115.4
123M39.8Very low38.7Very low172 Ų172138.7 Ų138.785%0.84775%0.751SS**  trans-132.981.9164.1-77.8-160.5123.300109.8
124S34.7Very low37.6Very low118 Ų118137 Ų13783%0.82576%0.76SS**  trans-105.895.2152.7-167.20000107.2N126S124-N126 PolarHBondContact O-N 3.25Å
125E38.2Very low37Very low155 Ų155136 Ų13672%0.72476%0.758SS**  trans-12.7117.5149.8-166.6175.4-177.200114.4K127E125-K127 PolarHBondContact O-N 2.68Å
126N34.2Very low36.1Very low167 Ų167139.3 Ų139.389%0.89376%0.764SS**  trans-54.9102.1156.4-94.6-12.9000108.6S124S124-N126 PolarHBondContact O-N 3.25Å
127K32.1Very low35.3Very low184 Ų184140.7 Ų140.780%0.877%0.772SS**  trans-82.4130.7159.5-85.3-177.1174.5179.50108.9E125E125-K127 PolarHBondContact O-N 2.68Å
128G27.8Very low34.4Very low66 Ų66146.5 Ų146.568%0.6878%0.779SS**  trans-82.8161.3-174.900000116.1
129V29.6Very low33.7Very low141 Ų141145.7 Ų145.786%0.85578%0.783SS**  trans79.6147.8143.3-169.30000117.3
130P45.2Very low33Very low107 Ų107150.8 Ų150.870%0.69580%0.796SS**  cis-122.3177.1-13.123.8-2.3000112.7
131L29.6Very low32.7Very low177 Ų177147 Ų14793%0.92779%0.791SS**  trans-171.6141.5134.4-99.1160.8000113.1
132H26.9Very low32.5Very low188 Ų188146.1 Ų146.187%0.8779%0.794SS**  trans-100.9142.2-179.6-147.8-29.3000108.3
133G25Very low32Very low71 Ų71146.9 Ų146.973%0.73280%0.802SS**  trans113.7136.614600000118.8
134G25.8Very low31.7Very low76 Ų76146 Ų14678%0.78480%0.8SS**  trans83.698.1153.200000115.3
135D28.3Very low32.2Very low151 Ų151145.1 Ų145.181%0.80779%0.792SS**  84.6123.466.1-148.928.7000114.6
136E31.7Very low32.1Very low156 Ų156150 Ų15073%0.72980%0.804SS**  trans69.7131.7160.8-45.2-145.9120.700125.3
137D29.9Very low32.4Very low131 Ų131153.8 Ų153.870%0.70181%0.806SS**  trans9391.1140.6-68.8-26.1000124.1
138R32.4Very low32.6Very low236 Ų236151.2 Ų151.289%0.89181%0.806SS**  trans56160.8133.8-81.9-175-179.51732.9121.5
139P32.5Very low32.8Very low115 Ų115157 Ų15775%0.74781%0.812SS**  -116.2135.5-62.931.4-13.6000110.8
140F26.7Very low32.8Very low210 Ų210156.4 Ų156.492%0.92180%0.804SS**  trans-79.3142.8170.3-87.3-91.5000110.9
141P34.2Very low32.7Very low111 Ų111158 Ų15872%0.72182%0.816SS**  trans-78.3136.1178.931.9-31.4000111.7
142D34.6Very low32.9Very low147 Ų147156.9 Ų156.979%0.78681%0.806SS**  trans25.5105.2154.3-71.1-22.7000118.8
143F32.9Very low33.9Very low206 Ų206157.2 Ų157.290%0.90481%0.808SS**  trans-143.197.5140.3-91.6-78000110.1
144D33.6Very low34.3Very low153 Ų153160.4 Ų160.482%0.81881%0.808SS**  trans172.5161.4141.2-89.6-17.6000107.9
145P45.3Very low35.1Very low99 Ų99165.9 Ų165.964%0.64381%0.814SS**  cis-140142.1-11.932.6-13.4000112.9
146W35.5Very low36.3Very low258 Ų258164.1 Ų164.198%0.97781%0.813SS**  trans-108.265.9174.7-65.5-14.4000114.3
147W40.4Very low37.4Very low247 Ų247163.9 Ų163.994%0.93681%0.812SS**  trans-110.990.6137.7-72.3-37000108.6
148T37.4Very low39Very low130 Ų130163.3 Ų163.380%0.79882%0.816SS**  trans168.6144.314420.70000108.4
149K31.4Very low40.4Very low188 Ų188155.5 Ų155.582%0.81779%0.791SS**  trans99.1118-178.4-64-169.4178.2-175.10113.6
150D30.3Very low42Very low128 Ų128152.9 Ų152.968%0.68477%0.773SS**  cis-144.213019.3-73.8-54.2000111.8E152D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.95Å
151C42.1Very low44.1Very low141 Ų141146.9 Ų146.995%0.95376%0.763SS**  trans-77.189.3147.1-76.20000106.8
152E34.1Very low46.1Very low153 Ų153146.6 Ų146.672%0.71576%0.756SS**  trans-119.4109.8154.3-80.2-163.6157.800108D150 N154D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.95Å; E152-N154 PolarHBondContact O-N 2.96Å; E152-N154 VanDerWaalsContact O-N 3.08Å
153Q46.9Very low48.1Very low194 Ų194139.8 Ų139.891%0.90772%0.719SS**  trans-52.9109.2162.5-72.7163.7-44.900108.1
154N35.2Very low50.3Low138 Ų138131.8 Ų131.874%0.73869%0.687SS**  trans-144.3130.5155.9-78.9-48000108.2E152E152-N154 PolarHBondContact O-N 2.96Å; E152-N154 VanDerWaalsContact O-N 3.08Å
155E41.8Very low52.3Low192 Ų192124.5 Ų124.590%0.89765%0.649SS**  trans-25.6126.6-170.7-63.4175.8159.700116.6E157E155-E157 PolarHBondContact O-N 3.18Å
156S53.1Low53.8Low114 Ų114120.2 Ų120.280%0.79762%0.621SS**PPolyproline II helixtrans-51.7123.1-176.8-34.60000111.8
157E55.6Low55.6Low151 Ų151109.5 Ų109.571%0.70659%0.587SS**PPolyproline II helixtrans-51.5133.2157.1-74.2-171.1156.200108.1E155 I159E155-E157 PolarHBondContact O-N 3.18Å; E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.09Å
158P62.7Low56.8Low119 Ų119103.5 Ų103.577%0.77357%0.569SS**PPolyproline II helixtrans-59.2121.5-177.522.9-32.1000109.2P160P158-P160 WeakPolarHBondContact O-CD 3.35Å
159I62.7Low58.2Low71 Ų71102.7 Ų102.736%0.36456%0.555SS.*PPolyproline II helixtrans-55.8124.1178.1-61162.7000107.4E157 A161 C163 T164 A167E157-I159 PolarHBondContact O-N 3.49Å; E157-I159 VanDerWaalsContact O-N 3.09Å; I159-A161 PolarHBondContact O-N 2.94Å; I159-C163 HydrophobicContact CG2-CB 3.95Å; I159-T164 HydrophobicContact CB-CG2 4.47Å; I159-T164 HydrophobicContact CG2-CG2 3.99Å; I159-A167 HydrophobicContact CD1-CB 3.86Å; I159-A167 HydrophobicContact CG1-CB 4.44Å; I159-A167 HydrophobicContact CG2-CB 3.96Å
160P66.5Low60.3Low60 Ų6099 Ų9939%0.3955%0.55SS.*PPolyproline II helixtrans-53.8138.1175.4-24.632.6000109.6P158 N162 C163 T164 H310P158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-N162 PolarHBondContact O-N 3.35Å; P160-C163 PolarHBondContact O-N 2.74Å; P160-T164 PolarHBondContact O-N 3.18Å; P160-H310 WeakPolarHBondContact CD-NE2 3.47Å
161A70.3Confident62.8Low85 Ų8594.2 Ų94.270%0.70253%0.525SS*.G310 helixtrans-49.9-34.3-17700000112.9I159 C163 T164I159-A161 PolarHBondContact O-N 2.94Å; A161-C163 PolarHBondContact O-N 3.41Å; A161-T164 PolarHBondContact O-N 3.13Å; A161-T164 PolarHBondContact O-OG1 3.08Å
162N75.1Confident64.8Low105 Ų10593 Ų9356%0.56150%0.503SS*.G310 helixtrans-69.6-26.2177.6-163.29.7000114.3P160 H330P160-N162 PolarHBondContact O-N 3.35Å; N162-H330 PolarHBondContact O-CD2 2.69Å
163C78.1Confident67.2Low4 Ų489.2 Ų89.23%0.02749%0.49CS..G310 helixtrans-94.8-3.6-179.2-58.80000113.2I159 P160 A161 G165 C166 A167 C307I159-C163 HydrophobicContact CG2-CB 3.95Å; P160-C163 PolarHBondContact O-N 2.74Å; A161-C163 PolarHBondContact O-N 3.41Å; C163-G165 VanDerWaalsContact C-N 3.28Å; C163-G165 PolarHBondContact O-N 3.24Å; C163-C166 PolarHBondContact O-N 3.11Å; C163-C166 PolarHBondContact O-SG 2.95Å; C163-A167 WeakPolarHBondContact O-CB 3.35Å; C163-A167 PolarHBondContact O-N 3.05Å; C163-C307 WeakPolarHBondContact CA-SG 3.22Å; C163-C307 HydrophobicContact CB-CB 3.69Å; C163-C307 WeakPolarHBondContact CB-SG 3.19Å; C163-C307 WeakPolarHBondContact SG-CA 3.33Å; C163-C307 WeakPolarHBondContact SG-CB 3.4Å; C163-C307 CovalentContact SG-SG 2.04Å; C163-C307 PolarHBondContact SG-SG 2.98Å
164T78.4Confident69Low37 Ų3780.7 Ų80.723%0.22745%0.451CS..Hα-helixtrans-59.8-37.2-179.155.60000112.8I159 P160 A161 C166 A167 Q168I159-T164 HydrophobicContact CB-CG2 4.47Å; I159-T164 HydrophobicContact CG2-CG2 3.99Å; P160-T164 PolarHBondContact O-N 3.18Å; A161-T164 PolarHBondContact O-N 3.13Å; A161-T164 PolarHBondContact O-OG1 3.08Å; T164-C166 VanDerWaalsContact C-N 3.26Å; T164-C166 PolarHBondContact O-N 2.98Å; T164-A167 PolarHBondContact O-N 2.99Å; T164-Q168 WeakPolarHBondContact O-CB 3.33Å; T164-Q168 VanDerWaalsContact O-CG 3.27Å; T164-Q168 WeakPolarHBondContact O-CG 3.4Å; T164-Q168 PolarHBondContact O-N 2.96Å; T164-Q168 VanDerWaalsContact O-N 3.08Å
165G74.6Confident71.3Confident1 Ų179 Ų791%0.0144%0.441CS..Hα-helixtrans-62.8-26.3179.200000114.8C163C163-G165 VanDerWaalsContact C-N 3.28Å; C163-G165 PolarHBondContact O-N 3.24Å
166C77.7Confident73.2Confident9 Ų972.5 Ų72.56%0.06141%0.412CS..Hα-helixtrans-99.6-25.4175.465.30000113.6C163 T164 C311 W331C163-C166 PolarHBondContact O-N 3.11Å; C163-C166 PolarHBondContact O-SG 2.95Å; T164-C166 VanDerWaalsContact C-N 3.26Å; T164-C166 PolarHBondContact O-N 2.98Å; C166-C311 HydrophobicContact CB-CB 3.65Å; C166-C311 WeakPolarHBondContact CB-SG 3.4Å; C166-C311 WeakPolarHBondContact SG-CB 3.28Å; C166-C311 CovalentContact SG-SG 2.03Å; C166-C311 PolarHBondContact SG-SG 3.45Å; C166-W331 HydrophobicContact CB-CD2 4.37Å; C166-W331 HydrophobicContact CB-CH2 3.93Å; C166-W331 HydrophobicContact CB-CZ2 3.33Å
167A73.6Confident74.3Confident32 Ų3276 Ų7626%0.26442%0.416SS..Hα-helixtrans-87.3-26.8-173.900000113.5I159 C163 T164 H310 C311I159-A167 HydrophobicContact CD1-CB 3.86Å; I159-A167 HydrophobicContact CG1-CB 4.44Å; I159-A167 HydrophobicContact CG2-CB 3.96Å; C163-A167 WeakPolarHBondContact O-CB 3.35Å; C163-A167 PolarHBondContact O-N 3.05Å; T164-A167 PolarHBondContact O-N 2.99Å; A167-H310 HydrophobicContact CB-CB 4.19Å; A167-C311 PolarHBondContact N-SG 2.84Å
168Q65.8Low75.4Confident121 Ų12174 Ų7457%0.56541%0.41SS*.SBendtrans-75-38.2-171.2-77.8-1794.400114.3T164T164-Q168 WeakPolarHBondContact O-CB 3.33Å; T164-Q168 VanDerWaalsContact O-CG 3.27Å; T164-Q168 WeakPolarHBondContact O-CG 3.4Å; T164-Q168 PolarHBondContact O-N 2.96Å; T164-Q168 VanDerWaalsContact O-N 3.08Å
169K66.8Low75.9Confident113 Ų11369.2 Ų69.249%0.49138%0.38SS..SBendtrans-149.9140.8-178.7-65.1-174.2-173.2165.80112.2
170P74.6Confident76.2Confident111 Ų11167.8 Ų67.872%0.72138%0.376SS*.PPolyproline II helixtrans-69.8168.6176.930.8-35.6000112.2K172P170-K172 PolarHBondContact O-N 3.29Å
171L82.4Confident76.3Confident28 Ų2876.1 Ų76.115%0.14740%0.4CS..PPolyproline II helixtrans-48.3123.7171.6174.763.1000111.2V173 P188 V190 L299 L301 V314 M316L171-V173 HydrophobicContact CD2-CG2 4.49Å; L171-V173 HydrophobicContact CG-CG2 4.33Å; L171-P188 HydrophobicContact CD1-CB 3.87Å; L171-P188 HydrophobicContact CD1-CG 4.35Å; L171-V190 HydrophobicContact CD1-CG2 4.11Å; L171-L299 HydrophobicContact CD2-CD2 4.49Å; L171-L301 HydrophobicContact CD1-CD1 3.9Å; L171-L301 HydrophobicContact CD2-CD1 4.26Å; L171-L301 HydrophobicContact CG-CD1 4.5Å; L171-V314 HydrophobicContact CB-CG1 4.12Å; L171-V314 HydrophobicContact CD2-CG1 3.7Å; L171-M316 HydrophobicContact CD2-CG 3.88Å; L171-M316 HydrophobicContact CD2-SD 3.57Å; L171-M316 VanDerWaalsContact CD2-SD 3.57Å
172K84.4Confident76.2Confident114 Ų11480.7 Ų80.750%0.49640%0.404SS..EExtended strand (participates in β ladder)trans-94.3119.8176.8-168.3176.6-170.4-1710109.3P170 M174 P188 L189 V190P170-K172 PolarHBondContact O-N 3.29Å; K172-M174 HydrophobicContact CD-CE 3.77Å; K172-M174 HydrophobicContact CG-CE 4.27Å; K172-P188 PolarHBondContact N-O 3.48Å; K172-L189 HydrophobicContact CB-CD1 3.75Å; K172-L189 HydrophobicContact CD-CD1 4Å; K172-L189 HydrophobicContact CG-CD1 3.92Å; K172-L189 CarbonylContact O-C 3.54Å; K172-L189 WeakPolarHBondContact O-CA 3.43Å; K172-L189 WeakPolarHBondContact O-CD1 3.49Å; K172-V190 PolarHBondContact O-N 2.82Å
173V84.7Confident75.9Confident75 Ų7577.5 Ų77.546%0.45539%0.385SS..EExtended strand (participates in β ladder)trans-104.9131.4171.2-174.50000107.8L171 V190 K192 M316L171-V173 HydrophobicContact CD2-CG2 4.49Å; L171-V173 HydrophobicContact CG-CG2 4.33Å; V173-V190 CarbonylContact C-O 3.59Å; V173-V190 WeakPolarHBondContact CA-O 3.41Å; V173-V190 HydrophobicContact CG2-CB 4.47Å; V173-K192 HydrophobicContact CG1-CG 3.93Å; V173-M316 HydrophobicContact CG2-SD 3.86Å
174M85.2Confident75.7Confident15 Ų1582.8 Ų82.87%0.07441%0.409CS..EExtended strand (participates in β ladder)trans-147.3160.7-177.657.7171.936.500112.5K172 D178 P180 L189 V190 I191 K192K172-M174 HydrophobicContact CD-CE 3.77Å; K172-M174 HydrophobicContact CG-CE 4.27Å; M174-D178 HydrophobicContact CB-CB 4.36Å; M174-D178 VanDerWaalsContact CE-O 3.31Å; M174-D178 WeakPolarHBondContact CE-O 3.44Å; M174-P180 WeakPolarHBondContact SD-CD 3.49Å; M174-L189 HydrophobicContact CE-CD1 4.02Å; M174-L189 HydrophobicContact CG-CD1 3.85Å; M174-L189 HydrophobicContact CG-CG 4.47Å; M174-L189 HydrophobicContact SD-CD1 3.68Å; M174-L189 HydrophobicContact SD-CD2 4.13Å; M174-L189 HydrophobicContact SD-CG 4.32Å; M174-V190 PolarHBondContact N-O 3.39Å; M174-I191 HydrophobicContact CG-CG1 4.19Å; M174-I191 CarbonylContact O-C 3.6Å; M174-I191 WeakPolarHBondContact O-CA 3.43Å; M174-I191 HydrophobicContact SD-CG1 4.47Å; M174-K192 PolarHBondContact O-N 2.94Å
175L83.9Confident75.4Confident102 Ų10286.7 Ų86.753%0.53442%0.42SS..EExtended strand (participates in β ladder)trans-82.6159.8171-65.1168.6000110.3E177 D178 K192L175-E177 PolarHBondContact O-N 3.23Å; L175-D178 PolarHBondContact O-N 2.82Å; L175-D178 VanDerWaalsContact O-N 3.08Å; L175-K192 HydrophobicContact CD2-CB 4.01Å
176L80.4Confident75.2Confident56 Ų5690.1 Ų90.129%0.29344%0.438SS..G310 helixtrans-54.6-35178-17861.4000113.2D178 A179 I191 K192 V255 L259L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.21Å; L176-A179 VanDerWaalsContact O-CB 3.26Å; L176-A179 WeakPolarHBondContact O-CB 3.35Å; L176-A179 PolarHBondContact O-N 3.46Å; L176-I191 HydrophobicContact CB-CG2 4.36Å; L176-I191 HydrophobicContact CD1-CG2 4.29Å; L176-K192 PolarHBondContact N-O 3.11Å; L176-V255 HydrophobicContact CD1-CG1 3.71Å; L176-V255 HydrophobicContact CD2-CG1 4.1Å; L176-L259 HydrophobicContact CD1-CD2 3.43Å; L176-L259 VanDerWaalsContact CD1-CD2 3.43Å; L176-L259 HydrophobicContact CD1-CG 3.96Å
177E77.3Confident75.2Confident188 Ų18891.1 Ų91.188%0.87944%0.441SS*.G310 helixtrans-69.2-28.8-179.6-59.5-173172.900113L175 A179L175-E177 PolarHBondContact O-N 3.23Å; E177-A179 VanDerWaalsContact C-N 3.29Å; E177-A179 PolarHBondContact O-N 2.05Å
178D79.2Confident75.8Confident107 Ų10789.7 Ų89.757%0.57243%0.429SS*.G310 helixtrans-90.88.9-179.5-63.3-44.4000112.9M174 L175 L176M174-D178 HydrophobicContact CB-CB 4.36Å; M174-D178 VanDerWaalsContact CE-O 3.31Å; M174-D178 WeakPolarHBondContact CE-O 3.44Å; L175-D178 PolarHBondContact O-N 2.82Å; L175-D178 VanDerWaalsContact O-N 3.08Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.21Å
179A72.2Confident76.9Confident19 Ų1984.8 Ų84.816%0.15741%0.407CS..  trans-60127.8-176.800000111.4L176 E177 L259 P260L176-A179 VanDerWaalsContact O-CB 3.26Å; L176-A179 WeakPolarHBondContact O-CB 3.35Å; L176-A179 PolarHBondContact O-N 3.46Å; E177-A179 VanDerWaalsContact C-N 3.29Å; E177-A179 PolarHBondContact O-N 2.05Å; A179-L259 HydrophobicContact CB-CD2 4.24Å; A179-P260 HydrophobicContact CB-CG 4.44Å
180P69.8Low77.9Confident42 Ų4279.4 Ų79.427%0.27338%0.384SS..  trans-70.7138-173.830.1-35.8000110.4M174 K182M174-P180 WeakPolarHBondContact SD-CD 3.49Å; P180-K182 WeakPolarHBondContact CB-O 3.41Å; P180-K182 PolarHBondContact O-N 2.77Å
181R67.8Low78.6Confident234 Ų23474.7 Ų74.788%0.88335%0.352SS*.SBendtrans-66.5-23.2176.7-63.9-175.6-178.6-176.10.6113.3
182K67.7Low78.8Confident181 Ų18175.1 Ų75.179%0.78735%0.353SS*.SBendtrans-120.5132.7175.9-71.2-174.4-180-179.20108.9P180P180-K182 WeakPolarHBondContact CB-O 3.41Å; P180-K182 PolarHBondContact O-N 2.77Å
183F69.9Low78.6Confident39 Ų3970.6 Ų70.617%0.17134%0.335CS..  trans-95.1118.2-178.9-177-110.9000112.2R185 F261 Y325F183-R185 HydrophobicContact CD1-CB 4.36Å; F183-R185 HydrophobicContact CD1-CG 3.54Å; F183-R185 HydrophobicContact CE1-CB 4.15Å; F183-R185 HydrophobicContact CE1-CG 3.55Å; F183-R185 PolarHBondContact O-N 3.35Å; F183-F261 HydrophobicContact CB-CB 3.89Å; F183-F261 HydrophobicContact CB-CD1 3.57Å; F183-F261 HydrophobicContact CB-CD2 3.21Å; F183-F261 HydrophobicContact CB-CE1 4Å; F183-F261 HydrophobicContact CB-CE2 3.64Å; F183-F261 HydrophobicContact CB-CG 3.2Å; F183-F261 HydrophobicContact CB-CZ 4.04Å; F183-F261 AromaticContact CD1-CD1 3.76Å; F183-F261 HydrophobicContact CD1-CD1 3.76Å; F183-F261 AromaticContact CD1-CD2 3.75Å; F183-F261 HydrophobicContact CD1-CD2 3.75Å; F183-F261 AromaticContact CD1-CE1 3.24Å; F183-F261 HydrophobicContact CD1-CE1 3.24Å; F183-F261 AromaticContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CG 4.03Å; F183-F261 AromaticContact CD1-CZ 2.93Å; F183-F261 HydrophobicContact CD1-CZ 2.93Å; F183-F261 AromaticContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD2 4.3Å; F183-F261 AromaticContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE2 4.37Å; F183-F261 AromaticContact CD2-CG 3.73Å; F183-F261 HydrophobicContact CD2-CG 3.73Å; F183-F261 AromaticContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CE1-CD1 4.01Å; F183-F261 AromaticContact CE1-CE1 3.1Å; F183-F261 HydrophobicContact CE1-CE1 3.1Å; F183-F261 AromaticContact CE1-CE2 3.7Å; F183-F261 HydrophobicContact CE1-CE2 3.7Å; F183-F261 AromaticContact CE1-CZ 2.91Å; F183-F261 HydrophobicContact CE1-CZ 2.91Å; F183-F261 AromaticContact CE2-CD1 3.42Å; F183-F261 HydrophobicContact CE2-CD1 3.42Å; F183-F261 VanDerWaalsContact CE2-CD1 3.42Å; F183-F261 AromaticContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CG 4.44Å; F183-F261 AromaticContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CG-CB 4.45Å; F183-F261 AromaticContact CG-CD1 3.19Å; F183-F261 HydrophobicContact CG-CD1 3.19Å; F183-F261 AromaticContact CG-CD2 3.53Å; F183-F261 HydrophobicContact CG-CD2 3.53Å; F183-F261 AromaticContact CG-CE1 3.2Å; F183-F261 HydrophobicContact CG-CE1 3.2Å; F183-F261 AromaticContact CG-CE2 3.5Å; F183-F261 HydrophobicContact CG-CE2 3.5Å; F183-F261 VanDerWaalsContact CG-CE2 3.5Å; F183-F261 AromaticContact CG-CG 3.41Å; F183-F261 HydrophobicContact CG-CG 3.41Å; F183-F261 VanDerWaalsContact CG-CG 3.41Å; F183-F261 AromaticContact CG-CZ 3.36Å; F183-F261 HydrophobicContact CG-CZ 3.36Å; F183-F261 AromaticContact CZ-CD1 3.78Å; F183-F261 HydrophobicContact CZ-CD1 3.78Å; F183-F261 AromaticContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE2 4.4Å; F183-F261 AromaticContact CZ-CZ 3.36Å; F183-F261 HydrophobicContact CZ-CZ 3.36Å; F183-Y325 HydrophobicContact CE1-CD1 4.02Å; F183-Y325 HydrophobicContact CE1-CD2 4.26Å; F183-Y325 AromaticContact CE1-CE1 3.5Å; F183-Y325 HydrophobicContact CE1-CE1 3.5Å; F183-Y325 AromaticContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CG 4.34Å; F183-Y325 AromaticContact CE1-CZ 3.36Å; F183-Y325 AromaticContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CE1 4.05Å; F183-Y325 AromaticContact CE2-CG 3.98Å; F183-Y325 HydrophobicContact CE2-CG 3.98Å; F183-Y325 AromaticContact CZ-CD1 3.11Å; F183-Y325 HydrophobicContact CZ-CD1 3.11Å; F183-Y325 AromaticContact CZ-CD2 3.57Å; F183-Y325 HydrophobicContact CZ-CD2 3.57Å; F183-Y325 AromaticContact CZ-CE1 3.08Å; F183-Y325 HydrophobicContact CZ-CE1 3.08Å; F183-Y325 AromaticContact CZ-CE2 3.57Å; F183-Y325 HydrophobicContact CZ-CE2 3.57Å; F183-Y325 AromaticContact CZ-CG 3.32Å; F183-Y325 HydrophobicContact CZ-CG 3.32Å; F183-Y325 AromaticContact CZ-CZ 3.3Å
184E72.9Confident77.9Confident114 Ų11470.2 Ų70.253%0.53335%0.346SS..  trans-92.696174-65.9179-179.500108.9L186 H187E184-L186 PolarHBondContact O-N 2.84Å; E184-H187 VanDerWaalsContact CB-ND1 3.31Å; E184-H187 WeakPolarHBondContact CB-ND1 3.42Å; E184-H187 PolarHBondContact O-N 3.37Å; E184-H187 IonicContact OE2-CE1 2.98Å; E184-H187 PolarHBondContact OE2-CE1 3.25Å; E184-H187 IonicContact OE2-ND1 2.83Å; E184-H187 PolarHBondContact OE2-ND1 2.79Å
185R72.6Confident77.3Confident119 Ų11976.7 Ų76.745%0.44937%0.374SS..THydrogen-bonded Turntrans-54.4-21.9-177-67.8-176.5175.3172.5-1.9115.1F183 H187 Y325 S327F183-R185 HydrophobicContact CD1-CB 4.36Å; F183-R185 HydrophobicContact CD1-CG 3.54Å; F183-R185 HydrophobicContact CE1-CB 4.15Å; F183-R185 HydrophobicContact CE1-CG 3.55Å; F183-R185 PolarHBondContact O-N 3.35Å; R185-H187 VanDerWaalsContact C-N 3.29Å; R185-Y325 WeakPolarHBondContact CB-OH 3.27Å; R185-Y325 VanDerWaalsContact O-CE1 3.3Å; R185-Y325 WeakPolarHBondContact O-CE1 3.3Å; R185-Y325 PolarHBondContact O-OH 3.24Å; R185-S327 WeakPolarHBondContact O-CB 3.41Å
186L69.8Low76.8Confident74 Ų7476 Ų7639%0.38738%0.375SS..THydrogen-bonded Turntrans-75.7-22.2-179.2-65.4173.1000112.3E184 H330E184-L186 PolarHBondContact O-N 2.84Å; L186-H330 WeakPolarHBondContact CD2-CE1 3.45Å
187H78.6Confident76.4Confident30 Ų3075.4 Ų75.414%0.13937%0.372CS..SBendtrans-97.9123.2-171.5-61.5109.7000111.4E184 R185 L189E184-H187 VanDerWaalsContact CB-ND1 3.31Å; E184-H187 WeakPolarHBondContact CB-ND1 3.42Å; E184-H187 PolarHBondContact O-N 3.37Å; E184-H187 IonicContact OE2-CE1 2.98Å; E184-H187 PolarHBondContact OE2-CE1 3.25Å; E184-H187 IonicContact OE2-ND1 2.83Å; E184-H187 PolarHBondContact OE2-ND1 2.79Å; R185-H187 VanDerWaalsContact C-N 3.29Å; H187-L189 PolarHBondContact O-N 3.48Å
188P86.1Confident76.3Confident1 Ų168.5 Ų68.51%0.00635%0.345CS..  trans-67.1135171.327.6-30.4000109.5L171 K172 L301 Y325 A326 W331L171-P188 HydrophobicContact CD1-CB 3.87Å; L171-P188 HydrophobicContact CD1-CG 4.35Å; K172-P188 PolarHBondContact N-O 3.48Å; P188-L301 HydrophobicContact CB-CD1 3.78Å; P188-L301 HydrophobicContact CG-CD1 4.32Å; P188-Y325 CarbonylContact C-O 3.56Å; P188-Y325 VanDerWaalsContact CA-O 3.26Å; P188-Y325 WeakPolarHBondContact CA-O 3.49Å; P188-A326 HydrophobicContact CB-CB 3.99Å; P188-W331 HydrophobicContact CG-CZ2 4.26Å
189L88.5Confident75.9Confident18 Ų1865.7 Ų65.79%0.09433%0.333CS..EExtended strand (participates in β ladder)trans-134.9137.6-172.6-17371.7000109.8K172 M174 H187 I191 G324 Y325K172-L189 HydrophobicContact CB-CD1 3.75Å; K172-L189 HydrophobicContact CD-CD1 4Å; K172-L189 HydrophobicContact CG-CD1 3.92Å; K172-L189 CarbonylContact O-C 3.54Å; K172-L189 WeakPolarHBondContact O-CA 3.43Å; K172-L189 WeakPolarHBondContact O-CD1 3.49Å; M174-L189 HydrophobicContact CE-CD1 4.02Å; M174-L189 HydrophobicContact CG-CD1 3.85Å; M174-L189 HydrophobicContact CG-CG 4.47Å; M174-L189 HydrophobicContact SD-CD1 3.68Å; M174-L189 HydrophobicContact SD-CD2 4.13Å; M174-L189 HydrophobicContact SD-CG 4.32Å; H187-L189 PolarHBondContact O-N 3.48Å; L189-I191 HydrophobicContact CD2-CD1 3.99Å; L189-I191 HydrophobicContact CD2-CG1 3.9Å; L189-I191 HydrophobicContact CG-CG1 4.14Å; L189-G324 CarbonylContact O-C 3.58Å; L189-G324 VanDerWaalsContact O-CA 3.31Å; L189-G324 WeakPolarHBondContact O-CA 3.37Å; L189-Y325 PolarHBondContact N-O 3.05Å; L189-Y325 PolarHBondContact O-N 3.19Å
190V88.9Confident76Confident1 Ų171 Ų711%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-124.7125.8166.5173.50000108.7L171 K172 V173 M174 F290 L299 M316 D322 I323L171-V190 HydrophobicContact CD1-CG2 4.11Å; K172-V190 PolarHBondContact O-N 2.82Å; V173-V190 CarbonylContact C-O 3.59Å; V173-V190 WeakPolarHBondContact CA-O 3.41Å; V173-V190 HydrophobicContact CG2-CB 4.47Å; M174-V190 PolarHBondContact N-O 3.39Å; V190-F290 HydrophobicContact CG2-CZ 4.4Å; V190-L299 HydrophobicContact CG2-CD2 3.78Å; V190-M316 HydrophobicContact CB-SD 4.34Å; V190-M316 HydrophobicContact CG1-CE 4.13Å; V190-M316 HydrophobicContact CG1-SD 4.46Å; V190-M316 HydrophobicContact CG2-SD 4.07Å; V190-D322 HydrophobicContact CG1-CB 4.49Å; V190-I323 CarbonylContact C-O 3.58Å; V190-I323 WeakPolarHBondContact CA-O 3.41Å
191I87.8Confident76.2Confident12 Ų1274.4 Ų74.46%0.06237%0.367CS..EExtended strand (participates in β ladder)trans-104.5113.5178.6-53.5177000107.8M174 L176 L189 T193 L259 I323M174-I191 HydrophobicContact CG-CG1 4.19Å; M174-I191 CarbonylContact O-C 3.6Å; M174-I191 WeakPolarHBondContact O-CA 3.43Å; M174-I191 HydrophobicContact SD-CG1 4.47Å; L176-I191 HydrophobicContact CB-CG2 4.36Å; L176-I191 HydrophobicContact CD1-CG2 4.29Å; L189-I191 HydrophobicContact CD2-CD1 3.99Å; L189-I191 HydrophobicContact CD2-CG1 3.9Å; L189-I191 HydrophobicContact CG-CG1 4.14Å; I191-T193 HydrophobicContact CG2-CG2 4.31Å; I191-T193 PolarHBondContact O-N 3.48Å; I191-L259 HydrophobicContact CD1-CD2 3.78Å; I191-I323 HydrophobicContact CB-CB 4.49Å; I191-I323 PolarHBondContact N-O 3.26Å; I191-I323 PolarHBondContact O-N 3.33Å
192K88.1Confident76.6Confident37 Ų3763.3 Ų63.316%0.16133%0.325CS..EExtended strand (participates in β ladder)trans-79.2110.8172.7-66.7-60.9-160.1160.90108.5V173 M174 L175 L176 E319 D322V173-K192 HydrophobicContact CG1-CG 3.93Å; M174-K192 PolarHBondContact O-N 2.94Å; L175-K192 HydrophobicContact CD2-CB 4.01Å; L176-K192 PolarHBondContact N-O 3.11Å; K192-E319 IonicContact NZ-OE2 2.79Å; K192-E319 PolarHBondContact NZ-OE2 2.94Å; K192-D322 VanDerWaalsContact CD-CG 3.42Å; K192-D322 WeakPolarHBondContact CD-OD1 3.15Å; K192-D322 VanDerWaalsContact CD-OD2 3.26Å; K192-D322 WeakPolarHBondContact CD-OD2 3.25Å; K192-D322 WeakPolarHBondContact CE-OD2 3.24Å; K192-D322 IonicContact NZ-OD1 2.69Å; K192-D322 IonicContact NZ-OD2 2.85Å; K192-D322 PolarHBondContact NZ-OD2 3.03Å
193T78.6Confident77Confident18 Ų1858.2 Ų58.211%0.1130%0.304CS..  trans-97.2-21.1-178.170.20000112.8I191 K195 V255 G321 I323I191-T193 HydrophobicContact CG2-CG2 4.31Å; I191-T193 PolarHBondContact O-N 3.48Å; T193-K195 PolarHBondContact O-N 3.47Å; T193-V255 HydrophobicContact CG2-CG1 3.87Å; T193-V255 HydrophobicContact CG2-CG2 4.24Å; T193-G321 VanDerWaalsContact CG2-O 3.32Å; T193-G321 WeakPolarHBondContact CG2-O 3.49Å; T193-G321 PolarHBondContact OG1-O 3.11Å; T193-I323 HydrophobicContact CG2-CD1 3.92Å; T193-I323 HydrophobicContact CG2-CG1 4.23Å
194G69.8Low77.2Confident67 Ų6762.3 Ų62.369%0.69132%0.324SS*.  trans619.1178.300000114.9P196G194-P196 VanDerWaalsContact O-CD 3.28Å; G194-P196 WeakPolarHBondContact O-CD 3.11Å
195K73.1Confident77.3Confident152 Ų15258.1 Ų58.166%0.66130%0.304SS*.  trans-113.686179.1-69.8-172.5-173.7-176.20108.9T193T193-K195 PolarHBondContact O-N 3.47Å
196P73.1Confident77.4Confident86 Ų8653.1 Ų53.156%0.55829%0.286SS*.PPolyproline II helixtrans-66.4142.9174.431.4-37000109.5G194 P320G194-P196 VanDerWaalsContact O-CD 3.28Å; G194-P196 WeakPolarHBondContact O-CD 3.11Å; P196-P320 HydrophobicContact CB-CB 3.81Å
197L73.7Confident77.6Confident44 Ų4450.5 Ų50.523%0.2327%0.274CS..PPolyproline II helixtrans-88.4144.3163.6-68.9167.2000108.3I202 L252 F253L197-I202 HydrophobicContact CB-CD1 3.8Å; L197-I202 HydrophobicContact CB-CG1 3.7Å; L197-I202 HydrophobicContact CD1-CG1 4.22Å; L197-L252 HydrophobicContact CD1-CD1 4.36Å; L197-L252 WeakPolarHBondContact CD1-O 3.08Å; L197-F253 HydrophobicContact CD1-CD1 3.55Å; L197-F253 HydrophobicContact CD1-CE1 3.55Å
198S74.9Confident77.4Confident44 Ų4453.4 Ų53.431%0.30829%0.287SS..PPolyproline II helixtrans-66.3147.1174.267.20000110.4E200 E201 I202S198-E200 PolarHBondContact O-N 2.92Å; S198-E201 PolarHBondContact N-OE2 3.4Å; S198-E201 PolarHBondContact O-N 3.12Å; S198-E201 VanDerWaalsContact OG-CB 3.24Å; S198-E201 WeakPolarHBondContact OG-CB 3.45Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 2.96Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.76Å; S198-I202 WeakPolarHBondContact O-CG1 3.12Å; S198-I202 PolarHBondContact O-N 3.46Å; S198-I202 VanDerWaalsContact O-N 3.1Å
199S70.4Confident76.8Confident47 Ų4754.4 Ų54.433%0.32929%0.291SS..Hα-helixtrans-55.8-36.3175.334.20000112.3Q203S199-Q203 VanDerWaalsContact O-CB 3.31Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.85Å
200E73.3Confident76Confident130 Ų13055.9 Ų55.961%0.60730%0.302SS*.Hα-helixtrans-69.4-44.5-178.8-6774.5-169.100111.7S198 Q203 H204S198-E200 PolarHBondContact O-N 2.92Å; E200-Q203 PolarHBondContact O-N 2.91Å; E200-H204 WeakPolarHBondContact O-CB 3.31Å; E200-H204 PolarHBondContact O-N 3.46Å
201E75.3Confident75.2Confident115 Ų11560.6 Ų60.654%0.53732%0.323SS..Hα-helixtrans-63.7-43.5176.1-75.9163.9154.900111.2S198 Q203 H204 F205S198-E201 PolarHBondContact N-OE2 3.4Å; S198-E201 PolarHBondContact O-N 3.12Å; S198-E201 VanDerWaalsContact OG-CB 3.24Å; S198-E201 WeakPolarHBondContact OG-CB 3.45Å; S198-E201 WeakPolarHBondContact OG-CG 3.24Å; S198-E201 PolarHBondContact OG-N 2.96Å; S198-E201 VanDerWaalsContact OG-N 3.16Å; S198-E201 PolarHBondContact OG-OE2 2.76Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; E201-H204 PolarHBondContact O-N 2.61Å; E201-F205 WeakPolarHBondContact O-CB 3.12Å; E201-F205 PolarHBondContact O-N 2.76Å
202I75.9Confident74.6Confident1 Ų160.1 Ų60.11%0.00532%0.321CS..Hα-helixtrans-61.6-46.8176-62.4162.9000109.5L197 S198 H204 F205 L206 G293 V344L197-I202 HydrophobicContact CB-CD1 3.8Å; L197-I202 HydrophobicContact CB-CG1 3.7Å; L197-I202 HydrophobicContact CD1-CG1 4.22Å; S198-I202 WeakPolarHBondContact O-CG1 3.12Å; S198-I202 PolarHBondContact O-N 3.46Å; S198-I202 VanDerWaalsContact O-N 3.1Å; I202-H204 PolarHBondContact O-N 2.85Å; I202-F205 PolarHBondContact O-N 3.19Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.04Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 3.42Å; I202-G293 VanDerWaalsContact CD1-C 3.47Å; I202-V344 HydrophobicContact CG2-CB 4.27Å; I202-V344 HydrophobicContact CG2-CG1 3.65Å; I202-V344 HydrophobicContact CG2-CG2 4.28Å
203Q75.2Confident73.9Confident74 Ų7459.2 Ų59.235%0.34632%0.318SS..Hα-helixtrans-61.1-44.3179.2-175.4174-30.300111.7S199 E200 E201 F205 L206 C207S199-Q203 VanDerWaalsContact O-CB 3.31Å; S199-Q203 WeakPolarHBondContact O-CB 3.32Å; S199-Q203 PolarHBondContact O-N 2.85Å; E200-Q203 PolarHBondContact O-N 2.91Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-F205 VanDerWaalsContact C-N 3.33Å; Q203-F205 PolarHBondContact O-N 3.36Å; Q203-L206 PolarHBondContact O-N 2.87Å; Q203-C207 WeakPolarHBondContact O-CB 3.32Å; Q203-C207 PolarHBondContact O-N 3.11Å; Q203-C207 PolarHBondContact O-SG 3.35Å
204H75.1Confident73.3Confident124 Ų12463.4 Ų63.457%0.57434%0.336SS*.Hα-helixtrans-61.9-41.2177.2-178.2-100.2000111.9E200 E201 I202 C207 Q208E200-H204 WeakPolarHBondContact O-CB 3.31Å; E200-H204 PolarHBondContact O-N 3.46Å; E201-H204 PolarHBondContact O-N 2.61Å; I202-H204 PolarHBondContact O-N 2.85Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.29Å; H204-Q208 PolarHBondContact CE1-NE2 2.89Å; H204-Q208 PolarHBondContact ND1-NE2 2.9Å; H204-Q208 PolarHBondContact O-N 2.95Å
205F74.6Confident72.5Confident27 Ų2762.6 Ų62.612%0.11832%0.316CS..Hα-helixtrans-68.6-43.4177.6-170.6-86.7000112.4E201 I202 Q203 C207 Q208 Y209 V248 E251 L252E201-F205 WeakPolarHBondContact O-CB 3.12Å; E201-F205 PolarHBondContact O-N 2.76Å; I202-F205 PolarHBondContact O-N 3.19Å; Q203-F205 VanDerWaalsContact C-N 3.33Å; Q203-F205 PolarHBondContact O-N 3.36Å; F205-C207 PolarHBondContact O-N 2.95Å; F205-Q208 WeakPolarHBondContact O-CB 3.44Å; F205-Q208 PolarHBondContact O-N 3.34Å; F205-Y209 AromaticContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CE2 4.4Å; F205-Y209 HydrophobicContact CD2-CE2 4.35Å; F205-Y209 AromaticContact CE1-CD2 3.45Å; F205-Y209 HydrophobicContact CE1-CD2 3.45Å; F205-Y209 VanDerWaalsContact CE1-CD2 3.45Å; F205-Y209 AromaticContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE2-CD2 4.17Å; F205-Y209 AromaticContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CG-CD2 4.48Å; F205-Y209 AromaticContact CZ-CD2 3.6Å; F205-Y209 HydrophobicContact CZ-CD2 3.6Å; F205-Y209 AromaticContact CZ-CE2 3.32Å; F205-Y209 HydrophobicContact CZ-CE2 3.32Å; F205-Y209 PolarHBondContact O-N 2.79Å; F205-V248 HydrophobicContact CE1-CG1 3.6Å; F205-V248 HydrophobicContact CZ-CG1 3.88Å; F205-E251 HydrophobicContact CE2-CB 3.72Å; F205-E251 HydrophobicContact CZ-CB 3.78Å; F205-L252 HydrophobicContact CB-CD1 3.98Å; F205-L252 HydrophobicContact CD1-CB 3.98Å; F205-L252 HydrophobicContact CD1-CD1 3.59Å; F205-L252 HydrophobicContact CD1-CD2 4.12Å; F205-L252 HydrophobicContact CD1-CG 4.09Å; F205-L252 HydrophobicContact CE1-CB 3.62Å; F205-L252 HydrophobicContact CE1-CD1 4.17Å; F205-L252 HydrophobicContact CE1-CD2 4.22Å; F205-L252 HydrophobicContact CE1-CG 4.2Å; F205-L252 HydrophobicContact CG-CD1 3.78Å; F205-L252 HydrophobicContact CZ-CB 3.93Å
206L74.3Confident71.6Confident14 Ų1457.6 Ų57.67%0.07329%0.294CS..Hα-helixtrans-59.2-36.3174.1-72.6-177.7000111.2I202 Q203 Q208 Y209 I213 C270 V344I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.04Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 WeakPolarHBondContact O-CG 3.18Å; I202-L206 PolarHBondContact O-N 3.42Å; Q203-L206 PolarHBondContact O-N 2.87Å; L206-Q208 VanDerWaalsContact C-N 3.26Å; L206-Q208 PolarHBondContact O-N 3.21Å; L206-Y209 CarbonylContact O-C 3.57Å; L206-Y209 PolarHBondContact O-N 3.42Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; L206-I213 HydrophobicContact CB-CD1 3.67Å; L206-I213 HydrophobicContact CB-CG1 4.16Å; L206-I213 HydrophobicContact CD2-CD1 4.46Å; L206-I213 HydrophobicContact CD2-CG1 3.99Å; L206-I213 HydrophobicContact CG-CD1 4.45Å; L206-I213 HydrophobicContact CG-CG1 4.46Å; L206-I213 WeakPolarHBondContact O-CD1 3.27Å; L206-C270 HydrophobicContact CD2-CB 3.76Å; L206-V344 HydrophobicContact CD1-CG1 4.31Å
207C75.1Confident70.3Confident19 Ų1960.2 Ų60.213%0.12831%0.309CS..Hα-helixtrans-66.3-23.2173.5-72.10000114.4Q203 H204 F205 C227Q203-C207 WeakPolarHBondContact O-CB 3.32Å; Q203-C207 PolarHBondContact O-N 3.11Å; Q203-C207 PolarHBondContact O-SG 3.35Å; H204-C207 WeakPolarHBondContact O-CB 3.42Å; H204-C207 PolarHBondContact O-N 3.29Å; F205-C207 PolarHBondContact O-N 2.95Å; C207-C227 WeakPolarHBondContact CA-SG 3.4Å; C207-C227 HydrophobicContact CB-CB 3.52Å; C207-C227 WeakPolarHBondContact CB-SG 3.49Å; C207-C227 WeakPolarHBondContact SG-CA 3.36Å; C207-C227 WeakPolarHBondContact SG-CB 3.32Å; C207-C227 CovalentContact SG-SG 2.03Å; C207-C227 PolarHBondContact SG-SG 3.3Å
208Q74.3Confident69.3Low90 Ų9062.2 Ų62.242%0.42132%0.317SS..Hα-helixtrans-78.8-27.7172.5-64.6177.517.400112.6H204 F205 L206 P210H204-Q208 PolarHBondContact CE1-NE2 2.89Å; H204-Q208 PolarHBondContact ND1-NE2 2.9Å; H204-Q208 PolarHBondContact O-N 2.95Å; F205-Q208 WeakPolarHBondContact O-CB 3.44Å; F205-Q208 PolarHBondContact O-N 3.34Å; L206-Q208 VanDerWaalsContact C-N 3.26Å; L206-Q208 PolarHBondContact O-N 3.21Å; Q208-P210 VanDerWaalsContact C-CD 3.47Å; Q208-P210 WeakPolarHBondContact O-CD 3.04Å
209Y73.6Confident68.1Low23 Ų2362.7 Ų62.79%0.0933%0.329CS..  trans-125.766.8-177.4-60-74.4000111.5F205 L206 E211 V212 L243 V248 E251F205-Y209 AromaticContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CD2 3.92Å; F205-Y209 HydrophobicContact CD1-CE2 4.4Å; F205-Y209 HydrophobicContact CD2-CE2 4.35Å; F205-Y209 AromaticContact CE1-CD2 3.45Å; F205-Y209 HydrophobicContact CE1-CD2 3.45Å; F205-Y209 VanDerWaalsContact CE1-CD2 3.45Å; F205-Y209 AromaticContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE1-CE2 3.73Å; F205-Y209 HydrophobicContact CE2-CD2 4.17Å; F205-Y209 AromaticContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CE2-CE2 3.66Å; F205-Y209 HydrophobicContact CG-CD2 4.48Å; F205-Y209 AromaticContact CZ-CD2 3.6Å; F205-Y209 HydrophobicContact CZ-CD2 3.6Å; F205-Y209 AromaticContact CZ-CE2 3.32Å; F205-Y209 HydrophobicContact CZ-CE2 3.32Å; F205-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 CarbonylContact O-C 3.57Å; L206-Y209 PolarHBondContact O-N 3.42Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; Y209-E211 PolarHBondContact O-N 3.08Å; Y209-E211 VanDerWaalsContact O-N 3.13Å; Y209-V212 PolarHBondContact O-N 3.06Å; Y209-L243 HydrophobicContact CD1-CD1 4.5Å; Y209-V248 HydrophobicContact CD1-CG2 4.12Å; Y209-V248 HydrophobicContact CD2-CG1 4.12Å; Y209-V248 HydrophobicContact CE1-CG2 3.95Å; Y209-V248 HydrophobicContact CE2-CG1 4.4Å; Y209-V248 HydrophobicContact CG-CG1 4.25Å; Y209-V248 HydrophobicContact CG-CG2 4.47Å; Y209-E251 PolarHBondContact OH-OE2 3.18Å
210P70.8Confident67.5Low49 Ų4967.5 Ų67.532%0.31834%0.344SS..G310 helixtrans-63.1-20.7-175.727.3-36000113.6Q208 V212 I213 K223Q208-P210 VanDerWaalsContact C-CD 3.47Å; Q208-P210 WeakPolarHBondContact O-CD 3.04Å; P210-V212 PolarHBondContact O-N 3.47Å; P210-I213 PolarHBondContact O-N 3.39Å; P210-K223 PolarHBondContact O-NZ 3.44Å
211E72.2Confident66.6Low99 Ų9967.4 Ų67.446%0.46334%0.342SS..G310 helixtrans-67.3-21.4178.7-5784.6176.200113.1Y209 I213Y209-E211 PolarHBondContact O-N 3.08Å; Y209-E211 VanDerWaalsContact O-N 3.13Å; E211-I213 VanDerWaalsContact C-N 3.34Å
212V74.8Confident66Low3 Ų363.7 Ų63.72%0.01833%0.331CS..G310 helixtrans-87.9-5.5-178.2-173.30000111.4Y209 P210 L243 L267 K269 C270Y209-V212 PolarHBondContact O-N 3.06Å; P210-V212 PolarHBondContact O-N 3.47Å; V212-L243 HydrophobicContact CG2-CD1 4.07Å; V212-L267 HydrophobicContact CG1-CD2 3.56Å; V212-L267 HydrophobicContact CG1-CG 3.74Å; V212-K269 CarbonylContact O-C 3.47Å; V212-K269 WeakPolarHBondContact O-CA 3.35Å; V212-C270 PolarHBondContact O-N 3.43Å
213I74.4Confident65.3Low17 Ų1765.7 Ų65.79%0.08734%0.339CS..BIsolated β-bridgetrans-104.7124.4-176.3-49.8165.8000111.2L206 P210 E211 F216 K223L206-I213 HydrophobicContact CB-CD1 3.67Å; L206-I213 HydrophobicContact CB-CG1 4.16Å; L206-I213 HydrophobicContact CD2-CD1 4.46Å; L206-I213 HydrophobicContact CD2-CG1 3.99Å; L206-I213 HydrophobicContact CG-CD1 4.45Å; L206-I213 HydrophobicContact CG-CG1 4.46Å; L206-I213 WeakPolarHBondContact O-CD1 3.27Å; P210-I213 PolarHBondContact O-N 3.39Å; E211-I213 VanDerWaalsContact C-N 3.34Å; I213-F216 HydrophobicContact CD1-CE2 4.29Å; I213-F216 HydrophobicContact CG2-CD2 3.74Å; I213-F216 HydrophobicContact CG2-CE2 3.67Å; I213-K223 PolarHBondContact O-NZ 3.02Å
214E65.9Low64.6Low106 Ų10663.7 Ų63.750%0.49533%0.329SS..  trans-100.8-31.8-177.2-161156-148.300115.8K269 F271E214-K269 HydrophobicContact CB-CD 3.92Å; E214-K269 HydrophobicContact CG-CD 4.2Å; E214-K269 IonicContact OE1-NZ 3.41Å; E214-K269 PolarHBondContact OE1-NZ 2.78Å; E214-K269 WeakPolarHBondContact OE2-CD 3.32Å; E214-K269 WeakPolarHBondContact OE2-CE 3.33Å; E214-K269 IonicContact OE2-NZ 3.24Å; E214-K269 PolarHBondContact OE2-NZ 2.89Å; E214-F271 HydrophobicContact CB-CD1 4.41Å; E214-F271 HydrophobicContact CB-CE1 3.88Å
215D52.5Low63.9Low50 Ų5063.6 Ų63.627%0.26732%0.323SS..  trans-116.349.6-156.9-140.416.6000114.3F271 K282D215-F271 HydrophobicContact CB-CD1 3.94Å; D215-K282 IonicContact OD2-NZ 3.94Å; D215-K282 PolarHBondContact OD2-NZ 3.36Å
216F53.6Low63.5Low47 Ų4766.3 Ų66.321%0.20633%0.333CS..  trans-90.5103.2157.7-75.5-73.4000107.7I213 E218 K223 L272I213-F216 HydrophobicContact CD1-CE2 4.29Å; I213-F216 HydrophobicContact CG2-CD2 3.74Å; I213-F216 HydrophobicContact CG2-CE2 3.67Å; F216-E218 HydrophobicContact CB-CB 4.13Å; F216-E218 HydrophobicContact CD1-CB 4.31Å; F216-E218 PolarHBondContact O-N 3.11Å; F216-K223 HydrophobicContact CD2-CB 4.39Å; F216-K223 HydrophobicContact CD2-CD 3.85Å; F216-K223 HydrophobicContact CD2-CG 3.85Å; F216-K223 HydrophobicContact CE2-CD 4.44Å; F216-K223 HydrophobicContact CE2-CG 4.12Å; F216-K223 HydrophobicContact CG-CG 4.48Å; F216-L272 HydrophobicContact CE1-CD2 3.89Å; F216-L272 HydrophobicContact CZ-CD2 3.88Å
217T46.9Very low63.2Low142 Ų14267.1 Ų67.187%0.87134%0.34SS*.  trans-60.2-12158.843.90000111.8
218E51.8Low62.7Low86 Ų8668.5 Ų68.540%0.40234%0.343SS..SBendtrans-72.2124.4168.1-78175.2-167.300111.2F216 A222F216-E218 HydrophobicContact CB-CB 4.13Å; F216-E218 HydrophobicContact CD1-CB 4.31Å; F216-E218 PolarHBondContact O-N 3.11Å; E218-A222 HydrophobicContact CB-CB 3.74Å; E218-A222 HydrophobicContact CG-CB 4.15Å
219G51.3Low61.8Low53 Ų5368.5 Ų68.555%0.54635%0.351SS..  trans-54.9155.2177.900000112.8F221 A222 K223G219-F221 CarbonylContact O-C 3.51Å; G219-F221 PolarHBondContact O-N 3.43Å; G219-A222 PolarHBondContact O-N 3.21Å; G219-K223 PolarHBondContact O-N 3.23Å
220F57.1Low60.8Low149 Ų14976.1 Ų76.165%0.65439%0.388SS*.Hα-helixtrans-39.4-39.1-175.5176.5-97.4000115.1W224F220-W224 PolarHBondContact O-N 2.85Å; F220-W224 VanDerWaalsContact O-N 3.09Å
221F54.9Low60Low127 Ų12781.2 Ų81.256%0.55740%0.401SS*.Hα-helixtrans-63.6-45176.9-72.7-78.2000113.7G219 K223 W224 W225 P234G219-F221 CarbonylContact O-C 3.51Å; G219-F221 PolarHBondContact O-N 3.43Å; F221-K223 VanDerWaalsContact C-N 3.35Å; F221-K223 PolarHBondContact O-N 3.15Å; F221-W224 WeakPolarHBondContact O-CB 3.49Å; F221-W224 PolarHBondContact O-N 3.42Å; F221-W224 VanDerWaalsContact O-N 3.14Å; F221-W225 PolarHBondContact O-N 3.48Å; F221-P234 HydrophobicContact CE1-CB 4.2Å
222A61Low58.9Low37 Ų3786.2 Ų86.231%0.30642%0.415SS..Hα-helixtrans-66.1-37.5179.400000111.8E218 G219 W224 W225 R226E218-A222 HydrophobicContact CB-CB 3.74Å; E218-A222 HydrophobicContact CG-CB 4.15Å; G219-A222 PolarHBondContact O-N 3.21Å; A222-W224 VanDerWaalsContact C-N 3.31Å; A222-W224 PolarHBondContact O-N 2.92Å; A222-W225 PolarHBondContact O-N 3.37Å; A222-R226 PolarHBondContact O-N 3.46Å; A222-R226 VanDerWaalsContact O-N 3.07Å
223K61.3Low57.6Low43 Ų4392.7 Ų92.719%0.18744%0.444CS..Hα-helixtrans-58.4-41.4169.5-175176.4179.6177.50112P210 I213 F216 G219 F221P210-K223 PolarHBondContact O-NZ 3.44Å; I213-K223 PolarHBondContact O-NZ 3.02Å; F216-K223 HydrophobicContact CD2-CB 4.39Å; F216-K223 HydrophobicContact CD2-CD 3.85Å; F216-K223 HydrophobicContact CD2-CG 3.85Å; F216-K223 HydrophobicContact CE2-CD 4.44Å; F216-K223 HydrophobicContact CE2-CG 4.12Å; F216-K223 HydrophobicContact CG-CG 4.48Å; G219-K223 PolarHBondContact O-N 3.23Å; F221-K223 VanDerWaalsContact C-N 3.35Å; F221-K223 PolarHBondContact O-N 3.15Å
224W61Low56.3Low33 Ų3395.5 Ų95.513%0.12546%0.463CS..Hα-helixtrans-70.7-43.7177.7-173.485.5000112.9F220 F221 A222 R226 C227 F228 R231 F233F220-W224 PolarHBondContact O-N 2.85Å; F220-W224 VanDerWaalsContact O-N 3.09Å; F221-W224 WeakPolarHBondContact O-CB 3.49Å; F221-W224 PolarHBondContact O-N 3.42Å; F221-W224 VanDerWaalsContact O-N 3.14Å; A222-W224 VanDerWaalsContact C-N 3.31Å; A222-W224 PolarHBondContact O-N 2.92Å; W224-R226 VanDerWaalsContact C-N 3.27Å; W224-R226 PolarHBondContact O-N 3.26Å; W224-C227 PolarHBondContact O-N 3.08Å; W224-C227 VanDerWaalsContact O-N 3.11Å; W224-F228 HydrophobicContact CZ2-CB 4.48Å; W224-F228 AromaticContact NE1-CD2 3.93Å; W224-F228 PolarHBondContact O-N 3.09Å; W224-R231 HydrophobicContact CH2-CB 4.16Å; W224-R231 WeakPolarHBondContact CH2-O 3.1Å; W224-R231 HydrophobicContact CZ2-CB 4.2Å; W224-R231 VanDerWaalsContact CZ3-O 3.27Å; W224-R231 WeakPolarHBondContact CZ3-O 3.29Å; W224-F233 WeakPolarHBondContact CH2-O 3.38Å; W224-F233 WeakPolarHBondContact CZ2-O 3.5Å
225W61.3Low55.7Low121 Ų12197.7 Ų97.746%0.45847%0.471SS..Hα-helixtrans-58-38176.2-80.3113.8000112.5F221 A222 C227 F228F221-W225 PolarHBondContact O-N 3.48Å; A222-W225 PolarHBondContact O-N 3.37Å; W225-C227 VanDerWaalsContact C-N 3.31Å; W225-C227 PolarHBondContact O-N 3.2Å; W225-F228 CarbonylContact O-C 3.59Å
226R65.6Low55.6Low84 Ų84100.1 Ų100.132%0.31749%0.49SS..Hα-helixtrans-68.3-29.4178.4-165.5171.9-172.1142.7-0.8113.3A222 W224A222-R226 PolarHBondContact O-N 3.46Å; A222-R226 VanDerWaalsContact O-N 3.07Å; W224-R226 VanDerWaalsContact C-N 3.27Å; W224-R226 PolarHBondContact O-N 3.26Å
227C68Low55.5Low32 Ų32104.4 Ų104.422%0.21651%0.506CS..Hα-helixtrans-91.8-25.6-179.9-70.80000113.7C207 W224 W225C207-C227 WeakPolarHBondContact CA-SG 3.4Å; C207-C227 HydrophobicContact CB-CB 3.52Å; C207-C227 WeakPolarHBondContact CB-SG 3.49Å; C207-C227 WeakPolarHBondContact SG-CA 3.36Å; C207-C227 WeakPolarHBondContact SG-CB 3.32Å; C207-C227 CovalentContact SG-SG 2.03Å; C207-C227 PolarHBondContact SG-SG 3.3Å; W224-C227 PolarHBondContact O-N 3.08Å; W224-C227 VanDerWaalsContact O-N 3.11Å; W225-C227 VanDerWaalsContact C-N 3.31Å; W225-C227 PolarHBondContact O-N 3.2Å
228F64.7Low55.3Low47 Ų47102.8 Ų102.821%0.20650%0.498CS..  trans-138.868.2-179-59.4-75.1000111.7W224 W225 E230 R231 Y237W224-F228 HydrophobicContact CZ2-CB 4.48Å; W224-F228 AromaticContact NE1-CD2 3.93Å; W224-F228 PolarHBondContact O-N 3.09Å; W225-F228 CarbonylContact O-C 3.59Å; F228-E230 PolarHBondContact O-N 2.88Å; F228-E230 VanDerWaalsContact O-N 3.16Å; F228-R231 HydrophobicContact CB-CB 4.17Å; F228-R231 PolarHBondContact O-N 2.73Å; F228-Y237 AromaticContact CE2-CE2 3.92Å; F228-Y237 HydrophobicContact CE2-CE2 3.92Å; F228-Y237 AromaticContact CZ-CE2 3.8Å; F228-Y237 HydrophobicContact CZ-CE2 3.8Å
229P55.1Low55.3Low91 Ų91108.2 Ų108.259%0.59151%0.514SS*.THydrogen-bonded Turntrans-61.6-24.9179.624-33.3000113.1
230E52.1Low55.3Low182 Ų182111.7 Ų111.785%0.8553%0.525SS*.THydrogen-bonded Turntrans-97.8-7.2-177.6-63-156172.500115.4F228F228-E230 PolarHBondContact O-N 2.88Å; F228-E230 VanDerWaalsContact O-N 3.16Å
231R54.8Low55.4Low156 Ų156112.7 Ų112.759%0.58953%0.525SS*.  trans-97.1131.6174.4-78.5179.4170.6171.8-2.5109.1W224 F228W224-R231 HydrophobicContact CH2-CB 4.16Å; W224-R231 WeakPolarHBondContact CH2-O 3.1Å; W224-R231 HydrophobicContact CZ2-CB 4.2Å; W224-R231 VanDerWaalsContact CZ3-O 3.27Å; W224-R231 WeakPolarHBondContact CZ3-O 3.29Å; F228-R231 HydrophobicContact CB-CB 4.17Å; F228-R231 PolarHBondContact O-N 2.73Å
232W48.9Very low55.6Low204 Ų204112.7 Ų112.777%0.77354%0.538SS*.  trans-98.52.9-174-88.662.6000114.8
233F48Very low56Low140 Ų140114 Ų11461%0.61454%0.539SS*.  trans-124.9127.7-173-81.5-83.4000114.8W224 F235W224-F233 WeakPolarHBondContact CH2-O 3.38Å; W224-F233 WeakPolarHBondContact CZ2-O 3.5Å; F233-F235 HydrophobicContact CB-CD2 3.71Å; F233-F235 HydrophobicContact CB-CE2 3.6Å; F233-F235 HydrophobicContact CD1-CE2 4.12Å; F233-F235 HydrophobicContact CD1-CZ 4.43Å; F233-F235 HydrophobicContact CG-CE2 4Å; F233-F235 PolarHBondContact O-N 3.3Å
234P47.5Very low57.1Low76 Ų76115.6 Ų115.649%0.49455%0.55SS..  trans-83.660.7-178.238.1-35.3000110F221F221-P234 HydrophobicContact CE1-CB 4.2Å
235F51.6Low58.2Low151 Ų151118.1 Ų118.166%0.66256%0.559SS**PPolyproline II helixtrans-78.1125.5167.5-67.5-68.4000108.2F233 Y237F233-F235 HydrophobicContact CB-CD2 3.71Å; F233-F235 HydrophobicContact CB-CE2 3.6Å; F233-F235 HydrophobicContact CD1-CE2 4.12Å; F233-F235 HydrophobicContact CD1-CZ 4.43Å; F233-F235 HydrophobicContact CG-CE2 4Å; F233-F235 PolarHBondContact O-N 3.3Å; F235-Y237 PolarHBondContact O-N 3.47Å
236P50.5Low59.3Low102 Ų102113.5 Ų113.566%0.66255%0.545SS*.PPolyproline II helixtrans-56.9132.8171.423.8-30.9000108P238P236-P238 VanDerWaalsContact O-CD 3.27Å; P236-P238 WeakPolarHBondContact O-CD 3.46Å; P236-P238 VanDerWaalsContact O-N 3.12Å
237Y51.3Low60.2Low137 Ų137114.1 Ų114.154%0.53755%0.552SS.*PPolyproline II helixtrans-52.6119.6178.5-124.1-97000108.7F228 F235 W239F228-Y237 AromaticContact CE2-CE2 3.92Å; F228-Y237 HydrophobicContact CE2-CE2 3.92Å; F228-Y237 AromaticContact CZ-CE2 3.8Å; F228-Y237 HydrophobicContact CZ-CE2 3.8Å; F235-Y237 PolarHBondContact O-N 3.47Å; Y237-W239 PolarHBondContact O-N 2.96Å
238P44.3Very low61Low108 Ų108112.8 Ų112.870%0.70154%0.543SS*.SBendtrans-75.29.4-171.7-16.429.7000114.9P236P236-P238 VanDerWaalsContact O-CD 3.27Å; P236-P238 WeakPolarHBondContact O-CD 3.46Å; P236-P238 VanDerWaalsContact O-N 3.12Å
239W50.7Low62Low199 Ų199110.6 Ų110.675%0.75453%0.533SS*.  trans-140.790.5-172-56.886.8000109.4Y237 R241Y237-W239 PolarHBondContact O-N 2.96Å; W239-R241 PolarHBondContact O-N 2.79Å
240T52.9Low63.5Low127 Ų127111.7 Ų111.778%0.77953%0.525SS*.  trans-58.490.3148.123.90000106.2
241R59Low65Low169 Ų169107 Ų10764%0.63850%0.504SS*.  trans-58.1139.4169.1-77.7-173.9179.4-178.51.8106.7W239 L243W239-R241 PolarHBondContact O-N 2.79Å; R241-L243 PolarHBondContact O-N 2.75Å
242P57.8Low66.2Low128 Ų128100 Ų10083%0.83148%0.478SS*.  trans-54.8113.6171.422.1-30.7000108N244P242-N244 PolarHBondContact O-N 3.02Å
243L70.8Confident67.9Low64 Ų6490.9 Ų90.934%0.33544%0.444SS..  trans-77.991.9-170.7-171.877.7000109.1Y209 V212 R241 R245 V248Y209-L243 HydrophobicContact CD1-CD1 4.5Å; V212-L243 HydrophobicContact CG2-CD1 4.07Å; R241-L243 PolarHBondContact O-N 2.75Å; L243-R245 HydrophobicContact CD2-CG 3.71Å; L243-R245 HydrophobicContact CG-CG 3.96Å; L243-R245 PolarHBondContact O-N 2.73Å; L243-V248 HydrophobicContact CD1-CG2 4.41Å
244N82.8Confident69.6Low77 Ų7787.5 Ų87.541%0.41244%0.436SS..  trans-84.286.8168.5-169.8-11.2000109.7P242 S246 Q247 V248P242-N244 PolarHBondContact O-N 3.02Å; N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.13Å; N244-S246 PolarHBondContact OD1-N 2.85Å; N244-S246 PolarHBondContact OD1-OG 2.87Å; N244-Q247 HydrophobicContact CB-CB 3.93Å; N244-Q247 WeakPolarHBondContact O-CA 3.35Å; N244-Q247 WeakPolarHBondContact O-CB 3.29Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 PolarHBondContact OD1-N 3.29Å; N244-V248 WeakPolarHBondContact O-CG2 3.4Å; N244-V248 PolarHBondContact O-N 2.92Å
245R84.2Confident71.3Confident85 Ų8585 Ų8532%0.32142%0.419SS..Hα-helixtrans-54-32-178-73.8177.3178.5147.4-1.1114.3L243 L249 L267 E353L243-R245 HydrophobicContact CD2-CG 3.71Å; L243-R245 HydrophobicContact CG-CG 3.96Å; L243-R245 PolarHBondContact O-N 2.73Å; R245-L249 WeakPolarHBondContact O-CB 3.2Å; R245-L249 PolarHBondContact O-N 2.87Å; R245-L249 VanDerWaalsContact O-N 3.11Å; R245-L267 VanDerWaalsContact CB-O 3.27Å; R245-L267 WeakPolarHBondContact CB-O 3.33Å; R245-L267 WeakPolarHBondContact CD-O 3.37Å; R245-L267 VanDerWaalsContact CG-O 3.25Å; R245-L267 WeakPolarHBondContact CG-O 3.48Å; R245-L267 PolarHBondContact O-N 2.69Å; R245-E353 IonicContact NH1-OE2 3.81Å; R245-E353 PolarHBondContact NH1-OE2 3.34Å
246S84.9Confident72.7Confident24 Ų2478.3 Ų78.317%0.16839%0.39CS..Hα-helixtrans-71.9-35.7176.472.80000112.4N244 R250 A265N244-S246 PolarHBondContact O-N 2.87Å; N244-S246 VanDerWaalsContact O-N 3.13Å; N244-S246 PolarHBondContact OD1-N 2.85Å; N244-S246 PolarHBondContact OD1-OG 2.87Å; S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 2.83Å; S246-A265 WeakPolarHBondContact CB-O 2.86Å
247Q84.1Confident74.1Confident97 Ų9777.5 Ų77.545%0.45338%0.383SS..Hα-helixtrans-71.2-45.2175.3-177.8179.3-1500110.8N244 L249 R250 E251N244-Q247 HydrophobicContact CB-CB 3.93Å; N244-Q247 WeakPolarHBondContact O-CA 3.35Å; N244-Q247 WeakPolarHBondContact O-CB 3.29Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 PolarHBondContact OD1-N 3.29Å; Q247-L249 PolarHBondContact O-N 2.89Å; Q247-R250 PolarHBondContact O-N 3.09Å; Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.27Å; Q247-E251 PolarHBondContact NE2-OE1 3.45Å; Q247-E251 PolarHBondContact O-N 3.24Å
248V84.4Confident75.4Confident5 Ų578 Ų783%0.0339%0.39CS..Hα-helixtrans-56.6-40.7176.1178.40000110.8F205 Y209 L243 N244 R250 E251 L252 L267F205-V248 HydrophobicContact CE1-CG1 3.6Å; F205-V248 HydrophobicContact CZ-CG1 3.88Å; Y209-V248 HydrophobicContact CD1-CG2 4.12Å; Y209-V248 HydrophobicContact CD2-CG1 4.12Å; Y209-V248 HydrophobicContact CE1-CG2 3.95Å; Y209-V248 HydrophobicContact CE2-CG1 4.4Å; Y209-V248 HydrophobicContact CG-CG1 4.25Å; Y209-V248 HydrophobicContact CG-CG2 4.47Å; L243-V248 HydrophobicContact CD1-CG2 4.41Å; N244-V248 WeakPolarHBondContact O-CG2 3.4Å; N244-V248 PolarHBondContact O-N 2.92Å; V248-R250 PolarHBondContact O-N 3.41Å; V248-E251 PolarHBondContact O-N 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.22Å; V248-L252 PolarHBondContact O-N 2.8Å; V248-L267 HydrophobicContact CG1-CD2 3.9Å
249L85.9Confident76.9Confident1 Ų173.5 Ų73.51%0.00536%0.36CS..Hα-helixtrans-58.5-45.6175.1-17568.2000112.6R245 Q247 F253 F256 A265 L267 I291R245-L249 WeakPolarHBondContact O-CB 3.2Å; R245-L249 PolarHBondContact O-N 2.87Å; R245-L249 VanDerWaalsContact O-N 3.11Å; Q247-L249 PolarHBondContact O-N 2.89Å; L249-F253 HydrophobicContact CD1-CD2 4Å; L249-F253 PolarHBondContact O-N 3.22Å; L249-F256 HydrophobicContact CD1-CD2 4.18Å; L249-F256 HydrophobicContact CD1-CE2 3.84Å; L249-F256 HydrophobicContact CD1-CZ 4.28Å; L249-F256 HydrophobicContact CD2-CD1 4.02Å; L249-F256 HydrophobicContact CD2-CD2 4.11Å; L249-F256 HydrophobicContact CD2-CE1 4.09Å; L249-F256 HydrophobicContact CD2-CE2 4.18Å; L249-F256 HydrophobicContact CD2-CG 4.03Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; L249-F256 HydrophobicContact CG-CD2 3.84Å; L249-F256 HydrophobicContact CG-CE2 3.98Å; L249-F256 HydrophobicContact CG-CG 4.17Å; L249-F256 HydrophobicContact CG-CZ 4.45Å; L249-A265 HydrophobicContact CD2-CB 3.4Å; L249-A265 VanDerWaalsContact CD2-CB 3.4Å; L249-L267 HydrophobicContact CB-CB 3.91Å; L249-L267 HydrophobicContact CD1-CB 3.97Å; L249-L267 HydrophobicContact CD1-CD1 4.07Å; L249-L267 HydrophobicContact CG-CB 4.49Å; L249-I291 HydrophobicContact CD1-CD1 3.63Å
250R86.2Confident77.8Confident113 Ų11366.4 Ų66.443%0.42634%0.34SS..Hα-helixtrans-72.9-31.2-177.9-66.9174.3-168.5172.75.2112.5S246 Q247 V248 F253 P254 F256 T257 K263S246-R250 WeakPolarHBondContact O-CG 3.25Å; S246-R250 PolarHBondContact O-N 2.83Å; Q247-R250 PolarHBondContact O-N 3.09Å; V248-R250 PolarHBondContact O-N 3.41Å; R250-F253 CarbonylContact O-C 3.56Å; R250-P254 WeakPolarHBondContact O-CA 3.44Å; R250-F256 HydrophobicContact CG-CB 4.12Å; R250-T257 HydrophobicContact CB-CG2 4.16Å; R250-T257 HydrophobicContact CG-CG2 4.39Å; R250-K263 PolarHBondContact NH2-O 2.8Å
251E84.3Confident78.6Confident85 Ų8562.3 Ų62.340%0.39731%0.311SS..Hα-helixtrans-70.1-44.3173.6-72.3177.9-167.100111.2F205 Y209 Q247 V248F205-E251 HydrophobicContact CE2-CB 3.72Å; F205-E251 HydrophobicContact CZ-CB 3.78Å; Y209-E251 PolarHBondContact OH-OE2 3.18Å; Q247-E251 HydrophobicContact CG-CG 4.47Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.27Å; Q247-E251 PolarHBondContact NE2-OE1 3.45Å; Q247-E251 PolarHBondContact O-N 3.24Å; V248-E251 PolarHBondContact O-N 3.29Å
252L80.5Confident79.2Confident9 Ų954.8 Ų54.85%0.04728%0.284CS..Hα-helixtrans-70.9-42.9178.5-17554.7000111.8L197 F205 V248 P254 L267L197-L252 HydrophobicContact CD1-CD1 4.36Å; L197-L252 WeakPolarHBondContact CD1-O 3.08Å; F205-L252 HydrophobicContact CB-CD1 3.98Å; F205-L252 HydrophobicContact CD1-CB 3.98Å; F205-L252 HydrophobicContact CD1-CD1 3.59Å; F205-L252 HydrophobicContact CD1-CD2 4.12Å; F205-L252 HydrophobicContact CD1-CG 4.09Å; F205-L252 HydrophobicContact CE1-CB 3.62Å; F205-L252 HydrophobicContact CE1-CD1 4.17Å; F205-L252 HydrophobicContact CE1-CD2 4.22Å; F205-L252 HydrophobicContact CE1-CG 4.2Å; F205-L252 HydrophobicContact CG-CD1 3.78Å; F205-L252 HydrophobicContact CZ-CB 3.93Å; V248-L252 WeakPolarHBondContact O-CB 3.22Å; V248-L252 PolarHBondContact O-N 2.8Å; L252-P254 WeakPolarHBondContact O-CD 3.26Å; L252-L267 HydrophobicContact CD2-CD2 4.29Å
253F85.1Confident80Confident11 Ų1156 Ų565%0.04828%0.276CS..  trans-124.588.6-177.8-58.9-74000109.9L197 L249 R250 V255 F256 I291 C346L197-F253 HydrophobicContact CD1-CD1 3.55Å; L197-F253 HydrophobicContact CD1-CE1 3.55Å; L249-F253 HydrophobicContact CD1-CD2 4Å; L249-F253 PolarHBondContact O-N 3.22Å; R250-F253 CarbonylContact O-C 3.56Å; F253-V255 PolarHBondContact O-N 3.35Å; F253-F256 HydrophobicContact CB-CD2 3.66Å; F253-F256 HydrophobicContact CB-CE2 3.82Å; F253-F256 HydrophobicContact CD2-CE2 4.49Å; F253-F256 HydrophobicContact CG-CE2 4.39Å; F253-F256 WeakPolarHBondContact O-CD2 3.48Å; F253-F256 PolarHBondContact O-N 2.8Å; F253-F256 VanDerWaalsContact O-N 3.11Å; F253-I291 HydrophobicContact CD1-CG2 3.57Å; F253-I291 HydrophobicContact CD2-CB 4.42Å; F253-I291 HydrophobicContact CD2-CD1 4.3Å; F253-I291 HydrophobicContact CD2-CG1 4.5Å; F253-I291 HydrophobicContact CD2-CG2 4.09Å; F253-I291 HydrophobicContact CE1-CB 4.31Å; F253-I291 HydrophobicContact CE1-CG2 3.34Å; F253-I291 HydrophobicContact CE2-CB 4.03Å; F253-I291 HydrophobicContact CE2-CD1 4.26Å; F253-I291 HydrophobicContact CE2-CG1 4.49Å; F253-I291 HydrophobicContact CE2-CG2 3.88Å; F253-I291 HydrophobicContact CG-CG2 3.94Å; F253-I291 HydrophobicContact CZ-CB 3.98Å; F253-I291 HydrophobicContact CZ-CG2 3.51Å; F253-C346 HydrophobicContact CE2-CB 3.88Å; F253-C346 HydrophobicContact CZ-CB 4.15Å
254P82.4Confident80.3Confident70 Ų7058 Ų5846%0.45529%0.287SS..THydrogen-bonded Turntrans-57.8-19.3-179.1-26.534.5000113.9R250 L252 F256 T257R250-P254 WeakPolarHBondContact O-CA 3.44Å; L252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-F256 PolarHBondContact O-N 3.33Å; P254-F256 VanDerWaalsContact O-N 3.12Å; P254-T257 PolarHBondContact O-N 2.79Å; P254-T257 PolarHBondContact O-OG1 3.31Å
255V83Confident80.4Confident22 Ų2254.5 Ų54.513%0.13327%0.269CS..Hα-helixtrans-55.2-31.6176.4-179.40000112L176 T193 F253 T257 H258 L259 I323L176-V255 HydrophobicContact CD1-CG1 3.71Å; L176-V255 HydrophobicContact CD2-CG1 4.1Å; T193-V255 HydrophobicContact CG2-CG1 3.87Å; T193-V255 HydrophobicContact CG2-CG2 4.24Å; F253-V255 PolarHBondContact O-N 3.35Å; V255-T257 PolarHBondContact O-N 2.82Å; V255-H258 PolarHBondContact O-N 2.8Å; V255-H258 VanDerWaalsContact O-N 3.08Å; V255-L259 HydrophobicContact CG1-CD1 3.75Å; V255-L259 HydrophobicContact CG1-CG 3.84Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.95Å; V255-I323 HydrophobicContact CB-CD1 4.06Å; V255-I323 HydrophobicContact CG1-CD1 3.72Å
256F80.9Confident80.4Confident12 Ų1250.8 Ų50.85%0.05326%0.256CS..Hα-helixtrans-68.2-15177.3-72.4-83.2000114.6L249 R250 F253 P254 H258 L259 A265 L289 I291 I323L249-F256 HydrophobicContact CD1-CD2 4.18Å; L249-F256 HydrophobicContact CD1-CE2 3.84Å; L249-F256 HydrophobicContact CD1-CZ 4.28Å; L249-F256 HydrophobicContact CD2-CD1 4.02Å; L249-F256 HydrophobicContact CD2-CD2 4.11Å; L249-F256 HydrophobicContact CD2-CE1 4.09Å; L249-F256 HydrophobicContact CD2-CE2 4.18Å; L249-F256 HydrophobicContact CD2-CG 4.03Å; L249-F256 HydrophobicContact CD2-CZ 4.17Å; L249-F256 HydrophobicContact CG-CD2 3.84Å; L249-F256 HydrophobicContact CG-CE2 3.98Å; L249-F256 HydrophobicContact CG-CG 4.17Å; L249-F256 HydrophobicContact CG-CZ 4.45Å; R250-F256 HydrophobicContact CG-CB 4.12Å; F253-F256 HydrophobicContact CB-CD2 3.66Å; F253-F256 HydrophobicContact CB-CE2 3.82Å; F253-F256 HydrophobicContact CD2-CE2 4.49Å; F253-F256 HydrophobicContact CG-CE2 4.39Å; F253-F256 WeakPolarHBondContact O-CD2 3.48Å; F253-F256 PolarHBondContact O-N 2.8Å; F253-F256 VanDerWaalsContact O-N 3.11Å; P254-F256 PolarHBondContact O-N 3.33Å; P254-F256 VanDerWaalsContact O-N 3.12Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-L259 HydrophobicContact CD1-CD1 4.09Å; F256-L259 HydrophobicContact CE1-CD1 4.26Å; F256-L259 HydrophobicContact CG-CD1 4.49Å; F256-A265 HydrophobicContact CD1-CB 4.21Å; F256-A265 HydrophobicContact CE1-CB 4.25Å; F256-L289 HydrophobicContact CE1-CD1 4.37Å; F256-L289 HydrophobicContact CE1-CD2 3.99Å; F256-L289 HydrophobicContact CZ-CD1 4.38Å; F256-L289 HydrophobicContact CZ-CD2 4.07Å; F256-I291 HydrophobicContact CE2-CD1 3.88Å; F256-I291 HydrophobicContact CE2-CG1 3.77Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.7Å; F256-I323 HydrophobicContact CE1-CG2 4.38Å; F256-I323 HydrophobicContact CE2-CD1 4Å; F256-I323 HydrophobicContact CZ-CD1 4.04Å; F256-I323 HydrophobicContact CZ-CG1 4.4Å; F256-I323 HydrophobicContact CZ-CG2 3.91Å
257T79.9Confident80.5Confident84 Ų8449.7 Ų49.752%0.51525%0.248SC..Hα-helixtrans-76.1-25171.762.80000112.2R250 P254 V255R250-T257 HydrophobicContact CB-CG2 4.16Å; R250-T257 HydrophobicContact CG-CG2 4.39Å; P254-T257 PolarHBondContact O-N 2.79Å; P254-T257 PolarHBondContact O-OG1 3.31Å; V255-T257 PolarHBondContact O-N 2.82Å
258H78.8Confident80.6Confident148 Ų14845.9 Ų45.969%0.68523%0.231SC*.Hα-helixtrans-101.4-22.5-177.6-59.5-64.4000112.7V255 F256V255-H258 PolarHBondContact O-N 2.8Å; V255-H258 VanDerWaalsContact O-N 3.08Å; F256-H258 VanDerWaalsContact C-N 3.31Å
259L77.2Confident80.6Confident14 Ų1448.3 Ų48.37%0.07324%0.241CC..  trans-66.6128.8177.8-81.4171.2000111.1L176 A179 I191 V255 F256 F261 I323L176-L259 HydrophobicContact CD1-CD2 3.43Å; L176-L259 VanDerWaalsContact CD1-CD2 3.43Å; L176-L259 HydrophobicContact CD1-CG 3.96Å; A179-L259 HydrophobicContact CB-CD2 4.24Å; I191-L259 HydrophobicContact CD1-CD2 3.78Å; V255-L259 HydrophobicContact CG1-CD1 3.75Å; V255-L259 HydrophobicContact CG1-CG 3.84Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.95Å; F256-L259 HydrophobicContact CD1-CD1 4.09Å; F256-L259 HydrophobicContact CE1-CD1 4.26Å; F256-L259 HydrophobicContact CG-CD1 4.49Å; L259-F261 PolarHBondContact O-N 3.28Å; L259-I323 HydrophobicContact CD1-CD1 3.71Å
260P68.9Low80.5Confident50 Ų5048.2 Ų48.233%0.32524%0.241SC..SBendtrans-67.4-18176.827.1-33.7000112.7A179A179-P260 HydrophobicContact CB-CG 4.44Å
261F70.4Confident80.3Confident41 Ų4144.1 Ų44.118%0.1823%0.226CC..SBendtrans-154.6147.3178.6172.5-81.6000109.9F183 L259 T350F183-F261 HydrophobicContact CB-CB 3.89Å; F183-F261 HydrophobicContact CB-CD1 3.57Å; F183-F261 HydrophobicContact CB-CD2 3.21Å; F183-F261 HydrophobicContact CB-CE1 4Å; F183-F261 HydrophobicContact CB-CE2 3.64Å; F183-F261 HydrophobicContact CB-CG 3.2Å; F183-F261 HydrophobicContact CB-CZ 4.04Å; F183-F261 AromaticContact CD1-CD1 3.76Å; F183-F261 HydrophobicContact CD1-CD1 3.76Å; F183-F261 AromaticContact CD1-CD2 3.75Å; F183-F261 HydrophobicContact CD1-CD2 3.75Å; F183-F261 AromaticContact CD1-CE1 3.24Å; F183-F261 HydrophobicContact CD1-CE1 3.24Å; F183-F261 AromaticContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CE2 3.19Å; F183-F261 HydrophobicContact CD1-CG 4.03Å; F183-F261 AromaticContact CD1-CZ 2.93Å; F183-F261 HydrophobicContact CD1-CZ 2.93Å; F183-F261 AromaticContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD1 3.08Å; F183-F261 HydrophobicContact CD2-CD2 4.3Å; F183-F261 AromaticContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE1 3.22Å; F183-F261 HydrophobicContact CD2-CE2 4.37Å; F183-F261 AromaticContact CD2-CG 3.73Å; F183-F261 HydrophobicContact CD2-CG 3.73Å; F183-F261 AromaticContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CD2-CZ 3.9Å; F183-F261 HydrophobicContact CE1-CD1 4.01Å; F183-F261 AromaticContact CE1-CE1 3.1Å; F183-F261 HydrophobicContact CE1-CE1 3.1Å; F183-F261 AromaticContact CE1-CE2 3.7Å; F183-F261 HydrophobicContact CE1-CE2 3.7Å; F183-F261 AromaticContact CE1-CZ 2.91Å; F183-F261 HydrophobicContact CE1-CZ 2.91Å; F183-F261 AromaticContact CE2-CD1 3.42Å; F183-F261 HydrophobicContact CE2-CD1 3.42Å; F183-F261 VanDerWaalsContact CE2-CD1 3.42Å; F183-F261 AromaticContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CE1 3.12Å; F183-F261 HydrophobicContact CE2-CG 4.44Å; F183-F261 AromaticContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CE2-CZ 3.91Å; F183-F261 HydrophobicContact CG-CB 4.45Å; F183-F261 AromaticContact CG-CD1 3.19Å; F183-F261 HydrophobicContact CG-CD1 3.19Å; F183-F261 AromaticContact CG-CD2 3.53Å; F183-F261 HydrophobicContact CG-CD2 3.53Å; F183-F261 AromaticContact CG-CE1 3.2Å; F183-F261 HydrophobicContact CG-CE1 3.2Å; F183-F261 AromaticContact CG-CE2 3.5Å; F183-F261 HydrophobicContact CG-CE2 3.5Å; F183-F261 VanDerWaalsContact CG-CE2 3.5Å; F183-F261 AromaticContact CG-CG 3.41Å; F183-F261 HydrophobicContact CG-CG 3.41Å; F183-F261 VanDerWaalsContact CG-CG 3.41Å; F183-F261 AromaticContact CG-CZ 3.36Å; F183-F261 HydrophobicContact CG-CZ 3.36Å; F183-F261 AromaticContact CZ-CD1 3.78Å; F183-F261 HydrophobicContact CZ-CD1 3.78Å; F183-F261 AromaticContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE1 2.96Å; F183-F261 HydrophobicContact CZ-CE2 4.4Å; F183-F261 AromaticContact CZ-CZ 3.36Å; F183-F261 HydrophobicContact CZ-CZ 3.36Å; L259-F261 PolarHBondContact O-N 3.28Å; F261-T350 HydrophobicContact CE1-CG2 4.24Å; F261-T350 HydrophobicContact CZ-CG2 3.96Å
262P70.6Confident80.1Confident11 Ų1141.2 Ų41.27%0.07121%0.213CC..  cis-81.8129.3-2.84.310.4000111.9D264 A265 L289 T350P262-D264 VanDerWaalsContact C-N 3.35Å; P262-A265 HydrophobicContact CB-CB 3.83Å; P262-A265 HydrophobicContact CG-CB 3.83Å; P262-L289 HydrophobicContact CG-CD1 4.39Å; P262-L289 HydrophobicContact CG-CD2 4.35Å; P262-T350 HydrophobicContact CB-CG2 4Å; P262-T350 HydrophobicContact CG-CG2 3.71Å
263K73.9Confident79.9Confident153 Ų15341.3 Ų41.367%0.66521%0.214SC*.THydrogen-bonded Turntrans-70-35.6176.6-67.3-172.9177.8-176.60112.3R250 A265R250-K263 PolarHBondContact NH2-O 2.8Å; K263-A265 VanDerWaalsContact C-N 3.33Å
264D78.6Confident79.3Confident105 Ų10545.8 Ų45.856%0.56124%0.235SC*.THydrogen-bonded Turntrans-99.827.4-178.3-50-45.3000111.7P262 S266 F351 S352P262-D264 VanDerWaalsContact C-N 3.35Å; D264-S266 PolarHBondContact O-N 2.98Å; D264-F351 CarbonylContact O-C 3.53Å; D264-S352 PolarHBondContact O-N 2.93Å
265A83.1Confident78.5Confident4 Ų444.1 Ų44.13%0.03322%0.223CC..  trans-66130.7176.200000110.4S246 L249 F256 P262 K263 L289 T349S246-A265 WeakPolarHBondContact CB-O 2.86Å; L249-A265 HydrophobicContact CD2-CB 3.4Å; L249-A265 VanDerWaalsContact CD2-CB 3.4Å; F256-A265 HydrophobicContact CD1-CB 4.21Å; F256-A265 HydrophobicContact CE1-CB 4.25Å; P262-A265 HydrophobicContact CB-CB 3.83Å; P262-A265 HydrophobicContact CG-CB 3.83Å; K263-A265 VanDerWaalsContact C-N 3.33Å; A265-L289 HydrophobicContact CB-CD2 4.01Å; A265-T349 CarbonylContact C-O 3.56Å; A265-T349 VanDerWaalsContact CA-O 3.29Å; A265-T349 WeakPolarHBondContact CA-O 3.49Å
266S86.1Confident77.6Confident7 Ų749.6 Ų49.65%0.04925%0.248CC..EExtended strand (participates in β ladder)trans-125.3137.2171.152.10000111.2D264 N268 G348 T349 F351D264-S266 PolarHBondContact O-N 2.98Å; S266-N268 PolarHBondContact O-N 2.78Å; S266-G348 CarbonylContact O-C 3.59Å; S266-G348 WeakPolarHBondContact O-CA 3.2Å; S266-T349 PolarHBondContact N-O 3.27Å; S266-T349 PolarHBondContact O-N 2.6Å; S266-T349 PolarHBondContact OG-OG1 3.31Å; S266-F351 PolarHBondContact OG-O 3.36Å
267L86.1Confident76.4Confident2 Ų255.5 Ų55.51%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-73.6121.2173.7-176.962.6000109.4V212 R245 V248 L249 L252 C346V212-L267 HydrophobicContact CG1-CD2 3.56Å; V212-L267 HydrophobicContact CG1-CG 3.74Å; R245-L267 VanDerWaalsContact CB-O 3.27Å; R245-L267 WeakPolarHBondContact CB-O 3.33Å; R245-L267 WeakPolarHBondContact CD-O 3.37Å; R245-L267 VanDerWaalsContact CG-O 3.25Å; R245-L267 WeakPolarHBondContact CG-O 3.48Å; R245-L267 PolarHBondContact O-N 2.69Å; V248-L267 HydrophobicContact CG1-CD2 3.9Å; L249-L267 HydrophobicContact CB-CB 3.91Å; L249-L267 HydrophobicContact CD1-CB 3.97Å; L249-L267 HydrophobicContact CD1-CD1 4.07Å; L249-L267 HydrophobicContact CG-CB 4.49Å; L252-L267 HydrophobicContact CD2-CD2 4.29Å; L267-C346 HydrophobicContact CD1-CB 3.67Å
268N85.4Confident75.2Confident16 Ų1656.6 Ų56.69%0.08629%0.294CS..EExtended strand (participates in β ladder)trans-84.2-69.9175.6-179.531.1000108.6S266 R287 D347S266-N268 PolarHBondContact O-N 2.78Å; N268-R287 PolarHBondContact ND2-NE 2.92Å; N268-D347 WeakPolarHBondContact CA-O 3.06Å; N268-D347 WeakPolarHBondContact CB-O 3.43Å; N268-D347 PolarHBondContact N-O 3.09Å; N268-D347 PolarHBondContact ND2-OD2 3.37Å
269K84.9Confident73.6Confident56 Ų5657.1 Ų57.124%0.24331%0.307CS..EExtended strand (participates in β ladder)trans-150.2151.9-175.4-61.6-178.5-170.4173.40112.2V212 E214 F271 C346 D347V212-K269 CarbonylContact O-C 3.47Å; V212-K269 WeakPolarHBondContact O-CA 3.35Å; E214-K269 HydrophobicContact CB-CD 3.92Å; E214-K269 HydrophobicContact CG-CD 4.2Å; E214-K269 IonicContact OE1-NZ 3.41Å; E214-K269 PolarHBondContact OE1-NZ 2.78Å; E214-K269 WeakPolarHBondContact OE2-CD 3.32Å; E214-K269 WeakPolarHBondContact OE2-CE 3.33Å; E214-K269 IonicContact OE2-NZ 3.24Å; E214-K269 PolarHBondContact OE2-NZ 2.89Å; K269-F271 HydrophobicContact CB-CE2 4.26Å; K269-F271 HydrophobicContact CB-CZ 4.14Å; K269-C346 CarbonylContact O-C 3.4Å; K269-D347 PolarHBondContact N-O 3.46Å; K269-D347 VanDerWaalsContact N-O 3.09Å; K269-D347 WeakPolarHBondContact O-CA 3.04Å; K269-D347 PolarHBondContact O-N 2.86Å
270C84.8Confident72.5Confident0 Ų059.1 Ų59.10%033%0.331CS..EExtended strand (participates in β ladder)trans-114.4140.3171.8-60.70000110.8L206 V212 I345 C346L206-C270 HydrophobicContact CD2-CB 3.76Å; V212-C270 PolarHBondContact O-N 3.43Å; C270-I345 CarbonylContact C-O 3.57Å; C270-I345 WeakPolarHBondContact CA-O 3.27Å; C270-C346 HydrophobicContact CB-CB 4.17Å; C270-C346 WeakPolarHBondContact CB-SG 3.06Å; C270-C346 WeakPolarHBondContact SG-CB 3.26Å; C270-C346 CovalentContact SG-SG 2.05Å; C270-C346 PolarHBondContact SG-SG 3.4Å
271F81.3Confident72Confident26 Ų2659.3 Ų59.311%0.11433%0.333CS..EExtended strand (participates in β ladder)trans-116.2132.4-177.3-54.1-88.6000109E214 D215 K269 L273 V344 I345 D347E214-F271 HydrophobicContact CB-CD1 4.41Å; E214-F271 HydrophobicContact CB-CE1 3.88Å; D215-F271 HydrophobicContact CB-CD1 3.94Å; K269-F271 HydrophobicContact CB-CE2 4.26Å; K269-F271 HydrophobicContact CB-CZ 4.14Å; F271-L273 HydrophobicContact CB-CD2 4.08Å; F271-L273 HydrophobicContact CB-CG 4.22Å; F271-V344 WeakPolarHBondContact O-CA 3.32Å; F271-I345 HydrophobicContact CB-CG2 3.86Å; F271-I345 HydrophobicContact CD2-CG2 4.36Å; F271-I345 PolarHBondContact N-O 2.88Å; F271-I345 PolarHBondContact O-N 3.28Å; F271-D347 HydrophobicContact CE2-CB 3.78Å
272L79.7Confident72Confident25 Ų2563.1 Ų63.113%0.13135%0.35CS..EExtended strand (participates in β ladder)trans-105.3104.9170.6177.270.3000107.7F216 P342 L343 V344F216-L272 HydrophobicContact CE1-CD2 3.89Å; F216-L272 HydrophobicContact CZ-CD2 3.88Å; L272-P342 HydrophobicContact CD1-CB 4.04Å; L272-L343 CarbonylContact C-O 3.18Å; L272-L343 WeakPolarHBondContact CA-O 3.45Å; L272-V344 HydrophobicContact CD1-CG2 3.54Å
273L76.3Confident72.4Confident10 Ų1067.3 Ų67.35%0.05237%0.37CS..EExtended strand (participates in β ladder)trans-103.3121.4-174.5-54.2178.2000109.3F271 P275 H284 L343 I345F271-L273 HydrophobicContact CB-CD2 4.08Å; F271-L273 HydrophobicContact CB-CG 4.22Å; L273-P275 WeakPolarHBondContact O-CD 3.03Å; L273-H284 HydrophobicContact CD1-CB 4.26Å; L273-H284 VanDerWaalsContact CD1-ND1 3.32Å; L273-H284 WeakPolarHBondContact CD1-ND1 3.33Å; L273-H284 VanDerWaalsContact CD2-CE1 3.44Å; L273-H284 WeakPolarHBondContact CD2-CE1 3.26Å; L273-H284 WeakPolarHBondContact CD2-NE2 3.16Å; L273-L343 HydrophobicContact CB-CB 4.21Å; L273-L343 HydrophobicContact CD1-CD2 4.1Å; L273-L343 PolarHBondContact N-O 3.34Å; L273-L343 PolarHBondContact O-N 2.95Å; L273-I345 HydrophobicContact CD1-CG2 3.89Å; L273-I345 HydrophobicContact CG-CG2 4.42Å
274H72.2Confident72.8Confident106 Ų10661.1 Ų61.149%0.49134%0.343SS..PPolyproline II helixtrans-92.2116.2170.6-64.679000107.4E276H274-E276 PolarHBondContact O-N 2.94Å
275P67Low73.3Confident34 Ų3462 Ų6222%0.22134%0.344CS..PPolyproline II helixtrans-62.1123.2179.222.2-29.3000109.7L273 A337 G339 Q341L273-P275 WeakPolarHBondContact O-CD 3.03Å; P275-A337 HydrophobicContact CB-CB 4.3Å; P275-G339 VanDerWaalsContact CB-O 3.29Å; P275-G339 WeakPolarHBondContact CB-O 3.46Å; P275-G339 WeakPolarHBondContact CG-O 3.31Å; P275-Q341 VanDerWaalsContact CD-O 3.32Å; P275-Q341 WeakPolarHBondContact CD-O 3.28Å; P275-Q341 WeakPolarHBondContact CG-O 3.46Å
276E63.6Low73.5Confident138 Ų13862.1 Ų62.165%0.64534%0.344SS*.PPolyproline II helixtrans-72.4139.4173.2-71.7-179.6-175.400109.6H274 V278H274-E276 PolarHBondContact O-N 2.94Å; E276-V278 PolarHBondContact O-N 2.83Å; E276-V278 VanDerWaalsContact O-N 3.09Å
277P55.1Low73.5Confident135 Ų13566.7 Ų66.788%0.87736%0.36SS*.SBendtrans-70-4.9-175.226.8-34.2000114.4
278V54.2Low73.5Confident108 Ų10867.3 Ų67.366%0.65536%0.363SS*.SBendtrans-103.8137.1-177.2-170.10000110E276 G280E276-V278 PolarHBondContact O-N 2.83Å; E276-V278 VanDerWaalsContact O-N 3.09Å; V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 2.92Å
279V46.8Very low73.7Confident158 Ų15866.7 Ų66.796%0.95836%0.36SS*.SBendtrans-64.283.5180-176.80000110.1
280G53.6Low74Confident57 Ų5764 Ų6459%0.58835%0.349SS*.  trans-173.641.3-17900000108.7V278 K282V278-G280 VanDerWaalsContact C-N 3.25Å; V278-G280 PolarHBondContact O-N 2.92Å; G280-K282 PolarHBondContact O-N 2.83Å; G280-K282 VanDerWaalsContact O-N 3.09Å
281S58.6Low74.3Confident53 Ų5364.1 Ų64.137%0.37135%0.349SS..  trans-53.3114.7-17450.50000110.8M283 I336S281-M283 PolarHBondContact O-N 3.49Å; S281-I336 VanDerWaalsContact CB-CG2 3.43Å; S281-I336 WeakPolarHBondContact OG-CG2 3.31Å
282K70.1Confident74.7Confident121 Ų12162.9 Ų62.953%0.52634%0.343SS..  trans-50.1111.8173.3-174.2-177.8172.6-156.50108.8D215 G280 H284D215-K282 IonicContact OD2-NZ 3.94Å; D215-K282 PolarHBondContact OD2-NZ 3.36Å; G280-K282 PolarHBondContact O-N 2.83Å; G280-K282 VanDerWaalsContact O-N 3.09Å; K282-H284 WeakPolarHBondContact CD-NE2 3.32Å; K282-H284 WeakPolarHBondContact CE-NE2 3.28Å; K282-H284 PolarHBondContact NZ-NE2 3.48Å; K282-H284 PolarHBondContact O-CE1 3.01Å; K282-H284 PolarHBondContact O-ND1 2.98Å
283M79.4Confident74.9Confident99 Ų9961.7 Ų61.749%0.48834%0.337SS..EExtended strand (participates in β ladder)trans-75.1128.2175.1-60.3-173.1176.300108.3S281 Y334 I336S281-M283 PolarHBondContact O-N 3.49Å; M283-Y334 HydrophobicContact CB-CD1 4.11Å; M283-I336 HydrophobicContact CE-CD1 3.87Å; M283-I336 HydrophobicContact CG-CD1 4.17Å; M283-I336 HydrophobicContact CG-CG1 4.04Å; M283-I336 HydrophobicContact SD-CD1 4.42Å
284H82.8Confident75.4Confident24 Ų2461.8 Ų61.811%0.11134%0.339CS..EExtended strand (participates in β ladder)trans-103.3119.2176.6-67.276.5000109.3L273 K282 M286 Y334 I335L273-H284 HydrophobicContact CD1-CB 4.26Å; L273-H284 VanDerWaalsContact CD1-ND1 3.32Å; L273-H284 WeakPolarHBondContact CD1-ND1 3.33Å; L273-H284 VanDerWaalsContact CD2-CE1 3.44Å; L273-H284 WeakPolarHBondContact CD2-CE1 3.26Å; L273-H284 WeakPolarHBondContact CD2-NE2 3.16Å; K282-H284 WeakPolarHBondContact CD-NE2 3.32Å; K282-H284 WeakPolarHBondContact CE-NE2 3.28Å; K282-H284 PolarHBondContact NZ-NE2 3.48Å; K282-H284 PolarHBondContact O-CE1 3.01Å; K282-H284 PolarHBondContact O-ND1 2.98Å; H284-M286 HydrophobicContact CB-CE 3.69Å; H284-Y334 WeakPolarHBondContact O-CA 3.44Å; H284-I335 PolarHBondContact N-O 3.36Å; H284-I335 PolarHBondContact O-N 2.94Å
285E87.2Confident75.9Confident123 Ų12356.9 Ų56.958%0.57532%0.317SS*.EExtended strand (participates in β ladder)trans-77128.3176.3-169.2166.516700109.6V333 Y334E285-V333 WeakPolarHBondContact CA-O 3.2Å; E285-Y334 HydrophobicContact CB-CD1 4.1Å; E285-Y334 HydrophobicContact CB-CE1 3.77Å; E285-Y334 HydrophobicContact CG-CD1 4.46Å; E285-Y334 HydrophobicContact CG-CE1 3.92Å; E285-Y334 PolarHBondContact OE2-OH 2.78Å
286M87.7Confident76.7Confident7 Ų761.2 Ų61.23%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-104.6160.6175.8-58.7-68.8143.300110.2H284 F290 V333 I335 I345 D347H284-M286 HydrophobicContact CB-CE 3.69Å; M286-F290 HydrophobicContact CB-CB 4.33Å; M286-F290 HydrophobicContact CG-CB 4.05Å; M286-F290 HydrophobicContact SD-CB 4.27Å; M286-V333 HydrophobicContact CB-CB 4.06Å; M286-V333 HydrophobicContact CB-CG1 3.91Å; M286-V333 HydrophobicContact CG-CG1 4.32Å; M286-V333 PolarHBondContact N-O 3.09Å; M286-I335 HydrophobicContact CE-CB 4.33Å; M286-I335 HydrophobicContact CE-CD1 4.41Å; M286-I335 HydrophobicContact CG-CD1 3.71Å; M286-I335 HydrophobicContact CG-CG1 4.23Å; M286-I335 HydrophobicContact SD-CD1 4.43Å; M286-I345 HydrophobicContact CE-CD1 3.53Å; M286-I345 HydrophobicContact CE-CG1 3.99Å; M286-I345 HydrophobicContact CE-CG2 3.97Å; M286-I345 HydrophobicContact CG-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 3.79Å; M286-I345 HydrophobicContact SD-CG1 4.09Å; M286-D347 HydrophobicContact SD-CB 4.14Å
287R86.1Confident77.9Confident103 Ų10354.8 Ų54.839%0.38931%0.305SS..  trans-76.7-112.5173.3-64.9-178.9173.4-167.90.3109.9N268 T328 D347 E353N268-R287 PolarHBondContact ND2-NE 2.92Å; R287-T328 WeakPolarHBondContact O-CG2 3.24Å; R287-D347 WeakPolarHBondContact CB-OD1 3.34Å; R287-D347 WeakPolarHBondContact CD-OD2 3.4Å; R287-D347 WeakPolarHBondContact CG-OD2 3.05Å; R287-D347 PolarHBondContact N-OD1 3.03Å; R287-D347 IonicContact NE-OD2 2.6Å; R287-E353 IonicContact NH1-OE1 2.78Å
288D87.4Confident79.5Confident15 Ų1549.7 Ų49.78%0.0827%0.27CS..SBendtrans-113.5-29.7-173.959.4-44.7000113Y325 A326 T328 T349 T350D288-Y325 HydrophobicContact CB-CD2 4.43Å; D288-Y325 HydrophobicContact CB-CE2 4.04Å; D288-Y325 CarbonylContact O-C 3.55Å; D288-Y325 VanDerWaalsContact O-CA 3.23Å; D288-Y325 WeakPolarHBondContact O-CA 2.97Å; D288-Y325 WeakPolarHBondContact O-CD2 3.44Å; D288-A326 VanDerWaalsContact CA-O 3.27Å; D288-A326 WeakPolarHBondContact CA-O 3.07Å; D288-A326 PolarHBondContact O-N 3.29Å; D288-T328 HydrophobicContact CB-CG2 4.41Å; D288-T349 VanDerWaalsContact OD1-CA 3.26Å; D288-T349 WeakPolarHBondContact OD1-CA 3.04Å; D288-T350 VanDerWaalsContact OD2-CB 3.31Å; D288-T350 WeakPolarHBondContact OD2-CB 3.39Å; D288-T350 WeakPolarHBondContact OD2-CG2 3.42Å; D288-T350 PolarHBondContact OD2-N 2.89Å; D288-T350 PolarHBondContact OD2-OG1 3.48Å
289L89.8Confident81.3Confident2 Ų244.7 Ų44.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-120.6131.9176.2178.572.7000109.6F256 P262 A265 I291 I323 G324 G348 T350F256-L289 HydrophobicContact CE1-CD1 4.37Å; F256-L289 HydrophobicContact CE1-CD2 3.99Å; F256-L289 HydrophobicContact CZ-CD1 4.38Å; F256-L289 HydrophobicContact CZ-CD2 4.07Å; P262-L289 HydrophobicContact CG-CD1 4.39Å; P262-L289 HydrophobicContact CG-CD2 4.35Å; A265-L289 HydrophobicContact CB-CD2 4.01Å; L289-I291 HydrophobicContact CD2-CD1 4.46Å; L289-I291 HydrophobicContact CG-CD1 4.43Å; L289-I323 HydrophobicContact CD1-CG2 3.84Å; L289-G324 WeakPolarHBondContact CA-O 3.48Å; L289-G348 PolarHBondContact N-O 2.75Å; L289-G348 PolarHBondContact O-N 3.09Å; L289-G348 VanDerWaalsContact O-O 3.12Å; L289-T350 HydrophobicContact CB-CG2 4.14Å
290F91.1Very high83.4Confident1 Ų139.3 Ų39.30%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-134.2144.3173.560.1-88.9000110.5V190 M286 L299 I318 G324 V333 I335 I345 C346V190-F290 HydrophobicContact CG2-CZ 4.4Å; M286-F290 HydrophobicContact CB-CB 4.33Å; M286-F290 HydrophobicContact CG-CB 4.05Å; M286-F290 HydrophobicContact SD-CB 4.27Å; F290-L299 HydrophobicContact CE1-CD1 3.93Å; F290-L299 HydrophobicContact CE2-CD1 4.04Å; F290-L299 HydrophobicContact CE2-CD2 4.41Å; F290-L299 HydrophobicContact CZ-CD1 3.44Å; F290-L299 VanDerWaalsContact CZ-CD1 3.44Å; F290-L299 HydrophobicContact CZ-CD2 3.7Å; F290-L299 HydrophobicContact CZ-CG 4.17Å; F290-I318 HydrophobicContact CE2-CD1 4.42Å; F290-G324 WeakPolarHBondContact CD1-O 3.49Å; F290-G324 VanDerWaalsContact CZ-CA 3.41Å; F290-G324 PolarHBondContact N-O 3.31Å; F290-G324 PolarHBondContact O-N 3.46Å; F290-V333 HydrophobicContact CD1-CG1 3.82Å; F290-V333 HydrophobicContact CE1-CG1 3.67Å; F290-V333 HydrophobicContact CZ-CG1 4.48Å; F290-I335 HydrophobicContact CB-CD1 4.14Å; F290-I335 HydrophobicContact CD1-CD1 4.45Å; F290-I335 HydrophobicContact CD2-CD1 3.53Å; F290-I335 HydrophobicContact CE2-CD1 3.97Å; F290-I335 HydrophobicContact CG-CD1 3.79Å; F290-I345 HydrophobicContact CB-CD1 4.38Å; F290-C346 CarbonylContact C-O 3.53Å; F290-C346 WeakPolarHBondContact CA-O 3.37Å
291I90.4Very high85.1Confident1 Ų136.7 Ų36.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-126.3127.7176.8-52.5110.4000109.5L249 F253 F256 L289 G293 I323 C346L249-I291 HydrophobicContact CD1-CD1 3.63Å; F253-I291 HydrophobicContact CD1-CG2 3.57Å; F253-I291 HydrophobicContact CD2-CB 4.42Å; F253-I291 HydrophobicContact CD2-CD1 4.3Å; F253-I291 HydrophobicContact CD2-CG1 4.5Å; F253-I291 HydrophobicContact CD2-CG2 4.09Å; F253-I291 HydrophobicContact CE1-CB 4.31Å; F253-I291 HydrophobicContact CE1-CG2 3.34Å; F253-I291 HydrophobicContact CE2-CB 4.03Å; F253-I291 HydrophobicContact CE2-CD1 4.26Å; F253-I291 HydrophobicContact CE2-CG1 4.49Å; F253-I291 HydrophobicContact CE2-CG2 3.88Å; F253-I291 HydrophobicContact CG-CG2 3.94Å; F253-I291 HydrophobicContact CZ-CB 3.98Å; F253-I291 HydrophobicContact CZ-CG2 3.51Å; F256-I291 HydrophobicContact CE2-CD1 3.88Å; F256-I291 HydrophobicContact CE2-CG1 3.77Å; F256-I291 HydrophobicContact CZ-CD1 3.8Å; F256-I291 HydrophobicContact CZ-CG1 3.7Å; L289-I291 HydrophobicContact CD2-CD1 4.46Å; L289-I291 HydrophobicContact CG-CD1 4.43Å; I291-G293 PolarHBondContact O-N 3.47Å; I291-I323 HydrophobicContact CG1-CG1 4.22Å; I291-I323 HydrophobicContact CG1-CG2 4.33Å; I291-I323 HydrophobicContact CG2-CG1 4.09Å; I291-C346 HydrophobicContact CB-CB 4.41Å; I291-C346 HydrophobicContact CD1-CB 4.4Å; I291-C346 PolarHBondContact N-O 2.61Å; I291-C346 PolarHBondContact O-N 3.37Å
292M89.5Confident86.6Confident0 Ų035.6 Ų35.60%017%0.166CC..EExtended strand (participates in β ladder)trans-80.7113.3172.4-66.1-56.6-66.100109.1A297 I318 E319 G321 D322 L343 I345M292-A297 HydrophobicContact CE-CB 3.67Å; M292-I318 HydrophobicContact CE-CD1 3.86Å; M292-I318 HydrophobicContact CE-CG1 3.92Å; M292-I318 HydrophobicContact CG-CB 4.07Å; M292-I318 HydrophobicContact CG-CD1 3.68Å; M292-I318 HydrophobicContact CG-CG1 3.99Å; M292-I318 HydrophobicContact SD-CD1 3.26Å; M292-I318 WeakPolarHBondContact SD-CD1 3.5Å; M292-I318 HydrophobicContact SD-CG1 3.92Å; M292-E319 WeakPolarHBondContact CB-O 3.48Å; M292-G321 VanDerWaalsContact O-CA 3.32Å; M292-G321 WeakPolarHBondContact O-CA 3.31Å; M292-G321 PolarHBondContact O-N 2.97Å; M292-D322 HydrophobicContact CB-CB 4.29Å; M292-D322 HydrophobicContact CG-CB 4.23Å; M292-D322 PolarHBondContact N-O 3.26Å; M292-L343 HydrophobicContact CE-CD1 3.34Å; M292-L343 HydrophobicContact CE-CD2 4.44Å; M292-L343 HydrophobicContact CE-CG 4.3Å; M292-I345 HydrophobicContact SD-CD1 3.77Å; M292-I345 HydrophobicContact SD-CG1 4.3Å
293G85.1Confident87.4Confident0 Ų030 Ų300%014%0.142CC..EExtended strand (participates in β ladder)trans-82.9-61.1176.400000111.5I202 I291 V344I202-G293 VanDerWaalsContact CD1-C 3.47Å; I291-G293 PolarHBondContact O-N 3.47Å; G293-V344 WeakPolarHBondContact CA-O 3.48Å; G293-V344 PolarHBondContact N-O 3.32Å
294S84.9Confident87.7Confident13 Ų1326.6 Ų26.69%0.09113%0.127CC..EExtended strand (participates in β ladder)trans-147153.9-174.9176.10000110.7L343 V344S294-L343 CarbonylContact O-C 3.52Å; S294-L343 WeakPolarHBondContact O-CA 3.44Å; S294-L343 WeakPolarHBondContact O-CD1 3.31Å; S294-V344 PolarHBondContact N-O 2.98Å; S294-V344 PolarHBondContact O-N 3.37Å
295G83.6Confident87.7Confident3 Ų333.1 Ų33.13%0.03116%0.155CC..SBendtrans80.5171.6-179.400000114.1P320G295-P320 WeakPolarHBondContact O-CG 3.37Å
296E84.3Confident87.4Confident124 Ų12433.9 Ų33.958%0.57916%0.159SC*.EExtended strand (participates in β ladder)trans-100.9143.2-177.9-65.6176.1-166.900110.8R338E296-R338 HydrophobicContact CB-CB 4.45Å; E296-R338 PolarHBondContact O-N 3.06Å
297A88.2Confident87.1Confident3 Ų333.7 Ų33.73%0.02516%0.158CC..EExtended strand (participates in β ladder)trans-145.9168.3173.900000112.3M292 I318 I335 I336 L343M292-A297 HydrophobicContact CE-CB 3.67Å; A297-I318 HydrophobicContact CB-CD1 3.93Å; A297-I318 HydrophobicContact CB-CG1 3.76Å; A297-I318 PolarHBondContact N-O 2.84Å; A297-I318 WeakPolarHBondContact O-CG1 3.42Å; A297-I318 PolarHBondContact O-N 3.47Å; A297-I335 HydrophobicContact CB-CG2 3.69Å; A297-I336 CarbonylContact C-O 3.54Å; A297-I336 VanDerWaalsContact CA-O 3.24Å; A297-I336 WeakPolarHBondContact CA-O 3.26Å; A297-I336 VanDerWaalsContact CB-O 3.28Å; A297-I336 WeakPolarHBondContact CB-O 3.31Å; A297-L343 HydrophobicContact CB-CD1 4.12Å; A297-L343 HydrophobicContact CB-CD2 3.85Å
298M89.6Confident87Confident29 Ų2935.7 Ų35.714%0.14317%0.166CC..EExtended strand (participates in β ladder)trans-106.8126.1166-67.4-68.4-62.200109.4A315 M316 P317 I335 I336 R338M298-A315 HydrophobicContact CE-CB 4.36Å; M298-M316 WeakPolarHBondContact CA-O 3.39Å; M298-P317 VanDerWaalsContact SD-CA 3.51Å; M298-P317 HydrophobicContact SD-CB 3.75Å; M298-I335 WeakPolarHBondContact O-CA 3.38Å; M298-I336 HydrophobicContact CB-CB 4.29Å; M298-I336 PolarHBondContact N-O 3.28Å; M298-I336 PolarHBondContact O-N 2.86Å; M298-R338 VanDerWaalsContact CG-CD 3.49Å; M298-R338 HydrophobicContact CG-CG 4.03Å; M298-R338 VanDerWaalsContact SD-CZ 3.55Å; M298-R338 PolarHBondContact SD-NH1 2.87Å
299L91.4Very high86.7Confident2 Ų243.8 Ų43.81%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-79.8132.4164.6177.665.1000109L171 V190 F290 L301 A315 M316 I318 V333 I335L171-L299 HydrophobicContact CD2-CD2 4.49Å; V190-L299 HydrophobicContact CG2-CD2 3.78Å; F290-L299 HydrophobicContact CE1-CD1 3.93Å; F290-L299 HydrophobicContact CE2-CD1 4.04Å; F290-L299 HydrophobicContact CE2-CD2 4.41Å; F290-L299 HydrophobicContact CZ-CD1 3.44Å; F290-L299 VanDerWaalsContact CZ-CD1 3.44Å; F290-L299 HydrophobicContact CZ-CD2 3.7Å; F290-L299 HydrophobicContact CZ-CG 4.17Å; L299-L301 HydrophobicContact CD1-CD2 4.06Å; L299-L301 HydrophobicContact CD1-CG 4.47Å; L299-L301 HydrophobicContact CD2-CD1 4.43Å; L299-L301 HydrophobicContact CD2-CD2 4.49Å; L299-L301 HydrophobicContact CD2-CG 4.28Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L299-L301 HydrophobicContact CG-CG 4.21Å; L299-A315 CarbonylContact O-C 3.59Å; L299-A315 WeakPolarHBondContact O-CA 3.44Å; L299-M316 HydrophobicContact CB-CG 4.05Å; L299-M316 HydrophobicContact CD2-CG 4.04Å; L299-M316 HydrophobicContact CD2-SD 4.31Å; L299-M316 PolarHBondContact N-O 3.1Å; L299-M316 PolarHBondContact O-N 2.88Å; L299-I318 HydrophobicContact CB-CD1 4.19Å; L299-I318 HydrophobicContact CB-CG2 3.77Å; L299-I318 HydrophobicContact CD2-CG2 4.44Å; L299-V333 HydrophobicContact CD1-CG1 3.7Å; L299-I335 HydrophobicContact CD1-CD1 4.36Å; L299-I335 HydrophobicContact CD1-CG1 4.01Å
300Q90.8Very high86.3Confident46 Ų4646.7 Ų46.722%0.21521%0.214CC..EExtended strand (participates in β ladder)trans-126.7116.9170.8-168.6178.322.100109.7I302 V314 Y334Q300-I302 HydrophobicContact CG-CD1 4.15Å; Q300-I302 HydrophobicContact CG-CG1 3.89Å; Q300-V314 CarbonylContact C-O 3.53Å; Q300-V314 WeakPolarHBondContact CA-O 3.49Å; Q300-Y334 PolarHBondContact N-O 3.48Å; Q300-Y334 PolarHBondContact O-N 2.92Å
301L89.8Confident85.9Confident2 Ų247 Ų471%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-101.9116.3175.4-61.2178.8000109L171 P188 L299 S313 V314 A326 W331 K332 V333L171-L301 HydrophobicContact CD1-CD1 3.9Å; L171-L301 HydrophobicContact CD2-CD1 4.26Å; L171-L301 HydrophobicContact CG-CD1 4.5Å; P188-L301 HydrophobicContact CB-CD1 3.78Å; P188-L301 HydrophobicContact CG-CD1 4.32Å; L299-L301 HydrophobicContact CD1-CD2 4.06Å; L299-L301 HydrophobicContact CD1-CG 4.47Å; L299-L301 HydrophobicContact CD2-CD1 4.43Å; L299-L301 HydrophobicContact CD2-CD2 4.49Å; L299-L301 HydrophobicContact CD2-CG 4.28Å; L299-L301 HydrophobicContact CG-CD2 4.34Å; L299-L301 HydrophobicContact CG-CG 4.21Å; L301-S313 CarbonylContact O-C 3.54Å; L301-S313 VanDerWaalsContact O-CA 3.28Å; L301-S313 WeakPolarHBondContact O-CA 3.47Å; L301-V314 HydrophobicContact CB-CB 4.38Å; L301-V314 PolarHBondContact N-O 2.79Å; L301-V314 PolarHBondContact O-N 2.79Å; L301-A326 HydrophobicContact CD2-CB 3.98Å; L301-W331 HydrophobicContact CB-CD2 4.38Å; L301-W331 HydrophobicContact CB-CE3 3.66Å; L301-W331 HydrophobicContact CB-CZ3 4.01Å; L301-K332 WeakPolarHBondContact CA-O 3.26Å; L301-V333 HydrophobicContact CD2-CB 4.22Å; L301-V333 HydrophobicContact CD2-CG1 4.03Å; L301-V333 HydrophobicContact CD2-CG2 3.84Å
302I88.8Confident85.5Confident30 Ų3055 Ų5515%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-114.7120.3-176.9-55-177.8000109Q300 K332 Y334Q300-I302 HydrophobicContact CG-CD1 4.15Å; Q300-I302 HydrophobicContact CG-CG1 3.89Å; I302-K332 HydrophobicContact CB-CB 4.49Å; I302-K332 PolarHBondContact N-O 3.41Å; I302-K332 PolarHBondContact O-N 3.5Å; I302-Y334 HydrophobicContact CD1-CD2 3.73Å; I302-Y334 HydrophobicContact CD1-CE2 3.91Å; I302-Y334 HydrophobicContact CG1-CD2 4.12Å; I302-Y334 HydrophobicContact CG1-CE2 4.42Å
303P88.1Confident85.3Confident4 Ų458.6 Ų58.63%0.02628%0.278CS..  trans-70.8153.8174.429.4-32.4000110.6C307 R308 C311 W331P303-C307 HydrophobicContact CB-CB 4.43Å; P303-R308 HydrophobicContact CG-CG 4.32Å; P303-C311 HydrophobicContact CB-CB 3.8Å; P303-C311 HydrophobicContact CG-CB 3.86Å; P303-W331 HydrophobicContact CB-CE3 4.39Å; P303-W331 HydrophobicContact CB-CZ3 4.26Å; P303-W331 HydrophobicContact CG-CZ3 4.35Å
304P84.9Confident85.5Confident27 Ų2760.7 Ų60.718%0.17529%0.291CS..  trans-59.3153175.525.8-34.1000110.8Q306 C307 R308 H330P304-Q306 PolarHBondContact O-N 2.88Å; P304-Q306 VanDerWaalsContact O-N 3.09Å; P304-C307 HydrophobicContact CG-CB 4.11Å; P304-C307 PolarHBondContact O-N 2.93Å; P304-R308 PolarHBondContact O-N 2.83Å; P304-H330 WeakPolarHBondContact CD-O 3.34Å
305F82.7Confident85.7Confident160 Ų16063.2 Ų63.270%0.70231%0.312SS*.G310 helixtrans-53-39-171.6-179.4-99.2000113C307 R308F305-C307 PolarHBondContact O-N 3.41Å; F305-R308 PolarHBondContact O-N 2.99Å
306Q82Confident86Confident140 Ų14064.2 Ų64.265%0.65432%0.316SS*.G310 helixtrans-63.7-28.2179.7-5882.9000112.8P304P304-Q306 PolarHBondContact O-N 2.88Å; P304-Q306 VanDerWaalsContact O-N 3.09Å
307C81.6Confident86.2Confident2 Ų262.3 Ų62.31%0.01432%0.315CS..G310 helixtrans-98.2-2.1-176.2-58.80000113.8C163 P303 P304 F305 K309 H310 C311C163-C307 WeakPolarHBondContact CA-SG 3.22Å; C163-C307 HydrophobicContact CB-CB 3.69Å; C163-C307 WeakPolarHBondContact CB-SG 3.19Å; C163-C307 WeakPolarHBondContact SG-CA 3.33Å; C163-C307 WeakPolarHBondContact SG-CB 3.4Å; C163-C307 CovalentContact SG-SG 2.04Å; C163-C307 PolarHBondContact SG-SG 2.98Å; P303-C307 HydrophobicContact CB-CB 4.43Å; P304-C307 HydrophobicContact CG-CB 4.11Å; P304-C307 PolarHBondContact O-N 2.93Å; F305-C307 PolarHBondContact O-N 3.41Å; C307-K309 PolarHBondContact O-N 3.02Å; C307-K309 VanDerWaalsContact O-N 3.14Å; C307-H310 PolarHBondContact O-N 2.75Å; C307-C311 WeakPolarHBondContact O-CB 3.23Å; C307-C311 PolarHBondContact O-N 3Å
308R83.1Confident86.3Confident146 Ų14662.2 Ų62.255%0.55131%0.314SS*.THydrogen-bonded Turntrans-62.2-20.8179.3-71-176.6179.9-171.9-1114.3P303 P304 F305 H310P303-R308 HydrophobicContact CG-CG 4.32Å; P304-R308 PolarHBondContact O-N 2.83Å; F305-R308 PolarHBondContact O-N 2.99Å; R308-H310 VanDerWaalsContact C-N 3.3Å
309K81.2Confident86.3Confident184 Ų18466.1 Ų66.180%0.833%0.332SS*.THydrogen-bonded Turntrans-69.5-28.1172.6-67.9-173.2175.9-173.60112.8C307C307-K309 PolarHBondContact O-N 3.02Å; C307-K309 VanDerWaalsContact O-N 3.14Å
310H81.6Confident86.1Confident64 Ų6467.7 Ų67.730%0.29634%0.342SS..THydrogen-bonded Turntrans-111.4-18.4-174.7-55.8-68.7000113.2P160 A167 C307 R308P160-H310 WeakPolarHBondContact CD-NE2 3.47Å; A167-H310 HydrophobicContact CB-CB 4.19Å; C307-H310 PolarHBondContact O-N 2.75Å; R308-H310 VanDerWaalsContact C-N 3.3Å
311C81.7Confident85.8Confident7 Ų765.9 Ų65.95%0.04734%0.335CS..  trans-130.5133-172-53.30000110.2C166 A167 P303 C307C166-C311 HydrophobicContact CB-CB 3.65Å; C166-C311 WeakPolarHBondContact CB-SG 3.4Å; C166-C311 WeakPolarHBondContact SG-CB 3.28Å; C166-C311 CovalentContact SG-SG 2.03Å; C166-C311 PolarHBondContact SG-SG 3.45Å; A167-C311 PolarHBondContact N-SG 2.84Å; P303-C311 HydrophobicContact CB-CB 3.8Å; P303-C311 HydrophobicContact CG-CB 3.86Å; C307-C311 WeakPolarHBondContact O-CB 3.23Å; C307-C311 PolarHBondContact O-N 3Å
312Q82.9Confident85.8Confident170 Ų17065.9 Ų65.979%0.79434%0.335SS*.  trans-91.9151.1174.1-65.5-176.71.500110.6
313S85.9Confident85.8Confident75 Ų7564.8 Ų64.852%0.52433%0.33SS..  trans-71.2138.1169.954.80000110.3L301L301-S313 CarbonylContact O-C 3.54Å; L301-S313 VanDerWaalsContact O-CA 3.28Å; L301-S313 WeakPolarHBondContact O-CA 3.47Å
314V88Confident85.9Confident44 Ų4464.7 Ų64.727%0.26733%0.329SS..EExtended strand (participates in β ladder)trans-109.2135178-178.10000108.9L171 Q300 L301L171-V314 HydrophobicContact CB-CG1 4.12Å; L171-V314 HydrophobicContact CD2-CG1 3.7Å; Q300-V314 CarbonylContact C-O 3.53Å; Q300-V314 WeakPolarHBondContact CA-O 3.49Å; L301-V314 HydrophobicContact CB-CB 4.38Å; L301-V314 PolarHBondContact N-O 2.79Å; L301-V314 PolarHBondContact O-N 2.79Å
315A89.5Confident86.1Confident65 Ų6564 Ų6454%0.53732%0.324SS..EExtended strand (participates in β ladder)trans-128.4131.417100000109.8M298 L299M298-A315 HydrophobicContact CE-CB 4.36Å; L299-A315 CarbonylContact O-C 3.59Å; L299-A315 WeakPolarHBondContact O-CA 3.44Å
316M89Confident86.4Confident24 Ų2456.5 Ų56.512%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-144.8149.7177.464.4155-79.100112.3L171 V173 V190 M298 L299 I318L171-M316 HydrophobicContact CD2-CG 3.88Å; L171-M316 HydrophobicContact CD2-SD 3.57Å; L171-M316 VanDerWaalsContact CD2-SD 3.57Å; V173-M316 HydrophobicContact CG2-SD 3.86Å; V190-M316 HydrophobicContact CB-SD 4.34Å; V190-M316 HydrophobicContact CG1-CE 4.13Å; V190-M316 HydrophobicContact CG1-SD 4.46Å; V190-M316 HydrophobicContact CG2-SD 4.07Å; M298-M316 WeakPolarHBondContact CA-O 3.39Å; L299-M316 HydrophobicContact CB-CG 4.05Å; L299-M316 HydrophobicContact CD2-CG 4.04Å; L299-M316 HydrophobicContact CD2-SD 4.31Å; L299-M316 PolarHBondContact N-O 3.1Å; L299-M316 PolarHBondContact O-N 2.88Å; M316-I318 HydrophobicContact CE-CG2 3.64Å
317P89.9Confident86.6Confident84 Ų8450.5 Ų50.555%0.54526%0.264SS..EExtended strand (participates in β ladder)trans-73.4132.6172.629.8-33.4000111.1M298M298-P317 VanDerWaalsContact SD-CA 3.51Å; M298-P317 HydrophobicContact SD-CB 3.75Å
318I89.9Confident86.7Confident2 Ų254.3 Ų54.31%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-113141.7175.853.8-178.1000109.8F290 M292 A297 L299 M316 I335F290-I318 HydrophobicContact CE2-CD1 4.42Å; M292-I318 HydrophobicContact CE-CD1 3.86Å; M292-I318 HydrophobicContact CE-CG1 3.92Å; M292-I318 HydrophobicContact CG-CB 4.07Å; M292-I318 HydrophobicContact CG-CD1 3.68Å; M292-I318 HydrophobicContact CG-CG1 3.99Å; M292-I318 HydrophobicContact SD-CD1 3.26Å; M292-I318 WeakPolarHBondContact SD-CD1 3.5Å; M292-I318 HydrophobicContact SD-CG1 3.92Å; A297-I318 HydrophobicContact CB-CD1 3.93Å; A297-I318 HydrophobicContact CB-CG1 3.76Å; A297-I318 PolarHBondContact N-O 2.84Å; A297-I318 WeakPolarHBondContact O-CG1 3.42Å; A297-I318 PolarHBondContact O-N 3.47Å; L299-I318 HydrophobicContact CB-CD1 4.19Å; L299-I318 HydrophobicContact CB-CG2 3.77Å; L299-I318 HydrophobicContact CD2-CG2 4.44Å; M316-I318 HydrophobicContact CE-CG2 3.64Å; I318-I335 HydrophobicContact CD1-CD1 3.99Å; I318-I335 HydrophobicContact CD1-CG1 4.14Å; I318-I335 HydrophobicContact CD1-CG2 4.05Å
319E88.8Confident86.6Confident111 Ų11151.7 Ų51.752%0.51929%0.288SS..  trans-111.1161.2-174.4-70.4167.4145.900110.6K192 M292 G321 D322K192-E319 IonicContact NZ-OE2 2.79Å; K192-E319 PolarHBondContact NZ-OE2 2.94Å; M292-E319 WeakPolarHBondContact CB-O 3.48Å; E319-G321 PolarHBondContact O-N 3.47Å; E319-D322 PolarHBondContact N-OD2 3.08Å; E319-D322 VanDerWaalsContact O-CB 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.41Å; E319-D322 VanDerWaalsContact O-CG 3.23Å; E319-D322 PolarHBondContact O-N 3.41Å; E319-D322 VanDerWaalsContact O-N 3.12Å
320P87.6Confident86.7Confident35 Ų3544 Ų4423%0.22726%0.255CS..THydrogen-bonded Turntrans-58.2134.1174.8-21.131.4000112P196 G295P196-P320 HydrophobicContact CB-CB 3.81Å; G295-P320 WeakPolarHBondContact O-CG 3.37Å
321G85.3Confident86.9Confident7 Ų741.3 Ų41.37%0.07224%0.242CC..THydrogen-bonded Turntrans92.6-12.6-17500000114.3T193 M292 E319T193-G321 VanDerWaalsContact CG2-O 3.32Å; T193-G321 WeakPolarHBondContact CG2-O 3.49Å; T193-G321 PolarHBondContact OG1-O 3.11Å; M292-G321 VanDerWaalsContact O-CA 3.32Å; M292-G321 WeakPolarHBondContact O-CA 3.31Å; M292-G321 PolarHBondContact O-N 2.97Å; E319-G321 PolarHBondContact O-N 3.47Å
322D89.9Confident87.2Confident2 Ų245.7 Ų45.71%0.01126%0.26CS..  trans-65.9138.1179.4-71-11.4000111.9V190 K192 M292 E319V190-D322 HydrophobicContact CG1-CB 4.49Å; K192-D322 VanDerWaalsContact CD-CG 3.42Å; K192-D322 WeakPolarHBondContact CD-OD1 3.15Å; K192-D322 VanDerWaalsContact CD-OD2 3.26Å; K192-D322 WeakPolarHBondContact CD-OD2 3.25Å; K192-D322 WeakPolarHBondContact CE-OD2 3.24Å; K192-D322 IonicContact NZ-OD1 2.69Å; K192-D322 IonicContact NZ-OD2 2.85Å; K192-D322 PolarHBondContact NZ-OD2 3.03Å; M292-D322 HydrophobicContact CB-CB 4.29Å; M292-D322 HydrophobicContact CG-CB 4.23Å; M292-D322 PolarHBondContact N-O 3.26Å; E319-D322 PolarHBondContact N-OD2 3.08Å; E319-D322 VanDerWaalsContact O-CB 3.27Å; E319-D322 WeakPolarHBondContact O-CB 3.41Å; E319-D322 VanDerWaalsContact O-CG 3.23Å; E319-D322 PolarHBondContact O-N 3.41Å; E319-D322 VanDerWaalsContact O-N 3.12Å
323I89.4Confident87.6Confident8 Ų837.7 Ų37.74%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-115.8124.1176.5-59.1168000107.5V190 I191 T193 V255 F256 L259 L289 I291V190-I323 CarbonylContact C-O 3.58Å; V190-I323 WeakPolarHBondContact CA-O 3.41Å; I191-I323 HydrophobicContact CB-CB 4.49Å; I191-I323 PolarHBondContact N-O 3.26Å; I191-I323 PolarHBondContact O-N 3.33Å; T193-I323 HydrophobicContact CG2-CD1 3.92Å; T193-I323 HydrophobicContact CG2-CG1 4.23Å; V255-I323 HydrophobicContact CB-CD1 4.06Å; V255-I323 HydrophobicContact CG1-CD1 3.72Å; F256-I323 HydrophobicContact CE1-CG2 4.38Å; F256-I323 HydrophobicContact CE2-CD1 4Å; F256-I323 HydrophobicContact CZ-CD1 4.04Å; F256-I323 HydrophobicContact CZ-CG1 4.4Å; F256-I323 HydrophobicContact CZ-CG2 3.91Å; L259-I323 HydrophobicContact CD1-CD1 3.71Å; L289-I323 HydrophobicContact CD1-CG2 3.84Å; I291-I323 HydrophobicContact CG1-CG1 4.22Å; I291-I323 HydrophobicContact CG1-CG2 4.33Å; I291-I323 HydrophobicContact CG2-CG1 4.09Å
324G89.6Confident87.8Confident1 Ų135.9 Ų35.91%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-122.7148.7179.200000113L189 L289 F290L189-G324 CarbonylContact O-C 3.58Å; L189-G324 VanDerWaalsContact O-CA 3.31Å; L189-G324 WeakPolarHBondContact O-CA 3.37Å; L289-G324 WeakPolarHBondContact CA-O 3.48Å; F290-G324 WeakPolarHBondContact CD1-O 3.49Å; F290-G324 VanDerWaalsContact CZ-CA 3.41Å; F290-G324 PolarHBondContact N-O 3.31Å; F290-G324 PolarHBondContact O-N 3.46Å
325Y89.1Confident87.8Confident14 Ų1433.8 Ų33.86%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-131.8137.4174.6173.6-94.5000111F183 R185 P188 L189 D288 T350F183-Y325 HydrophobicContact CE1-CD1 4.02Å; F183-Y325 HydrophobicContact CE1-CD2 4.26Å; F183-Y325 AromaticContact CE1-CE1 3.5Å; F183-Y325 HydrophobicContact CE1-CE1 3.5Å; F183-Y325 AromaticContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CE2 3.8Å; F183-Y325 HydrophobicContact CE1-CG 4.34Å; F183-Y325 AromaticContact CE1-CZ 3.36Å; F183-Y325 AromaticContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CD1 3.74Å; F183-Y325 HydrophobicContact CE2-CE1 4.05Å; F183-Y325 AromaticContact CE2-CG 3.98Å; F183-Y325 HydrophobicContact CE2-CG 3.98Å; F183-Y325 AromaticContact CZ-CD1 3.11Å; F183-Y325 HydrophobicContact CZ-CD1 3.11Å; F183-Y325 AromaticContact CZ-CD2 3.57Å; F183-Y325 HydrophobicContact CZ-CD2 3.57Å; F183-Y325 AromaticContact CZ-CE1 3.08Å; F183-Y325 HydrophobicContact CZ-CE1 3.08Å; F183-Y325 AromaticContact CZ-CE2 3.57Å; F183-Y325 HydrophobicContact CZ-CE2 3.57Å; F183-Y325 AromaticContact CZ-CG 3.32Å; F183-Y325 HydrophobicContact CZ-CG 3.32Å; F183-Y325 AromaticContact CZ-CZ 3.3Å; R185-Y325 WeakPolarHBondContact CB-OH 3.27Å; R185-Y325 VanDerWaalsContact O-CE1 3.3Å; R185-Y325 WeakPolarHBondContact O-CE1 3.3Å; R185-Y325 PolarHBondContact O-OH 3.24Å; P188-Y325 CarbonylContact C-O 3.56Å; P188-Y325 VanDerWaalsContact CA-O 3.26Å; P188-Y325 WeakPolarHBondContact CA-O 3.49Å; L189-Y325 PolarHBondContact N-O 3.05Å; L189-Y325 PolarHBondContact O-N 3.19Å; D288-Y325 HydrophobicContact CB-CD2 4.43Å; D288-Y325 HydrophobicContact CB-CE2 4.04Å; D288-Y325 CarbonylContact O-C 3.55Å; D288-Y325 VanDerWaalsContact O-CA 3.23Å; D288-Y325 WeakPolarHBondContact O-CA 2.97Å; D288-Y325 WeakPolarHBondContact O-CD2 3.44Å; Y325-T350 HydrophobicContact CD2-CG2 3.5Å; Y325-T350 HydrophobicContact CE2-CG2 3.41Å; Y325-T350 VanDerWaalsContact CE2-CG2 3.41Å
326A88.6Confident87.7Confident1 Ų131.8 Ų31.81%0.00817%0.172CC..  trans-151143.416600000111.2P188 D288 L301 T328 W331 V333P188-A326 HydrophobicContact CB-CB 3.99Å; D288-A326 VanDerWaalsContact CA-O 3.27Å; D288-A326 WeakPolarHBondContact CA-O 3.07Å; D288-A326 PolarHBondContact O-N 3.29Å; L301-A326 HydrophobicContact CD2-CB 3.98Å; A326-T328 PolarHBondContact O-N 2.03Å; A326-W331 HydrophobicContact CB-CB 4.26Å; A326-V333 HydrophobicContact CB-CG2 3.63Å
327S85.6Confident87.5Confident15 Ų1531.4 Ų31.411%0.10517%0.173CC..  trans-73.7117.4178.4-168.10000111.2R185 T329 H330 W331R185-S327 WeakPolarHBondContact O-CB 3.41Å; S327-T329 PolarHBondContact O-N 3.21Å; S327-T329 VanDerWaalsContact O-N 3.1Å; S327-T329 PolarHBondContact OG-OG1 3.15Å; S327-H330 PolarHBondContact O-N 3.03Å; S327-W331 PolarHBondContact O-N 3.34Å
328T83.6Confident87.1Confident82 Ų8234 Ų3450%0.50317%0.172SC..THydrogen-bonded Turntrans-57.8-24.4177.252.30000114R287 D288 A326 H330 W331R287-T328 WeakPolarHBondContact O-CG2 3.24Å; D288-T328 HydrophobicContact CB-CG2 4.41Å; A326-T328 PolarHBondContact O-N 2.03Å; T328-H330 VanDerWaalsContact C-N 3.29Å; T328-H330 PolarHBondContact O-N 3.35Å; T328-W331 VanDerWaalsContact CA-O 3.31Å; T328-W331 WeakPolarHBondContact CA-O 3.03Å
329T81.8Confident86.2Confident90 Ų9036.4 Ų36.455%0.55220%0.197SC*.THydrogen-bonded Turntrans-69.1-27176.755.40000113.2S327S327-T329 PolarHBondContact O-N 3.21Å; S327-T329 VanDerWaalsContact O-N 3.1Å; S327-T329 PolarHBondContact OG-OG1 3.15Å
330H82.1Confident85.4Confident23 Ų2338 Ų3811%0.10621%0.214CC..THydrogen-bonded Turntrans-117.8-20.2-173.9-57.7107.6000112.8N162 L186 P304 S327 T328N162-H330 PolarHBondContact O-CD2 2.69Å; L186-H330 WeakPolarHBondContact CD2-CE1 3.45Å; P304-H330 WeakPolarHBondContact CD-O 3.34Å; S327-H330 PolarHBondContact O-N 3.03Å; T328-H330 VanDerWaalsContact C-N 3.29Å; T328-H330 PolarHBondContact O-N 3.35Å
331W86.1Confident84.7Confident8 Ų842.5 Ų42.53%0.0323%0.232CC..  trans-139.2138-174.9-64.499.1000110.5C166 P188 L301 P303 A326 S327 T328C166-W331 HydrophobicContact CB-CD2 4.37Å; C166-W331 HydrophobicContact CB-CH2 3.93Å; C166-W331 HydrophobicContact CB-CZ2 3.33Å; P188-W331 HydrophobicContact CG-CZ2 4.26Å; L301-W331 HydrophobicContact CB-CD2 4.38Å; L301-W331 HydrophobicContact CB-CE3 3.66Å; L301-W331 HydrophobicContact CB-CZ3 4.01Å; P303-W331 HydrophobicContact CB-CE3 4.39Å; P303-W331 HydrophobicContact CB-CZ3 4.26Å; P303-W331 HydrophobicContact CG-CZ3 4.35Å; A326-W331 HydrophobicContact CB-CB 4.26Å; S327-W331 PolarHBondContact O-N 3.34Å; T328-W331 VanDerWaalsContact CA-O 3.31Å; T328-W331 WeakPolarHBondContact CA-O 3.03Å
332K89.1Confident84.3Confident99 Ų9944.5 Ų44.543%0.4324%0.244SC..EExtended strand (participates in β ladder)trans-94126.3162.2-61-166176-1630108.9L301 I302 Y334L301-K332 WeakPolarHBondContact CA-O 3.26Å; I302-K332 HydrophobicContact CB-CB 4.49Å; I302-K332 PolarHBondContact N-O 3.41Å; I302-K332 PolarHBondContact O-N 3.5Å; K332-Y334 HydrophobicContact CB-CD2 4.28Å; K332-Y334 HydrophobicContact CB-CE2 3.56Å; K332-Y334 HydrophobicContact CD-CE2 4.23Å; K332-Y334 WeakPolarHBondContact CD-OH 3.37Å
333V90.8Very high84Confident1 Ų144.4 Ų44.41%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-101.4113.4-175.5-171.70000108.7E285 M286 F290 L299 L301 A326E285-V333 WeakPolarHBondContact CA-O 3.2Å; M286-V333 HydrophobicContact CB-CB 4.06Å; M286-V333 HydrophobicContact CB-CG1 3.91Å; M286-V333 HydrophobicContact CG-CG1 4.32Å; M286-V333 PolarHBondContact N-O 3.09Å; F290-V333 HydrophobicContact CD1-CG1 3.82Å; F290-V333 HydrophobicContact CE1-CG1 3.67Å; F290-V333 HydrophobicContact CZ-CG1 4.48Å; L299-V333 HydrophobicContact CD1-CG1 3.7Å; L301-V333 HydrophobicContact CD2-CB 4.22Å; L301-V333 HydrophobicContact CD2-CG1 4.03Å; L301-V333 HydrophobicContact CD2-CG2 3.84Å; A326-V333 HydrophobicContact CB-CG2 3.63Å
334Y90.1Very high83.8Confident38 Ų3844.4 Ų44.415%0.14924%0.243CC..EExtended strand (participates in β ladder)trans-116.2137.7175.9-65.4-70.8000110.5M283 H284 E285 Q300 I302 K332M283-Y334 HydrophobicContact CB-CD1 4.11Å; H284-Y334 WeakPolarHBondContact O-CA 3.44Å; E285-Y334 HydrophobicContact CB-CD1 4.1Å; E285-Y334 HydrophobicContact CB-CE1 3.77Å; E285-Y334 HydrophobicContact CG-CD1 4.46Å; E285-Y334 HydrophobicContact CG-CE1 3.92Å; E285-Y334 PolarHBondContact OE2-OH 2.78Å; Q300-Y334 PolarHBondContact N-O 3.48Å; Q300-Y334 PolarHBondContact O-N 2.92Å; I302-Y334 HydrophobicContact CD1-CD2 3.73Å; I302-Y334 HydrophobicContact CD1-CE2 3.91Å; I302-Y334 HydrophobicContact CG1-CD2 4.12Å; I302-Y334 HydrophobicContact CG1-CE2 4.42Å; K332-Y334 HydrophobicContact CB-CD2 4.28Å; K332-Y334 HydrophobicContact CB-CE2 3.56Å; K332-Y334 HydrophobicContact CD-CE2 4.23Å; K332-Y334 WeakPolarHBondContact CD-OH 3.37Å
335I88.9Confident83.8Confident0 Ų044.3 Ų44.30%024%0.243CC..EExtended strand (participates in β ladder)trans-121.2130.3175.2-67.4174.1000109.5H284 M286 F290 A297 M298 L299 I318 L343 I345H284-I335 PolarHBondContact N-O 3.36Å; H284-I335 PolarHBondContact O-N 2.94Å; M286-I335 HydrophobicContact CE-CB 4.33Å; M286-I335 HydrophobicContact CE-CD1 4.41Å; M286-I335 HydrophobicContact CG-CD1 3.71Å; M286-I335 HydrophobicContact CG-CG1 4.23Å; M286-I335 HydrophobicContact SD-CD1 4.43Å; F290-I335 HydrophobicContact CB-CD1 4.14Å; F290-I335 HydrophobicContact CD1-CD1 4.45Å; F290-I335 HydrophobicContact CD2-CD1 3.53Å; F290-I335 HydrophobicContact CE2-CD1 3.97Å; F290-I335 HydrophobicContact CG-CD1 3.79Å; A297-I335 HydrophobicContact CB-CG2 3.69Å; M298-I335 WeakPolarHBondContact O-CA 3.38Å; L299-I335 HydrophobicContact CD1-CD1 4.36Å; L299-I335 HydrophobicContact CD1-CG1 4.01Å; I318-I335 HydrophobicContact CD1-CD1 3.99Å; I318-I335 HydrophobicContact CD1-CG1 4.14Å; I318-I335 HydrophobicContact CD1-CG2 4.05Å; I335-L343 HydrophobicContact CG2-CD2 4.35Å; I335-I345 HydrophobicContact CB-CD1 4.05Å; I335-I345 HydrophobicContact CD1-CD1 3.07Å; I335-I345 HydrophobicContact CG1-CD1 4.1Å; I335-I345 HydrophobicContact CG2-CD1 3.81Å
336I87.1Confident83.7Confident23 Ų2343.7 Ų43.712%0.11824%0.24CC..EExtended strand (participates in β ladder)trans-119.1110.4-171.9-53.9-178.8000107.1S281 M283 A297 M298 R338S281-I336 VanDerWaalsContact CB-CG2 3.43Å; S281-I336 WeakPolarHBondContact OG-CG2 3.31Å; M283-I336 HydrophobicContact CE-CD1 3.87Å; M283-I336 HydrophobicContact CG-CD1 4.17Å; M283-I336 HydrophobicContact CG-CG1 4.04Å; M283-I336 HydrophobicContact SD-CD1 4.42Å; A297-I336 CarbonylContact C-O 3.54Å; A297-I336 VanDerWaalsContact CA-O 3.24Å; A297-I336 WeakPolarHBondContact CA-O 3.26Å; A297-I336 VanDerWaalsContact CB-O 3.28Å; A297-I336 WeakPolarHBondContact CB-O 3.31Å; M298-I336 HydrophobicContact CB-CB 4.29Å; M298-I336 PolarHBondContact N-O 3.28Å; M298-I336 PolarHBondContact O-N 2.86Å; I336-R338 PolarHBondContact O-N 2.04Å
337A85.3Confident83.8Confident15 Ų1544 Ų4412%0.12424%0.242CC..EExtended strand (participates in β ladder)trans-59.9137.9177.500000110.9P275 L343P275-A337 HydrophobicContact CB-CB 4.3Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 HydrophobicContact CB-CD2 3.72Å
338R79.8Confident83.8Confident139 Ų13943.3 Ų43.353%0.52524%0.237SC..EExtended strand (participates in β ladder)trans-125.2151175.3-80.7-160.3166.21800.2110.6E296 M298 I336E296-R338 HydrophobicContact CB-CB 4.45Å; E296-R338 PolarHBondContact O-N 3.06Å; M298-R338 VanDerWaalsContact CG-CD 3.49Å; M298-R338 HydrophobicContact CG-CG 4.03Å; M298-R338 VanDerWaalsContact SD-CZ 3.55Å; M298-R338 PolarHBondContact SD-NH1 2.87Å; I336-R338 PolarHBondContact O-N 2.04Å
339G72.8Confident83.9Confident53 Ų5340 Ų4055%0.54622%0.217SC..SBendtrans87.6-164175.200000113.8P275P275-G339 VanDerWaalsContact CB-O 3.29Å; P275-G339 WeakPolarHBondContact CB-O 3.46Å; P275-G339 WeakPolarHBondContact CG-O 3.31Å
340V70.9Confident83.8Confident145 Ų14535.9 Ų35.988%0.87919%0.191SC*.SBendtrans-107-17.3-174.4-168.60000111.5
341Q73.7Confident83.1Confident128 Ų12840.3 Ų40.360%0.59821%0.211SC*.SBendtrans-78.7147.1-179.3-69.8-179-8.900111.2P275 L343P275-Q341 VanDerWaalsContact CD-O 3.32Å; P275-Q341 WeakPolarHBondContact CD-O 3.28Å; P275-Q341 WeakPolarHBondContact CG-O 3.46Å; Q341-L343 PolarHBondContact O-N 3.14Å
342P76.9Confident81.6Confident49 Ų4942.6 Ų42.632%0.31823%0.228SC..PPolyproline II helixtrans-63.7129.8172.927.7-33.5000110L272L272-P342 HydrophobicContact CD1-CB 4.04Å
343L83Confident79.6Confident1 Ų143.4 Ų43.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-89.9128.4178.1-178.674000109.5L272 L273 M292 S294 A297 I335 A337 Q341L272-L343 CarbonylContact C-O 3.18Å; L272-L343 WeakPolarHBondContact CA-O 3.45Å; L273-L343 HydrophobicContact CB-CB 4.21Å; L273-L343 HydrophobicContact CD1-CD2 4.1Å; L273-L343 PolarHBondContact N-O 3.34Å; L273-L343 PolarHBondContact O-N 2.95Å; M292-L343 HydrophobicContact CE-CD1 3.34Å; M292-L343 HydrophobicContact CE-CD2 4.44Å; M292-L343 HydrophobicContact CE-CG 4.3Å; S294-L343 CarbonylContact O-C 3.52Å; S294-L343 WeakPolarHBondContact O-CA 3.44Å; S294-L343 WeakPolarHBondContact O-CD1 3.31Å; A297-L343 HydrophobicContact CB-CD1 4.12Å; A297-L343 HydrophobicContact CB-CD2 3.85Å; I335-L343 HydrophobicContact CG2-CD2 4.35Å; A337-L343 HydrophobicContact CB-CB 4.22Å; A337-L343 HydrophobicContact CB-CD2 3.72Å; Q341-L343 PolarHBondContact O-N 3.14Å
344V85.6Confident76.9Confident7 Ų754.6 Ų54.64%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-109122.6168.3-174.50000109.3I202 L206 F271 L272 G293 S294I202-V344 HydrophobicContact CG2-CB 4.27Å; I202-V344 HydrophobicContact CG2-CG1 3.65Å; I202-V344 HydrophobicContact CG2-CG2 4.28Å; L206-V344 HydrophobicContact CD1-CG1 4.31Å; F271-V344 WeakPolarHBondContact O-CA 3.32Å; L272-V344 HydrophobicContact CD1-CG2 3.54Å; G293-V344 WeakPolarHBondContact CA-O 3.48Å; G293-V344 PolarHBondContact N-O 3.32Å; S294-V344 PolarHBondContact N-O 2.98Å; S294-V344 PolarHBondContact O-N 3.37Å
345I88.1Confident76.3Confident0 Ų055.4 Ų55.40%030%0.299CS..EExtended strand (participates in β ladder)trans-129.5136.2176.8-178.8156.9000111.4C270 F271 L273 M286 F290 M292 I335C270-I345 CarbonylContact C-O 3.57Å; C270-I345 WeakPolarHBondContact CA-O 3.27Å; F271-I345 HydrophobicContact CB-CG2 3.86Å; F271-I345 HydrophobicContact CD2-CG2 4.36Å; F271-I345 PolarHBondContact N-O 2.88Å; F271-I345 PolarHBondContact O-N 3.28Å; L273-I345 HydrophobicContact CD1-CG2 3.89Å; L273-I345 HydrophobicContact CG-CG2 4.42Å; M286-I345 HydrophobicContact CE-CD1 3.53Å; M286-I345 HydrophobicContact CE-CG1 3.99Å; M286-I345 HydrophobicContact CE-CG2 3.97Å; M286-I345 HydrophobicContact CG-CD1 4.42Å; M286-I345 HydrophobicContact SD-CD1 3.79Å; M286-I345 HydrophobicContact SD-CG1 4.09Å; F290-I345 HydrophobicContact CB-CD1 4.38Å; M292-I345 HydrophobicContact SD-CD1 3.77Å; M292-I345 HydrophobicContact SD-CG1 4.3Å; I335-I345 HydrophobicContact CB-CD1 4.05Å; I335-I345 HydrophobicContact CD1-CD1 3.07Å; I335-I345 HydrophobicContact CG1-CD1 4.1Å; I335-I345 HydrophobicContact CG2-CD1 3.81Å
346C87.9Confident75.6Confident0 Ų058.3 Ų58.30%031%0.314CS..EExtended strand (participates in β ladder)trans-113120.3178.4-70.80000110.7F253 L267 K269 C270 F290 I291F253-C346 HydrophobicContact CE2-CB 3.88Å; F253-C346 HydrophobicContact CZ-CB 4.15Å; L267-C346 HydrophobicContact CD1-CB 3.67Å; K269-C346 CarbonylContact O-C 3.4Å; C270-C346 HydrophobicContact CB-CB 4.17Å; C270-C346 WeakPolarHBondContact CB-SG 3.06Å; C270-C346 WeakPolarHBondContact SG-CB 3.26Å; C270-C346 CovalentContact SG-SG 2.05Å; C270-C346 PolarHBondContact SG-SG 3.4Å; F290-C346 CarbonylContact C-O 3.53Å; F290-C346 WeakPolarHBondContact CA-O 3.37Å; I291-C346 HydrophobicContact CB-CB 4.41Å; I291-C346 HydrophobicContact CD1-CB 4.4Å; I291-C346 PolarHBondContact N-O 2.61Å; I291-C346 PolarHBondContact O-N 3.37Å
347D89.5Confident75Confident8 Ų860.3 Ų60.34%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-84.5134.5170.718051.7000109.7N268 K269 F271 M286 R287N268-D347 WeakPolarHBondContact CA-O 3.06Å; N268-D347 WeakPolarHBondContact CB-O 3.43Å; N268-D347 PolarHBondContact N-O 3.09Å; N268-D347 PolarHBondContact ND2-OD2 3.37Å; K269-D347 PolarHBondContact N-O 3.46Å; K269-D347 VanDerWaalsContact N-O 3.09Å; K269-D347 WeakPolarHBondContact O-CA 3.04Å; K269-D347 PolarHBondContact O-N 2.86Å; F271-D347 HydrophobicContact CE2-CB 3.78Å; M286-D347 HydrophobicContact SD-CB 4.14Å; R287-D347 WeakPolarHBondContact CB-OD1 3.34Å; R287-D347 WeakPolarHBondContact CD-OD2 3.4Å; R287-D347 WeakPolarHBondContact CG-OD2 3.05Å; R287-D347 PolarHBondContact N-OD1 3.03Å; R287-D347 IonicContact NE-OD2 2.6Å
348G87.3Confident74.4Confident0 Ų062.9 Ų62.90%034%0.337CS..EExtended strand (participates in β ladder)trans-138.3171.8179.700000111.2S266 L289S266-G348 CarbonylContact O-C 3.59Å; S266-G348 WeakPolarHBondContact O-CA 3.2Å; L289-G348 PolarHBondContact N-O 2.75Å; L289-G348 PolarHBondContact O-N 3.09Å; L289-G348 VanDerWaalsContact O-O 3.12Å
349T85.1Confident74Confident13 Ų1358.2 Ų58.28%0.0833%0.325CS..EExtended strand (participates in β ladder)trans-123.1142.7174.558.10000110.7A265 S266 D288 F351A265-T349 CarbonylContact C-O 3.56Å; A265-T349 VanDerWaalsContact CA-O 3.29Å; A265-T349 WeakPolarHBondContact CA-O 3.49Å; S266-T349 PolarHBondContact N-O 3.27Å; S266-T349 PolarHBondContact O-N 2.6Å; S266-T349 PolarHBondContact OG-OG1 3.31Å; D288-T349 VanDerWaalsContact OD1-CA 3.26Å; D288-T349 WeakPolarHBondContact OD1-CA 3.04Å; T349-F351 WeakPolarHBondContact CB-O 3.5Å; T349-F351 PolarHBondContact OG1-O 3.48Å
350T78.8Confident74.1Confident3 Ų358.5 Ų58.52%0.01831%0.311CS..SBendtrans-82.3-3.4171.961.40000113.3F261 P262 D288 L289 Y325F261-T350 HydrophobicContact CE1-CG2 4.24Å; F261-T350 HydrophobicContact CZ-CG2 3.96Å; P262-T350 HydrophobicContact CB-CG2 4Å; P262-T350 HydrophobicContact CG-CG2 3.71Å; D288-T350 VanDerWaalsContact OD2-CB 3.31Å; D288-T350 WeakPolarHBondContact OD2-CB 3.39Å; D288-T350 WeakPolarHBondContact OD2-CG2 3.42Å; D288-T350 PolarHBondContact OD2-N 2.89Å; D288-T350 PolarHBondContact OD2-OG1 3.48Å; L289-T350 HydrophobicContact CB-CG2 4.14Å; Y325-T350 HydrophobicContact CD2-CG2 3.5Å; Y325-T350 HydrophobicContact CE2-CG2 3.41Å; Y325-T350 VanDerWaalsContact CE2-CG2 3.41Å
351F68.7Low74.3Confident117 Ų11752.4 Ų52.451%0.51327%0.27SS..SBendtrans-109125170.1-60.2-84.6000108.9D264 S266 T349 E353D264-F351 CarbonylContact O-C 3.53Å; S266-F351 PolarHBondContact OG-O 3.36Å; T349-F351 WeakPolarHBondContact CB-O 3.5Å; T349-F351 PolarHBondContact OG1-O 3.48Å; F351-E353 PolarHBondContact O-N 3.37Å
352S53.3Low74.4Confident56 Ų5646.5 Ų46.539%0.39225%0.245SC..  trans-67.7119.6168-173.40000108.3D264 L354D264-S352 PolarHBondContact O-N 2.93Å; S352-L354 PolarHBondContact O-N 3.08Å
353E47.5Very low74.2Confident116 Ų11646.3 Ų46.354%0.54224%0.239SC..  trans-62.5117.5160.4-69.2179.2176.100106.5R245 R287 F351R245-E353 IonicContact NH1-OE2 3.81Å; R245-E353 PolarHBondContact NH1-OE2 3.34Å; R287-E353 IonicContact NH1-OE1 2.78Å; F351-E353 PolarHBondContact O-N 3.37Å
354L35.1Very low73.4Confident235 Ų23550.5 Ų50.5100%1.2326%0.26SS*.  trans-97.50179.3-120158.1000109.6S352S352-L354 PolarHBondContact O-N 3.08Å

Retrieved 354 of 354 residues in 111.6 ms (Link to these results)