A0A096NXQ1_PAPAN Loading...

Tigger transposable element derived 2

AlphaFold DB (A0A2K5XSX5), UniProt , Accession A0A096NXQ1, Species PAPAN (Papio anubis, Olive baboon), Gene TIGD2, Length 525 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
1M37.4Very low61.9Low243 Ų243138 Ų138100%1.19767%0.67SS**  0120.80-67.6-158.8-160.800109G3M1-G3 PolarHBondContact O-N 3.27Å
2L41.9Very low63.4Low182 Ų182126.7 Ų126.795%0.95362%0.615SS**PPolyproline II helixtrans-65.1121.5174.9-79.3153.2000109.2K4L2-K4 PolarHBondContact O-N 3.26Å
3G45.3Very low64.8Low70 Ų70127.2 Ų127.272%0.72261%0.612SS**PPolyproline II helixtrans-53.8134.7-178.200000112.3M1 R5M1-G3 PolarHBondContact O-N 3.27Å; G3-R5 PolarHBondContact O-N 3.46Å; G3-R5 VanDerWaalsContact O-N 3.16Å
4K52.8Low66.1Low212 Ų212121.6 Ų121.692%0.92259%0.587SS**PPolyproline II helixtrans-55.2120.1176.6-76.7177.6177.4173.30109.4L2 K6L2-K4 PolarHBondContact O-N 3.26Å; K4-K6 PolarHBondContact O-N 3.36Å
5R59.6Low67.5Low198 Ų198116.2 Ų116.275%0.74756%0.56SS**PPolyproline II helixtrans-55.9135.5175.7-77.7-177.2-172.41673.7110.2G3 R7G3-R5 PolarHBondContact O-N 3.46Å; G3-R5 VanDerWaalsContact O-N 3.16Å; R5-R7 PolarHBondContact O-N 3.42Å
6K63.1Low68.6Low197 Ų197112.7 Ų112.786%0.85755%0.545SS*.PPolyproline II helixtrans-58.8133.9172.8-76.9-177.4177.8176.50109.6K4 V8K4-K6 PolarHBondContact O-N 3.36Å; K6-V8 PolarHBondContact O-N 3.44Å
7R71.9Confident69.8Low235 Ų235109.5 Ų109.589%0.88753%0.531SS*.  trans-69.2110.3179.4-177.4178.6-179.6169.21.9110.3R5R5-R7 PolarHBondContact O-N 3.42Å
8V75.2Confident70.8Confident72 Ų72103.4 Ų103.444%0.43650%0.502SS..  trans-91134.1173-179.50000109.7K6 L10 G36 I37K6-V8 PolarHBondContact O-N 3.44Å; V8-L10 HydrophobicContact CG1-CD2 4.36Å; V8-G36 WeakPolarHBondContact CG2-O 3.44Å; V8-I37 HydrophobicContact CB-CG2 4.14Å; V8-I37 HydrophobicContact CG1-CG2 4.17Å
9V75.3Confident71.8Confident75 Ų7598.4 Ų98.446%0.45548%0.477SS..  trans-116106.7177.9-174.10000109.2K69V9-K69 HydrophobicContact CB-CD 4.39Å; V9-K69 HydrophobicContact CG1-CB 4.02Å; V9-K69 HydrophobicContact CG1-CD 3.92Å; V9-K69 HydrophobicContact CG1-CG 4.4Å
10L78.1Confident72.7Confident14 Ų1499.6 Ų99.67%0.07348%0.48CS..  trans-73.9144.1-178.2-60.1171.7000112.6V8 D14 K15 I18 Y35 I37 I45V8-L10 HydrophobicContact CG1-CD2 4.36Å; L10-D14 HydrophobicContact CB-CB 4.18Å; L10-D14 HydrophobicContact CD2-CB 4.1Å; L10-K15 HydrophobicContact CB-CG 4.23Å; L10-K15 HydrophobicContact CD1-CG 4.39Å; L10-I18 HydrophobicContact CD1-CD1 3.82Å; L10-Y35 HydrophobicContact CD2-CD1 4.31Å; L10-I37 HydrophobicContact CD1-CD1 3.75Å; L10-I37 HydrophobicContact CD1-CG2 4.1Å; L10-I37 HydrophobicContact CD2-CG2 3.95Å; L10-I37 HydrophobicContact CG-CG2 4.07Å; L10-I45 HydrophobicContact CD1-CD1 3.54Å
11T79.9Confident73.4Confident20 Ų2097.3 Ų97.312%0.12347%0.468CS..  trans-77.1165.7168.166.40000111.5K13 D14 K15 R68 K69T11-K13 PolarHBondContact O-N 3.46Å; T11-D14 WeakPolarHBondContact CB-OD2 3.47Å; T11-D14 PolarHBondContact N-OD2 3.21Å; T11-D14 PolarHBondContact O-N 2.95Å; T11-D14 PolarHBondContact OG1-N 3.17Å; T11-D14 PolarHBondContact OG1-OD1 3.2Å; T11-D14 PolarHBondContact OG1-OD2 3.49Å; T11-K15 WeakPolarHBondContact O-CG 3.31Å; T11-K15 PolarHBondContact O-N 3.37Å; T11-K15 VanDerWaalsContact O-N 3.07Å; T11-R68 CarbonylContact C-O 3.52Å; T11-R68 VanDerWaalsContact CA-O 3.26Å; T11-R68 WeakPolarHBondContact CA-O 3.45Å; T11-K69 HydrophobicContact CG2-CG 3.97Å
12I80.1Confident75.8Confident2 Ų286.8 Ų86.81%0.0142%0.416CS..Hα-helixtrans-62-36.8172.2-64.7178.6000110.1K15 L16 Y55 V65 R68 M71I12-K15 PolarHBondContact O-N 2.99Å; I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 HydrophobicContact CG2-CG 4.5Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 2.96Å; I12-Y55 HydrophobicContact CD1-CD1 3.81Å; I12-Y55 HydrophobicContact CD1-CE1 3.44Å; I12-Y55 VanDerWaalsContact CD1-CE1 3.44Å; I12-V65 HydrophobicContact CG2-CG1 4.39Å; I12-R68 HydrophobicContact CD1-CB 3.94Å; I12-R68 HydrophobicContact CD1-CG 3.8Å; I12-R68 HydrophobicContact CG1-CB 4.44Å; I12-R68 PolarHBondContact N-O 3.21Å; I12-M71 HydrophobicContact CD1-CG 4.33Å
13K81.6Confident78Confident133 Ų13384.4 Ų84.458%0.57840%0.4SS*.Hα-helixtrans-59.1-47.3172.8-173.9-177.7179.1-178.30112T11 K15 L16 D17 S66T11-K13 PolarHBondContact O-N 3.46Å; K13-K15 VanDerWaalsContact C-N 3.27Å; K13-K15 PolarHBondContact O-N 3.42Å; K13-L16 PolarHBondContact O-N 3.31Å; K13-D17 WeakPolarHBondContact O-CB 3.42Å; K13-D17 PolarHBondContact O-N 2.95Å; K13-S66 WeakPolarHBondContact CB-O 3.17Å
14D83.3Confident80Confident49 Ų4986.7 Ų86.726%0.26239%0.392SS..Hα-helixtrans-62.4-37.5178.5-55.6-36.8000111.2L10 T11 D17 I18 Y35L10-D14 HydrophobicContact CB-CB 4.18Å; L10-D14 HydrophobicContact CD2-CB 4.1Å; T11-D14 WeakPolarHBondContact CB-OD2 3.47Å; T11-D14 PolarHBondContact N-OD2 3.21Å; T11-D14 PolarHBondContact O-N 2.95Å; T11-D14 PolarHBondContact OG1-N 3.17Å; T11-D14 PolarHBondContact OG1-OD1 3.2Å; T11-D14 PolarHBondContact OG1-OD2 3.49Å; D14-D17 PolarHBondContact O-N 3.12Å; D14-I18 WeakPolarHBondContact O-CB 3.43Å; D14-I18 WeakPolarHBondContact O-CD1 3.49Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.93Å; D14-Y35 HydrophobicContact CB-CD1 4.45Å; D14-Y35 HydrophobicContact CB-CE1 4.36Å
15K86.8Confident81.5Confident41 Ų4179.7 Ų79.718%0.17838%0.38CS..Hα-helixtrans-66.8-40.2176.5-67.8174.1-172178.20112.2L10 T11 I12 K13 I18 I19 I45 I52L10-K15 HydrophobicContact CB-CG 4.23Å; L10-K15 HydrophobicContact CD1-CG 4.39Å; T11-K15 WeakPolarHBondContact O-CG 3.31Å; T11-K15 PolarHBondContact O-N 3.37Å; T11-K15 VanDerWaalsContact O-N 3.07Å; I12-K15 PolarHBondContact O-N 2.99Å; K13-K15 VanDerWaalsContact C-N 3.27Å; K13-K15 PolarHBondContact O-N 3.42Å; K15-I18 PolarHBondContact O-N 3.12Å; K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.01Å; K15-I45 HydrophobicContact CB-CG2 4.37Å; K15-I45 HydrophobicContact CG-CD1 4.14Å; K15-I45 HydrophobicContact CG-CG1 4.33Å; K15-I52 HydrophobicContact CB-CD1 4.47Å; K15-I52 HydrophobicContact CB-CG2 4.23Å; K15-I52 HydrophobicContact CD-CD1 4.35Å
16L85.5Confident82.9Confident60 Ų6072.5 Ų72.531%0.31436%0.356SS..Hα-helixtrans-66.3-40.3175.1-69.3171.1000111.7I12 K13 I19 K20 I52 I53 A56I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 HydrophobicContact CG2-CG 4.5Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 2.96Å; K13-L16 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 3.32Å; L16-K20 PolarHBondContact O-N 3.5Å; L16-I52 HydrophobicContact CD2-CG2 3.98Å; L16-I52 HydrophobicContact CG-CG2 4.38Å; L16-I53 HydrophobicContact CD2-CG1 4.14Å; L16-A56 HydrophobicContact CD1-CB 3.84Å; L16-A56 HydrophobicContact CD2-CB 4.32Å
17D87.9Confident84.1Confident59 Ų5966.3 Ų66.332%0.31634%0.337SS..Hα-helixtrans-65.2-39.1175.5-171.139.6000111.7K13 D14 K20 K21 Y35K13-D17 WeakPolarHBondContact O-CB 3.42Å; K13-D17 PolarHBondContact O-N 2.95Å; D14-D17 PolarHBondContact O-N 3.12Å; D17-K20 PolarHBondContact O-N 3.43Å; D17-K21 WeakPolarHBondContact O-CB 3.46Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 3.32Å; D17-K21 WeakPolarHBondContact OD1-CE 3.31Å; D17-K21 IonicContact OD1-NZ 3.48Å; D17-K21 PolarHBondContact OD1-NZ 3.04Å; D17-K21 IonicContact OD2-NZ 2.81Å; D17-K21 PolarHBondContact OD2-NZ 3.44Å; D17-Y35 VanDerWaalsContact CG-OH 3.28Å; D17-Y35 PolarHBondContact OD2-OH 2.75Å
18I88.5Confident84.8Confident0 Ų058 Ų580%031%0.308CS..Hα-helixtrans-61.9-42.7171.4-72.1164.5000111.2L10 D14 K15 K21 L22 L31 Y35 I37 V42 I45L10-I18 HydrophobicContact CD1-CD1 3.82Å; D14-I18 WeakPolarHBondContact O-CB 3.43Å; D14-I18 WeakPolarHBondContact O-CD1 3.49Å; D14-I18 WeakPolarHBondContact O-CG1 3.39Å; D14-I18 PolarHBondContact O-N 2.93Å; K15-I18 PolarHBondContact O-N 3.12Å; I18-K21 PolarHBondContact O-N 3.04Å; I18-L22 HydrophobicContact CG2-CD1 3.95Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.44Å; I18-L22 PolarHBondContact O-N 3.03Å; I18-L31 HydrophobicContact CG2-CD1 4.4Å; I18-Y35 HydrophobicContact CD1-CD1 4.02Å; I18-Y35 HydrophobicContact CD1-CD2 4.04Å; I18-Y35 HydrophobicContact CD1-CE1 4.28Å; I18-Y35 HydrophobicContact CD1-CE2 4.32Å; I18-Y35 HydrophobicContact CD1-CG 3.89Å; I18-Y35 HydrophobicContact CG1-CD1 4.17Å; I18-Y35 HydrophobicContact CG1-CD2 3.77Å; I18-Y35 HydrophobicContact CG1-CE1 3.97Å; I18-Y35 HydrophobicContact CG1-CE2 3.58Å; I18-Y35 HydrophobicContact CG1-CG 4.07Å; I18-I37 HydrophobicContact CD1-CD1 3.85Å; I18-V42 HydrophobicContact CG2-CG1 4.08Å; I18-I45 HydrophobicContact CB-CG2 4.49Å; I18-I45 HydrophobicContact CD1-CD1 3.91Å; I18-I45 HydrophobicContact CG2-CD1 4.43Å; I18-I45 HydrophobicContact CG2-CG2 4Å
19I89.2Confident85.2Confident8 Ų861.7 Ų61.74%0.04132%0.318CS..Hα-helixtrans-62.3-48.6177.8-70162.7000110.3K15 L16 K21 L22 E23 I45 K49 I52 I53K15-I19 VanDerWaalsContact O-CG1 3.26Å; K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.01Å; L16-I19 PolarHBondContact O-N 3.32Å; I19-K21 PolarHBondContact O-N 2.79Å; I19-L22 WeakPolarHBondContact O-CB 3.41Å; I19-L22 PolarHBondContact O-N 3.01Å; I19-L22 VanDerWaalsContact O-N 3.14Å; I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.25Å; I19-I45 HydrophobicContact CD1-CG2 4.27Å; I19-I45 HydrophobicContact CG1-CG2 3.87Å; I19-K49 HydrophobicContact CD1-CB 4.09Å; I19-K49 HydrophobicContact CG1-CB 4.3Å; I19-K49 HydrophobicContact CG2-CB 4.41Å; I19-I52 HydrophobicContact CD1-CB 4.13Å; I19-I52 HydrophobicContact CD1-CD1 4.25Å; I19-I52 HydrophobicContact CD1-CG2 4.03Å; I19-I53 HydrophobicContact CG2-CD1 4.41Å
20K89.6Confident85.7Confident122 Ų12264.4 Ų64.453%0.5332%0.324SS..Hα-helixtrans-57.5-47.6177.8-171.9-177178.7-172.80111.8L16 D17 L22 E23 E24L16-K20 PolarHBondContact O-N 3.5Å; D17-K20 PolarHBondContact O-N 3.43Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 2.93Å; K20-E23 WeakPolarHBondContact O-CB 3.39Å; K20-E23 PolarHBondContact O-N 2.97Å; K20-E23 VanDerWaalsContact O-N 3.1Å; K20-E24 VanDerWaalsContact CE-OE1 3.22Å; K20-E24 WeakPolarHBondContact CE-OE1 3.17Å; K20-E24 WeakPolarHBondContact O-CG 3.41Å; K20-E24 PolarHBondContact O-N 3.48Å
21K88Confident86.1Confident52 Ų5263.9 Ų63.923%0.22632%0.321CS..Hα-helixtrans-65.2-30.7178-76.7174.3-177.8163.20113.6D17 I18 I19 I26 L31 Y35D17-K21 WeakPolarHBondContact O-CB 3.46Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 3.32Å; D17-K21 WeakPolarHBondContact OD1-CE 3.31Å; D17-K21 IonicContact OD1-NZ 3.48Å; D17-K21 PolarHBondContact OD1-NZ 3.04Å; D17-K21 IonicContact OD2-NZ 2.81Å; D17-K21 PolarHBondContact OD2-NZ 3.44Å; I18-K21 PolarHBondContact O-N 3.04Å; I19-K21 PolarHBondContact O-N 2.79Å; K21-I26 HydrophobicContact CB-CB 4.48Å; K21-I26 HydrophobicContact CB-CD1 3.89Å; K21-I26 HydrophobicContact CB-CG1 4.39Å; K21-I26 HydrophobicContact CD-CD1 4.36Å; K21-I26 HydrophobicContact CG-CD1 3.93Å; K21-I26 WeakPolarHBondContact O-CB 3.49Å; K21-I26 VanDerWaalsContact O-CG1 3.29Å; K21-I26 WeakPolarHBondContact O-CG1 3.44Å; K21-I26 PolarHBondContact O-N 2.96Å; K21-L31 HydrophobicContact CB-CD1 4.41Å; K21-L31 HydrophobicContact CB-CD2 3.83Å; K21-L31 HydrophobicContact CD-CD2 3.98Å; K21-Y35 WeakPolarHBondContact CD-OH 3.44Å; K21-Y35 PolarHBondContact NZ-OH 3.12Å
22L88.5Confident86.3Confident22 Ų2263.4 Ų63.412%0.11532%0.318CS..Hα-helixtrans-69.9-34.8172.5-76.8168.5000111.9I18 I19 K20 G25 F28 L31 V42 K46I18-L22 HydrophobicContact CG2-CD1 3.95Å; I18-L22 HydrophobicContact CG2-CG 4.44Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 VanDerWaalsContact O-CG 3.24Å; I18-L22 WeakPolarHBondContact O-CG 3.44Å; I18-L22 PolarHBondContact O-N 3.03Å; I19-L22 WeakPolarHBondContact O-CB 3.41Å; I19-L22 PolarHBondContact O-N 3.01Å; I19-L22 VanDerWaalsContact O-N 3.14Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 2.93Å; L22-G25 PolarHBondContact O-N 3.47Å; L22-F28 HydrophobicContact CD1-CE1 4.49Å; L22-F28 HydrophobicContact CD2-CD1 3.82Å; L22-F28 HydrophobicContact CD2-CE1 3.65Å; L22-F28 HydrophobicContact CD2-CZ 4.3Å; L22-L31 HydrophobicContact CD1-CD1 4.5Å; L22-L31 HydrophobicContact CD2-CD1 3.49Å; L22-L31 VanDerWaalsContact CD2-CD1 3.49Å; L22-L31 HydrophobicContact CG-CD1 3.54Å; L22-V42 HydrophobicContact CD1-CG1 4.14Å; L22-V42 HydrophobicContact CD2-CG1 4.22Å; L22-K46 HydrophobicContact CD1-CB 3.91Å; L22-K46 HydrophobicContact CD1-CD 4.41Å; L22-K46 HydrophobicContact CD1-CG 4.24Å
23E87.1Confident86.5Confident132 Ų13268.8 Ų68.862%0.61735%0.351SS*.Hα-helixtrans-71.9-32.9175.4-69.7174170.400111.8I19 K20 G25I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.25Å; K20-E23 WeakPolarHBondContact O-CB 3.39Å; K20-E23 PolarHBondContact O-N 2.97Å; K20-E23 VanDerWaalsContact O-N 3.1Å; E23-G25 PolarHBondContact O-N 3.45Å
24E88.1Confident86.6Confident118 Ų11866.8 Ų66.855%0.55135%0.35SS*.THydrogen-bonded Turntrans-711.4169.9-67.6168.4-176.800113.5K20K20-E24 VanDerWaalsContact CE-OE1 3.22Å; K20-E24 WeakPolarHBondContact CE-OE1 3.17Å; K20-E24 WeakPolarHBondContact O-CG 3.41Å; K20-E24 PolarHBondContact O-N 3.48Å
25G85.3Confident86.5Confident65 Ų6566.1 Ų66.167%0.6734%0.344SS*.THydrogen-bonded Turntrans8612.6174.500000115.5L22 E23L22-G25 PolarHBondContact O-N 3.47Å; E23-G25 PolarHBondContact O-N 3.45Å
26I88.8Confident86.3Confident47 Ų4766.3 Ų66.324%0.24136%0.357CS..  trans-70.6133.6177.7-55.5-171.9000110.7K21 K30 L31K21-I26 HydrophobicContact CB-CB 4.48Å; K21-I26 HydrophobicContact CB-CD1 3.89Å; K21-I26 HydrophobicContact CB-CG1 4.39Å; K21-I26 HydrophobicContact CD-CD1 4.36Å; K21-I26 HydrophobicContact CG-CD1 3.93Å; K21-I26 WeakPolarHBondContact O-CB 3.49Å; K21-I26 VanDerWaalsContact O-CG1 3.29Å; K21-I26 WeakPolarHBondContact O-CG1 3.44Å; K21-I26 PolarHBondContact O-N 2.96Å; I26-K30 HydrophobicContact CG2-CB 3.98Å; I26-K30 HydrophobicContact CG2-CD 3.99Å; I26-K30 HydrophobicContact CG2-CG 4.12Å; I26-L31 HydrophobicContact CB-CD1 4.46Å; I26-L31 HydrophobicContact CB-CD2 4.49Å; I26-L31 HydrophobicContact CB-CG 4.42Å; I26-L31 HydrophobicContact CG2-CD1 4.39Å; I26-L31 HydrophobicContact CG2-CD2 3.98Å; I26-L31 HydrophobicContact CG2-CG 3.86Å
27S87.6Confident86.3Confident66 Ų6663.9 Ų63.946%0.46235%0.345SS..  trans-69148.3-177.3740000113.6K29 K30 L31S27-K29 PolarHBondContact O-N 3.19Å; S27-K30 PolarHBondContact O-N 3.03Å; S27-L31 PolarHBondContact O-N 3.41Å; S27-L31 VanDerWaalsContact O-N 3.17Å
28F85.9Confident86.3Confident60 Ų6062 Ų6226%0.26334%0.339SS..Hα-helixtrans-54.7-39.1178.3-62.9-75.5000113.1L22 L31 S32 V42 R43 K46L22-F28 HydrophobicContact CD1-CE1 4.49Å; L22-F28 HydrophobicContact CD2-CD1 3.82Å; L22-F28 HydrophobicContact CD2-CE1 3.65Å; L22-F28 HydrophobicContact CD2-CZ 4.3Å; F28-L31 PolarHBondContact O-N 3.17Å; F28-S32 WeakPolarHBondContact O-CB 3.3Å; F28-S32 PolarHBondContact O-N 3.22Å; F28-V42 HydrophobicContact CD1-CB 4.14Å; F28-V42 HydrophobicContact CD1-CG1 3.67Å; F28-V42 HydrophobicContact CE1-CG1 4.38Å; F28-R43 HydrophobicContact CD1-CG 4.08Å; F28-R43 HydrophobicContact CE1-CG 4.08Å; F28-K46 HydrophobicContact CE1-CD 3.82Å; F28-K46 HydrophobicContact CZ-CD 3.67Å
29K84.7Confident86Confident150 Ų15065.5 Ų65.565%0.65236%0.356SS*.Hα-helixtrans-63.2-41.4178.7-171.2174.2-176.6-179.80111.6S27 S32 V33S27-K29 PolarHBondContact O-N 3.19Å; K29-S32 PolarHBondContact O-N 2.91Å; K29-V33 WeakPolarHBondContact O-CG2 3.47Å; K29-V33 PolarHBondContact O-N 3.17Å
30K85Confident85.8Confident133 Ų13368.8 Ų68.858%0.57838%0.379SS*.Hα-helixtrans-67.7-42.3178.7-168.8167.3177.4-176.50111.3I26 S27 V33 V34I26-K30 HydrophobicContact CG2-CB 3.98Å; I26-K30 HydrophobicContact CG2-CD 3.99Å; I26-K30 HydrophobicContact CG2-CG 4.12Å; S27-K30 PolarHBondContact O-N 3.03Å; K30-V33 PolarHBondContact O-N 3.38Å; K30-V34 VanDerWaalsContact O-CG2 3.25Å; K30-V34 WeakPolarHBondContact O-CG2 3.49Å; K30-V34 PolarHBondContact O-N 3.02Å
31L85.9Confident85.5Confident2 Ų265.7 Ų65.71%0.0137%0.371CS..Hα-helixtrans-69.5-35.2177-64.6171.4000112.8I18 K21 L22 I26 S27 F28 V33 V34 Y35 V42I18-L31 HydrophobicContact CG2-CD1 4.4Å; K21-L31 HydrophobicContact CB-CD1 4.41Å; K21-L31 HydrophobicContact CB-CD2 3.83Å; K21-L31 HydrophobicContact CD-CD2 3.98Å; L22-L31 HydrophobicContact CD1-CD1 4.5Å; L22-L31 HydrophobicContact CD2-CD1 3.49Å; L22-L31 VanDerWaalsContact CD2-CD1 3.49Å; L22-L31 HydrophobicContact CG-CD1 3.54Å; I26-L31 HydrophobicContact CB-CD1 4.46Å; I26-L31 HydrophobicContact CB-CD2 4.49Å; I26-L31 HydrophobicContact CB-CG 4.42Å; I26-L31 HydrophobicContact CG2-CD1 4.39Å; I26-L31 HydrophobicContact CG2-CD2 3.98Å; I26-L31 HydrophobicContact CG2-CG 3.86Å; S27-L31 PolarHBondContact O-N 3.41Å; S27-L31 VanDerWaalsContact O-N 3.17Å; F28-L31 PolarHBondContact O-N 3.17Å; L31-V33 VanDerWaalsContact C-N 3.28Å; L31-V33 PolarHBondContact O-N 3.5Å; L31-V34 PolarHBondContact O-N 2.98Å; L31-Y35 HydrophobicContact CD2-CD2 4.41Å; L31-Y35 HydrophobicContact CD2-CE2 3.85Å; L31-Y35 WeakPolarHBondContact O-CD2 3.26Å; L31-Y35 PolarHBondContact O-N 3.32Å; L31-Y35 VanDerWaalsContact O-N 3.09Å; L31-V42 HydrophobicContact CB-CG1 4.12Å; L31-V42 HydrophobicContact CB-CG2 4.37Å; L31-V42 HydrophobicContact CD1-CG1 4.19Å
32S85.5Confident85.4Confident10 Ų1063.2 Ų63.27%0.0736%0.36CS..Hα-helixtrans-57.5-42.7173.3172.30000111.7F28 K29 G36 I37F28-S32 WeakPolarHBondContact O-CB 3.3Å; F28-S32 PolarHBondContact O-N 3.22Å; K29-S32 PolarHBondContact O-N 2.91Å; S32-G36 WeakPolarHBondContact O-CA 3.23Å; S32-G36 PolarHBondContact O-N 3.48Å; S32-G36 VanDerWaalsContact O-N 3.13Å; S32-I37 CarbonylContact C-O 3.36Å; S32-I37 WeakPolarHBondContact CA-O 3.28Å; S32-I37 WeakPolarHBondContact CB-O 3.26Å; S32-I37 PolarHBondContact O-N 3.04Å; S32-I37 VanDerWaalsContact O-O 3.1Å; S32-I37 PolarHBondContact OG-O 3.43Å
33V84Confident85.4Confident115 Ų11569.1 Ų69.170%0.69738%0.381SS*.Hα-helixtrans-71.3-48.1177.5176.20000111.6K29 K30 L31 Y35 G36K29-V33 WeakPolarHBondContact O-CG2 3.47Å; K29-V33 PolarHBondContact O-N 3.17Å; K30-V33 PolarHBondContact O-N 3.38Å; L31-V33 VanDerWaalsContact C-N 3.28Å; L31-V33 PolarHBondContact O-N 3.5Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 3.25Å; V33-G36 PolarHBondContact O-N 2.96Å
34V84Confident85.3Confident92 Ų9267 Ų6756%0.55837%0.374SS*.Hα-helixtrans-59.9-40.4-176.31700000112.5K30 L31K30-V34 VanDerWaalsContact O-CG2 3.25Å; K30-V34 WeakPolarHBondContact O-CG2 3.49Å; K30-V34 PolarHBondContact O-N 3.02Å; L31-V34 PolarHBondContact O-N 2.98Å
35Y81.6Confident85.3Confident35 Ų3561.9 Ų61.914%0.13735%0.35CS..THydrogen-bonded Turntrans-98.90.6-178.2-65.1-92.9000113.5L10 D14 D17 I18 K21 L31 V33 I37L10-Y35 HydrophobicContact CD2-CD1 4.31Å; D14-Y35 HydrophobicContact CB-CD1 4.45Å; D14-Y35 HydrophobicContact CB-CE1 4.36Å; D17-Y35 VanDerWaalsContact CG-OH 3.28Å; D17-Y35 PolarHBondContact OD2-OH 2.75Å; I18-Y35 HydrophobicContact CD1-CD1 4.02Å; I18-Y35 HydrophobicContact CD1-CD2 4.04Å; I18-Y35 HydrophobicContact CD1-CE1 4.28Å; I18-Y35 HydrophobicContact CD1-CE2 4.32Å; I18-Y35 HydrophobicContact CD1-CG 3.89Å; I18-Y35 HydrophobicContact CG1-CD1 4.17Å; I18-Y35 HydrophobicContact CG1-CD2 3.77Å; I18-Y35 HydrophobicContact CG1-CE1 3.97Å; I18-Y35 HydrophobicContact CG1-CE2 3.58Å; I18-Y35 HydrophobicContact CG1-CG 4.07Å; K21-Y35 WeakPolarHBondContact CD-OH 3.44Å; K21-Y35 PolarHBondContact NZ-OH 3.12Å; L31-Y35 HydrophobicContact CD2-CD2 4.41Å; L31-Y35 HydrophobicContact CD2-CE2 3.85Å; L31-Y35 WeakPolarHBondContact O-CD2 3.26Å; L31-Y35 PolarHBondContact O-N 3.32Å; L31-Y35 VanDerWaalsContact O-N 3.09Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 3.25Å; Y35-I37 VanDerWaalsContact C-N 3.3Å; Y35-I37 PolarHBondContact O-N 2.74Å
36G82.4Confident85.5Confident44 Ų4463.7 Ų63.745%0.45434%0.339SS..THydrogen-bonded Turntrans62.932.1-179.600000114.3V8 S32 V33V8-G36 WeakPolarHBondContact CG2-O 3.44Å; S32-G36 WeakPolarHBondContact O-CA 3.23Å; S32-G36 PolarHBondContact O-N 3.48Å; S32-G36 VanDerWaalsContact O-N 3.13Å; V33-G36 PolarHBondContact O-N 2.96Å
37I85.8Confident85.5Confident9 Ų970 Ų705%0.04637%0.365CS..  trans-115.7164.4-176.861-174.4000111.5V8 L10 I18 S32 Y35 T41 V42 I45V8-I37 HydrophobicContact CB-CG2 4.14Å; V8-I37 HydrophobicContact CG1-CG2 4.17Å; L10-I37 HydrophobicContact CD1-CD1 3.75Å; L10-I37 HydrophobicContact CD1-CG2 4.1Å; L10-I37 HydrophobicContact CD2-CG2 3.95Å; L10-I37 HydrophobicContact CG-CG2 4.07Å; I18-I37 HydrophobicContact CD1-CD1 3.85Å; S32-I37 CarbonylContact C-O 3.36Å; S32-I37 WeakPolarHBondContact CA-O 3.28Å; S32-I37 WeakPolarHBondContact CB-O 3.26Å; S32-I37 PolarHBondContact O-N 3.04Å; S32-I37 VanDerWaalsContact O-O 3.1Å; S32-I37 PolarHBondContact OG-O 3.43Å; Y35-I37 VanDerWaalsContact C-N 3.3Å; Y35-I37 PolarHBondContact O-N 2.74Å; I37-T41 HydrophobicContact CB-CG2 4.46Å; I37-T41 HydrophobicContact CD1-CG2 4.43Å; I37-V42 HydrophobicContact CD1-CG2 3.74Å; I37-V42 HydrophobicContact CG1-CG2 3.92Å; I37-I45 HydrophobicContact CD1-CD1 4.46Å
38G85.9Confident85.4Confident20 Ų2069.8 Ų69.821%0.20636%0.359CS..  trans-72.6149.117400000112.5S40 T41 V42G38-S40 PolarHBondContact O-N 3.34Å; G38-T41 WeakPolarHBondContact O-CA 3.45Å; G38-T41 VanDerWaalsContact O-CB 3.27Å; G38-T41 WeakPolarHBondContact O-CB 3.45Å; G38-T41 PolarHBondContact O-N 2.83Å; G38-V42 PolarHBondContact O-N 2.66Å
39E82.6Confident85.5Confident73 Ų7370.7 Ų70.734%0.34136%0.362SS..Hα-helixtrans-58.4-32.9175.5-69.1-172.8-161.600112.6T41 V42 R43E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 3.1Å; E39-V42 PolarHBondContact O-N 3.04Å; E39-R43 PolarHBondContact O-N 2.95Å
40S84.9Confident85.4Confident77 Ų7769.7 Ų69.754%0.53836%0.36SS..Hα-helixtrans-58.5-42.4171.751.90000111.9G38 V42 R43 D44G38-S40 PolarHBondContact O-N 3.34Å; S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 3.44Å; S40-R43 PolarHBondContact O-N 3.38Å; S40-D44 VanDerWaalsContact O-CG 3.24Å; S40-D44 PolarHBondContact O-N 3.08Å
41T84.2Confident85.3Confident57 Ų5771 Ų7135%0.3536%0.361SS..Hα-helixtrans-63.5-37.9176.8-48.90000112I37 G38 E39 D44 I45I37-T41 HydrophobicContact CB-CG2 4.46Å; I37-T41 HydrophobicContact CD1-CG2 4.43Å; G38-T41 WeakPolarHBondContact O-CA 3.45Å; G38-T41 VanDerWaalsContact O-CB 3.27Å; G38-T41 WeakPolarHBondContact O-CB 3.45Å; G38-T41 PolarHBondContact O-N 2.83Å; E39-T41 VanDerWaalsContact C-N 3.31Å; E39-T41 PolarHBondContact O-N 3.1Å; T41-D44 PolarHBondContact O-N 3.41Å; T41-I45 HydrophobicContact CG2-CD1 4.28Å; T41-I45 WeakPolarHBondContact O-CD1 3.47Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.28Å; T41-I45 PolarHBondContact O-N 2.69Å
42V86.4Confident85.1Confident0 Ų071.2 Ų71.20%036%0.362CS..Hα-helixtrans-65.5-42175.1-169.50000110.6I18 L22 F28 L31 I37 G38 E39 S40 I45 K46I18-V42 HydrophobicContact CG2-CG1 4.08Å; L22-V42 HydrophobicContact CD1-CG1 4.14Å; L22-V42 HydrophobicContact CD2-CG1 4.22Å; F28-V42 HydrophobicContact CD1-CB 4.14Å; F28-V42 HydrophobicContact CD1-CG1 3.67Å; F28-V42 HydrophobicContact CE1-CG1 4.38Å; L31-V42 HydrophobicContact CB-CG1 4.12Å; L31-V42 HydrophobicContact CB-CG2 4.37Å; L31-V42 HydrophobicContact CD1-CG1 4.19Å; I37-V42 HydrophobicContact CD1-CG2 3.74Å; I37-V42 HydrophobicContact CG1-CG2 3.92Å; G38-V42 PolarHBondContact O-N 2.66Å; E39-V42 PolarHBondContact O-N 3.04Å; S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 3.44Å; V42-I45 PolarHBondContact O-N 3.07Å; V42-K46 PolarHBondContact O-N 3.16Å
43R87.8Confident84.9Confident147 Ų14773.2 Ų73.256%0.55537%0.372SS*.Hα-helixtrans-63.9-40.2175.1-68.7-176.7-159.8-167.65.7112.1F28 E39 S40 I45 K46 K47F28-R43 HydrophobicContact CD1-CG 4.08Å; F28-R43 HydrophobicContact CE1-CG 4.08Å; E39-R43 PolarHBondContact O-N 2.95Å; S40-R43 PolarHBondContact O-N 3.38Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.12Å; R43-K46 WeakPolarHBondContact O-CB 3.44Å; R43-K46 PolarHBondContact O-N 3.27Å; R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 PolarHBondContact O-N 3.37Å
44D85.9Confident84.7Confident88 Ų8872.7 Ų72.747%0.47137%0.365SS..Hα-helixtrans-65.8-36.8177.2-68.8-24.9000112.4S40 T41 K47 N48S40-D44 VanDerWaalsContact O-CG 3.24Å; S40-D44 PolarHBondContact O-N 3.08Å; T41-D44 PolarHBondContact O-N 3.41Å; D44-K47 PolarHBondContact O-N 3.07Å; D44-N48 PolarHBondContact O-N 3.44Å; D44-N48 VanDerWaalsContact O-N 3.07Å; D44-N48 PolarHBondContact O-ND2 3.17Å
45I87.6Confident84.2Confident9 Ų970.5 Ų70.55%0.04635%0.347CS..Hα-helixtrans-64-45.3173.1-69.4163.8000110.1L10 K15 I18 I19 I37 T41 V42 R43 K47 N48 K49 I52L10-I45 HydrophobicContact CD1-CD1 3.54Å; K15-I45 HydrophobicContact CB-CG2 4.37Å; K15-I45 HydrophobicContact CG-CD1 4.14Å; K15-I45 HydrophobicContact CG-CG1 4.33Å; I18-I45 HydrophobicContact CB-CG2 4.49Å; I18-I45 HydrophobicContact CD1-CD1 3.91Å; I18-I45 HydrophobicContact CG2-CD1 4.43Å; I18-I45 HydrophobicContact CG2-CG2 4Å; I19-I45 HydrophobicContact CD1-CG2 4.27Å; I19-I45 HydrophobicContact CG1-CG2 3.87Å; I37-I45 HydrophobicContact CD1-CD1 4.46Å; T41-I45 HydrophobicContact CG2-CD1 4.28Å; T41-I45 WeakPolarHBondContact O-CD1 3.47Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.28Å; T41-I45 PolarHBondContact O-N 2.69Å; V42-I45 PolarHBondContact O-N 3.07Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.12Å; I45-K47 VanDerWaalsContact C-N 3.34Å; I45-K47 PolarHBondContact O-N 2.92Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.07Å; I45-K49 PolarHBondContact O-N 3.14Å; I45-I52 HydrophobicContact CG2-CD1 4.19Å
46K88.9Confident83.7Confident103 Ų10369.8 Ų69.845%0.44835%0.349SS..Hα-helixtrans-59.7-43.1175.4-168.9177180174.60111.9L22 F28 V42 R43 N48 K49L22-K46 HydrophobicContact CD1-CB 3.91Å; L22-K46 HydrophobicContact CD1-CD 4.41Å; L22-K46 HydrophobicContact CD1-CG 4.24Å; F28-K46 HydrophobicContact CE1-CD 3.82Å; F28-K46 HydrophobicContact CZ-CD 3.67Å; V42-K46 PolarHBondContact O-N 3.16Å; R43-K46 WeakPolarHBondContact O-CB 3.44Å; R43-K46 PolarHBondContact O-N 3.27Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 2.99Å; K46-K49 WeakPolarHBondContact O-CB 3.39Å; K46-K49 PolarHBondContact O-N 3.41Å
47K89.2Confident83.2Confident179 Ų17973.7 Ų73.778%0.77836%0.359SS*.Hα-helixtrans-64-34.1179-172177.3179.4-1800112.4R43 D44 I45R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 PolarHBondContact O-N 3.37Å; D44-K47 PolarHBondContact O-N 3.07Å; I45-K47 VanDerWaalsContact C-N 3.34Å; I45-K47 PolarHBondContact O-N 2.92Å
48N85.8Confident82.1Confident62 Ų6277.7 Ų77.733%0.33239%0.388SS..THydrogen-bonded Turntrans-97.417.5-180-67.2-66.9000113.6D44 I45 K46 E50 R51 I52D44-N48 PolarHBondContact O-N 3.44Å; D44-N48 VanDerWaalsContact O-N 3.07Å; D44-N48 PolarHBondContact O-ND2 3.17Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.07Å; K46-N48 VanDerWaalsContact C-N 3.29Å; K46-N48 PolarHBondContact O-N 2.99Å; N48-E50 PolarHBondContact O-N 3.22Å; N48-R51 PolarHBondContact O-N 3.04Å; N48-I52 HydrophobicContact CB-CD1 4.16Å; N48-I52 HydrophobicContact CB-CG1 4.5Å; N48-I52 WeakPolarHBondContact O-CG1 3.3Å; N48-I52 PolarHBondContact O-N 3.06Å; N48-I52 VanDerWaalsContact O-N 3.09Å
49K86.8Confident80.8Confident79 Ų7978.2 Ų78.234%0.34339%0.388SS..Hα-helixtrans-53.4-48.7-170.874.1-178.9-173.2162.50113I19 I45 K46 R51 I52 I53I19-K49 HydrophobicContact CD1-CB 4.09Å; I19-K49 HydrophobicContact CG1-CB 4.3Å; I19-K49 HydrophobicContact CG2-CB 4.41Å; I45-K49 PolarHBondContact O-N 3.14Å; K46-K49 WeakPolarHBondContact O-CB 3.39Å; K46-K49 PolarHBondContact O-N 3.41Å; K49-R51 VanDerWaalsContact C-N 3.34Å; K49-R51 PolarHBondContact O-N 3.49Å; K49-I52 PolarHBondContact O-N 3.21Å; K49-I52 VanDerWaalsContact O-N 3.14Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 2.92Å
50E83.9Confident79.4Confident130 Ų13079.7 Ų79.761%0.60740%0.399SS*.Hα-helixtrans-66.8-39.9-174.1-68.5171.7-167.300110.8N48 I52 I53 N54N48-E50 PolarHBondContact O-N 3.22Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.34Å; E50-I53 PolarHBondContact O-N 3.03Å; E50-N54 WeakPolarHBondContact O-CB 3.46Å; E50-N54 PolarHBondContact O-N 3.44Å; E50-N54 PolarHBondContact O-ND2 2.93Å
51R82.3Confident77.7Confident160 Ų16082.1 Ų82.160%0.60441%0.413SS*.Hα-helixtrans-65.1-35.7175.9-160.3176.375.1166.70.5112.3N48 K49 Y55 M71N48-R51 PolarHBondContact O-N 3.04Å; K49-R51 VanDerWaalsContact C-N 3.34Å; K49-R51 PolarHBondContact O-N 3.49Å; R51-Y55 WeakPolarHBondContact O-CB 3.4Å; R51-Y55 PolarHBondContact O-N 3.4Å; R51-M71 HydrophobicContact CB-CE 4.47Å; R51-M71 HydrophobicContact CG-CE 3.96Å; R51-M71 WeakPolarHBondContact O-CE 3.44Å
52I82.3Confident75.8Confident6 Ų684.5 Ų84.53%0.03143%0.427CS..Hα-helixtrans-72.3-41.2178.2-65.4164.6000110.5K15 L16 I19 I45 N48 K49 E50 A56 M71K15-I52 HydrophobicContact CB-CD1 4.47Å; K15-I52 HydrophobicContact CB-CG2 4.23Å; K15-I52 HydrophobicContact CD-CD1 4.35Å; L16-I52 HydrophobicContact CD2-CG2 3.98Å; L16-I52 HydrophobicContact CG-CG2 4.38Å; I19-I52 HydrophobicContact CD1-CB 4.13Å; I19-I52 HydrophobicContact CD1-CD1 4.25Å; I19-I52 HydrophobicContact CD1-CG2 4.03Å; I45-I52 HydrophobicContact CG2-CD1 4.19Å; N48-I52 HydrophobicContact CB-CD1 4.16Å; N48-I52 HydrophobicContact CB-CG1 4.5Å; N48-I52 WeakPolarHBondContact O-CG1 3.3Å; N48-I52 PolarHBondContact O-N 3.06Å; N48-I52 VanDerWaalsContact O-N 3.09Å; K49-I52 PolarHBondContact O-N 3.21Å; K49-I52 VanDerWaalsContact O-N 3.14Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 3.34Å; I52-A56 WeakPolarHBondContact O-CB 3.47Å; I52-A56 PolarHBondContact O-N 3.33Å; I52-M71 HydrophobicContact CG1-CE 4.23Å; I52-M71 HydrophobicContact CG1-SD 3.84Å
53I80.6Confident74.2Confident53 Ų5386.4 Ų86.427%0.27244%0.441SS..Hα-helixtrans-66.6-50177.8-67.6166.5000110.7L16 I19 K49 E50 Y55 A56 N57L16-I53 HydrophobicContact CD2-CG1 4.14Å; I19-I53 HydrophobicContact CG2-CD1 4.41Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 2.92Å; E50-I53 PolarHBondContact O-N 3.03Å; I53-Y55 VanDerWaalsContact C-N 3.26Å; I53-Y55 PolarHBondContact O-N 3.08Å; I53-A56 WeakPolarHBondContact O-CB 3.46Å; I53-A56 PolarHBondContact O-N 2.98Å; I53-N57 VanDerWaalsContact O-CG 3.3Å; I53-N57 PolarHBondContact O-N 3.14Å
54N79.6Confident72.6Confident104 Ų10480.7 Ų80.756%0.55643%0.428SS*.Hα-helixtrans-61-37.1179.4-69.2-8.8000111.9E50 N57 S58E50-N54 WeakPolarHBondContact O-CB 3.46Å; E50-N54 PolarHBondContact O-N 3.44Å; E50-N54 PolarHBondContact O-ND2 2.93Å; N54-N57 PolarHBondContact O-N 3.08Å; N54-S58 WeakPolarHBondContact O-CB 3.49Å; N54-S58 PolarHBondContact O-N 3.43Å; N54-S58 PolarHBondContact O-OG 3.4Å
55Y73Confident71.2Confident45 Ų4577.8 Ų77.818%0.17641%0.413CS..Hα-helixtrans-67-39.4174.6-175.4-83.6000112.6I12 R51 I53 N57 S58 S59 R68 M71I12-Y55 HydrophobicContact CD1-CD1 3.81Å; I12-Y55 HydrophobicContact CD1-CE1 3.44Å; I12-Y55 VanDerWaalsContact CD1-CE1 3.44Å; R51-Y55 WeakPolarHBondContact O-CB 3.4Å; R51-Y55 PolarHBondContact O-N 3.4Å; I53-Y55 VanDerWaalsContact C-N 3.26Å; I53-Y55 PolarHBondContact O-N 3.08Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; Y55-S58 WeakPolarHBondContact CA-OG 3.35Å; Y55-S58 PolarHBondContact O-OG 3.03Å; Y55-S59 PolarHBondContact O-OG 2.96Å; Y55-R68 PolarHBondContact OH-NE 3.35Å; Y55-R68 VanDerWaalsContact OH-NE 3.1Å; Y55-R68 PolarHBondContact OH-NH1 3.43Å; Y55-R68 PolarHBondContact OH-NH2 2.99Å; Y55-R68 VanDerWaalsContact OH-NH2 3.09Å; Y55-M71 HydrophobicContact CD1-CG 4.11Å; Y55-M71 HydrophobicContact CD2-CB 4.25Å; Y55-M71 HydrophobicContact CD2-CE 4.19Å; Y55-M71 HydrophobicContact CD2-CG 4.39Å; Y55-M71 HydrophobicContact CE1-CG 4.31Å; Y55-M71 HydrophobicContact CE2-CB 4.12Å; Y55-M71 HydrophobicContact CG-CE 3.94Å; Y55-M71 HydrophobicContact CG-CG 4.18Å
56A72.7Confident69.7Low20 Ų2080.5 Ų80.517%0.16543%0.433CS..Hα-helixtrans-67.2-36176.400000112.1L16 I52 I53L16-A56 HydrophobicContact CD1-CB 3.84Å; L16-A56 HydrophobicContact CD2-CB 4.32Å; I52-A56 WeakPolarHBondContact O-CB 3.47Å; I52-A56 PolarHBondContact O-N 3.33Å; I53-A56 WeakPolarHBondContact O-CB 3.46Å; I53-A56 PolarHBondContact O-N 2.98Å
57N70.8Confident68.2Low126 Ų12682.2 Ų82.267%0.67444%0.44SS*.Hα-helixtrans-79.6-26-178.2-66.9-12.9000113.9I53 N54 Y55 S59I53-N57 VanDerWaalsContact O-CG 3.3Å; I53-N57 PolarHBondContact O-N 3.14Å; N54-N57 PolarHBondContact O-N 3.08Å; Y55-N57 VanDerWaalsContact C-N 3.34Å; N57-S59 VanDerWaalsContact C-N 3.35Å
58S63.8Low67.2Low94 Ų9475 Ų7566%0.65741%0.408SS*.THydrogen-bonded Turntrans-86.6-0.8179.2490000114.2N54 Y55N54-S58 WeakPolarHBondContact O-CB 3.49Å; N54-S58 PolarHBondContact O-N 3.43Å; N54-S58 PolarHBondContact O-OG 3.4Å; Y55-S58 WeakPolarHBondContact CA-OG 3.35Å; Y55-S58 PolarHBondContact O-OG 3.03Å
59S57.7Low66.2Low30 Ų3076.9 Ų76.921%0.2141%0.413CS..SBendtrans-102.2134.7-176.7-61.10000111.6Y55 N57Y55-S59 PolarHBondContact O-OG 2.96Å; N57-S59 VanDerWaalsContact C-N 3.35Å
60D52.6Low65.1Low104 Ų10474.8 Ų74.856%0.55641%0.408SS*.  trans-64.1130.2-178.1-158.9-9.4000112T62 S63D60-T62 PolarHBondContact O-N 2.93Å; D60-T62 PolarHBondContact OD1-OG1 3.24Å; D60-S63 VanDerWaalsContact O-CB 3.28Å; D60-S63 WeakPolarHBondContact O-CB 3.25Å; D60-S63 PolarHBondContact O-N 3.21Å; D60-S63 PolarHBondContact O-OG 3.16Å
61P49.3Very low64.2Low129 Ų12970.4 Ų70.484%0.83839%0.389SS*.G310 helixtrans-53-23-176.97.6-24.5000116.5S63P61-S63 VanDerWaalsContact C-N 3.27Å; P61-S63 PolarHBondContact O-N 2.83Å
62T45.3Very low63.4Low106 Ų10670.7 Ų70.765%0.6539%0.394SS*.G310 helixtrans-70.1-16.217530.30000114D60 G64D60-T62 PolarHBondContact O-N 2.93Å; D60-T62 PolarHBondContact OD1-OG1 3.24Å; T62-G64 PolarHBondContact O-N 3.35Å
63S52.3Low62.5Low41 Ų4174 Ų7429%0.28742%0.418SS..G310 helixtrans-8610.5-164.2-44.70000116.5D60 P61 V65D60-S63 VanDerWaalsContact O-CB 3.28Å; D60-S63 WeakPolarHBondContact O-CB 3.25Å; D60-S63 PolarHBondContact O-N 3.21Å; D60-S63 PolarHBondContact O-OG 3.16Å; P61-S63 VanDerWaalsContact C-N 3.27Å; P61-S63 PolarHBondContact O-N 2.83Å; S63-V65 PolarHBondContact O-N 2.86Å; S63-V65 VanDerWaalsContact O-N 3.14Å
64G55.2Low62.2Low27 Ų2772.1 Ų72.128%0.27841%0.409SS..  trans61.126.917900000114.5T62 S66 K67T62-G64 PolarHBondContact O-N 3.35Å; G64-S66 PolarHBondContact O-N 2.74Å; G64-K67 PolarHBondContact O-N 2.79Å
65V55.4Low62.1Low26 Ų2673.3 Ų73.316%0.15842%0.421CS..G310 helixtrans-49.6-35.1-178-179.40000112.3I12 S63 K67 R68I12-V65 HydrophobicContact CG2-CG1 4.39Å; S63-V65 PolarHBondContact O-N 2.86Å; S63-V65 VanDerWaalsContact O-N 3.14Å; V65-K67 PolarHBondContact O-N 3.14Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.12Å
66S56.3Low62.5Low67 Ų6773.9 Ų73.947%0.46942%0.423SS..G310 helixtrans-61.6-23177.7580000114.3K13 G64K13-S66 WeakPolarHBondContact CB-O 3.17Å; G64-S66 PolarHBondContact O-N 2.74Å
67K57.6Low62.8Low139 Ų13978.7 Ų78.760%0.60444%0.442SS*.G310 helixtrans-102.8-8.3179.7-63.5-179.7-178.21750113.4G64 V65G64-K67 PolarHBondContact O-N 2.79Å; V65-K67 PolarHBondContact O-N 3.14Å
68R67.3Low63Low26 Ų2677.2 Ų77.210%0.09843%0.431CS..  trans-71.4139.8-177.3-175.5166.3-168.2159.93.3111.2T11 I12 Y55 V65 S70 K72 R132T11-R68 CarbonylContact C-O 3.52Å; T11-R68 VanDerWaalsContact CA-O 3.26Å; T11-R68 WeakPolarHBondContact CA-O 3.45Å; I12-R68 HydrophobicContact CD1-CB 3.94Å; I12-R68 HydrophobicContact CD1-CG 3.8Å; I12-R68 HydrophobicContact CG1-CB 4.44Å; I12-R68 PolarHBondContact N-O 3.21Å; Y55-R68 PolarHBondContact OH-NE 3.35Å; Y55-R68 VanDerWaalsContact OH-NE 3.1Å; Y55-R68 PolarHBondContact OH-NH1 3.43Å; Y55-R68 PolarHBondContact OH-NH2 2.99Å; Y55-R68 VanDerWaalsContact OH-NH2 3.09Å; V65-R68 WeakPolarHBondContact O-CB 3.43Å; V65-R68 PolarHBondContact O-N 3.12Å; R68-S70 WeakPolarHBondContact CD-O 3.43Å; R68-S70 WeakPolarHBondContact CG-O 3.5Å; R68-S70 PolarHBondContact NE-O 2.82Å; R68-K72 PolarHBondContact NH2-O 3.18Å; R68-R132 WeakPolarHBondContact CD-O 3.34Å; R68-R132 WeakPolarHBondContact CG-O 3.37Å; R68-R132 PolarHBondContact NE-O 2.55Å
69K65.2Low63.8Low103 Ų10372.8 Ų72.845%0.44840%0.4SS..  trans-112-9.1-178.1-65.2-174.4-179.8-166.30114.4V9 T11V9-K69 HydrophobicContact CB-CD 4.39Å; V9-K69 HydrophobicContact CG1-CB 4.02Å; V9-K69 HydrophobicContact CG1-CD 3.92Å; V9-K69 HydrophobicContact CG1-CG 4.4Å; T11-K69 HydrophobicContact CG2-CG 3.97Å
70S64.2Low64.9Low34 Ų3472 Ų7224%0.23839%0.393CS..  trans-133.8136.2-175.9-178.90000111.8R68 K72R68-S70 WeakPolarHBondContact CD-O 3.43Å; R68-S70 WeakPolarHBondContact CG-O 3.5Å; R68-S70 PolarHBondContact NE-O 2.82Å; S70-K72 PolarHBondContact OG-N 3.18Å; S70-K72 VanDerWaalsContact OG-N 3.17Å
71M64.8Low66.1Low39 Ų3973.9 Ų73.919%0.19239%0.392CS..  trans-90.90.6171.8-62.81666900112.7I12 R51 I52 Y55 S73I12-M71 HydrophobicContact CD1-CG 4.33Å; R51-M71 HydrophobicContact CB-CE 4.47Å; R51-M71 HydrophobicContact CG-CE 3.96Å; R51-M71 WeakPolarHBondContact O-CE 3.44Å; I52-M71 HydrophobicContact CG1-CE 4.23Å; I52-M71 HydrophobicContact CG1-SD 3.84Å; Y55-M71 HydrophobicContact CD1-CG 4.11Å; Y55-M71 HydrophobicContact CD2-CB 4.25Å; Y55-M71 HydrophobicContact CD2-CE 4.19Å; Y55-M71 HydrophobicContact CD2-CG 4.39Å; Y55-M71 HydrophobicContact CE1-CG 4.31Å; Y55-M71 HydrophobicContact CE2-CB 4.12Å; Y55-M71 HydrophobicContact CG-CE 3.94Å; Y55-M71 HydrophobicContact CG-CG 4.18Å; M71-S73 PolarHBondContact O-N 3.06Å
72K65Low67.2Low166 Ų16669.2 Ų69.272%0.72236%0.361SS*.PPolyproline II helixtrans-69.3129.5176.8-68.4-170.3174.8-168.60109.9R68 S70R68-K72 PolarHBondContact NH2-O 3.18Å; S70-K72 PolarHBondContact OG-N 3.18Å; S70-K72 VanDerWaalsContact OG-N 3.17Å
73S63.4Low69Low75 Ų7564.1 Ų64.152%0.52433%0.331SS..PPolyproline II helixtrans-77.8168.2171.663.90000111.5M71 E77M71-S73 PolarHBondContact O-N 3.06Å; S73-E77 WeakPolarHBondContact CB-OE1 3.43Å; S73-E77 PolarHBondContact OG-OE1 3.03Å
74S73.8Confident70.2Confident14 Ų1463.1 Ų63.110%0.09832%0.322CS..PPolyproline II helixtrans-68.5154.1174-150.50000110.6Y76 E77 R132S74-Y76 WeakPolarHBondContact CB-O 3.43Å; S74-Y76 PolarHBondContact OG-N 3.04Å; S74-Y76 PolarHBondContact OG-O 3.02Å; S74-E77 WeakPolarHBondContact O-CG 3.41Å; S74-R132 PolarHBondContact OG-NH1 3.27Å
75T77.9Confident71Confident129 Ų12966.8 Ų66.879%0.79133%0.331SS*.SBendtrans-64.6-33.1158.5-51.80000111
76Y81.7Confident72.3Confident57 Ų5767.2 Ų67.222%0.22433%0.33CS..SBendtrans-117.989.7177.2-55.7-72.8000108.5S74 D80 F110 M115 F119S74-Y76 WeakPolarHBondContact CB-O 3.43Å; S74-Y76 PolarHBondContact OG-N 3.04Å; S74-Y76 PolarHBondContact OG-O 3.02Å; Y76-D80 PolarHBondContact O-N 2.95Å; Y76-D80 VanDerWaalsContact O-N 3.14Å; Y76-F110 HydrophobicContact CD1-CD2 4.49Å; Y76-F110 AromaticContact CD1-CE2 3.83Å; Y76-F110 HydrophobicContact CD1-CE2 3.83Å; Y76-F110 AromaticContact CE1-CE2 3.63Å; Y76-F110 HydrophobicContact CE1-CE2 3.63Å; Y76-F110 HydrophobicContact CE1-CZ 4.32Å; Y76-F110 HydrophobicContact CE2-CE2 4.33Å; Y76-F110 HydrophobicContact CG-CE2 4.26Å; Y76-F110 AromaticContact CZ-CE2 3.89Å; Y76-M115 HydrophobicContact CD1-SD 4.04Å; Y76-M115 HydrophobicContact CG-SD 4.41Å; Y76-F119 AromaticContact CD2-CD2 3.75Å; Y76-F119 HydrophobicContact CD2-CD2 3.75Å; Y76-F119 HydrophobicContact CD2-CE2 4.31Å; Y76-F119 HydrophobicContact CE2-CB 4.28Å; Y76-F119 AromaticContact CE2-CD2 3.7Å; Y76-F119 HydrophobicContact CE2-CD2 3.7Å; Y76-F119 HydrophobicContact CE2-CG 4.44Å
77E79.3Confident73.3Confident121 Ų12165.4 Ų65.457%0.56531%0.314SS*.Hα-helixtrans-69.4-42-171.5-66.5-170.616900112S73 S74 L79 D80 R81S73-E77 WeakPolarHBondContact CB-OE1 3.43Å; S73-E77 PolarHBondContact OG-OE1 3.03Å; S74-E77 WeakPolarHBondContact O-CG 3.41Å; E77-L79 PolarHBondContact O-N 3.23Å; E77-D80 WeakPolarHBondContact O-CB 3.41Å; E77-D80 PolarHBondContact O-N 3.19Å; E77-D80 VanDerWaalsContact O-N 3.11Å; E77-R81 PolarHBondContact O-N 3.48Å
78E76Confident74Confident94 Ų9461.6 Ų61.644%0.43930%0.3SS..Hα-helixtrans-62.6-43.9177.5-162.458.1-144.100111.7D80 R81 V82 L113E78-D80 VanDerWaalsContact C-N 3.28Å; E78-D80 PolarHBondContact O-N 3.38Å; E78-R81 PolarHBondContact O-N 2.87Å; E78-V82 WeakPolarHBondContact O-CG2 3.31Å; E78-V82 PolarHBondContact O-N 2.86Å; E78-L113 HydrophobicContact CG-CD1 4.19Å; E78-L113 HydrophobicContact CG-CD2 4.36Å
79L80.3Confident73.6Confident1 Ų166 Ų661%0.00532%0.322CS..Hα-helixtrans-57.6-42.6172.8-176.858000112.2E77 R81 M83 A106 F109 F110 M115 F119E77-L79 PolarHBondContact O-N 3.23Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 3.4Å; L79-M83 HydrophobicContact CD1-CG 4Å; L79-M83 HydrophobicContact CG-CG 4.28Å; L79-M83 WeakPolarHBondContact O-CB 3.19Å; L79-M83 WeakPolarHBondContact O-CG 3.36Å; L79-M83 PolarHBondContact O-N 2.89Å; L79-A106 WeakPolarHBondContact CD1-O 3.3Å; L79-F109 HydrophobicContact CD1-CB 3.5Å; L79-F109 VanDerWaalsContact CD1-CB 3.5Å; L79-F110 HydrophobicContact CD1-CB 4.38Å; L79-F110 HydrophobicContact CD2-CB 4.22Å; L79-F110 HydrophobicContact CD2-CD2 4.13Å; L79-M115 HydrophobicContact CB-CE 3.6Å; L79-M115 HydrophobicContact CB-SD 4.18Å; L79-M115 HydrophobicContact CD1-CE 4.14Å; L79-M115 HydrophobicContact CD2-CE 4.44Å; L79-M115 HydrophobicContact CG-CE 4.26Å; L79-F119 HydrophobicContact CD2-CD1 4.23Å; L79-F119 HydrophobicContact CD2-CD2 4.05Å; L79-F119 HydrophobicContact CD2-CE1 3.84Å; L79-F119 HydrophobicContact CD2-CE2 3.65Å; L79-F119 HydrophobicContact CD2-CG 4.33Å; L79-F119 HydrophobicContact CD2-CZ 3.54Å
80D80.3Confident73.8Confident13 Ų1362.9 Ų62.97%0.0731%0.309CS..Hα-helixtrans-66-35.3-177.4-159.255000112.2Y76 E77 E78 I84 F129 R132 H133Y76-D80 PolarHBondContact O-N 2.95Å; Y76-D80 VanDerWaalsContact O-N 3.14Å; E77-D80 WeakPolarHBondContact O-CB 3.41Å; E77-D80 PolarHBondContact O-N 3.19Å; E77-D80 VanDerWaalsContact O-N 3.11Å; E78-D80 VanDerWaalsContact C-N 3.28Å; E78-D80 PolarHBondContact O-N 3.38Å; D80-I84 WeakPolarHBondContact O-CG2 3.36Å; D80-I84 PolarHBondContact O-N 3.01Å; D80-F129 VanDerWaalsContact OD1-CD2 3.28Å; D80-F129 WeakPolarHBondContact OD1-CD2 3.39Å; D80-R132 IonicContact OD1-CZ 2.96Å; D80-R132 IonicContact OD1-NE 2.67Å; D80-R132 IonicContact OD1-NH1 2.84Å; D80-R132 PolarHBondContact OD1-NH1 2.64Å; D80-R132 IonicContact OD1-NH2 3.37Å; D80-R132 PolarHBondContact OD1-NH2 3.02Å; D80-R132 IonicContact OD2-CZ 2.66Å; D80-R132 VanDerWaalsContact OD2-CZ 3.31Å; D80-R132 IonicContact OD2-NE 3.77Å; D80-R132 IonicContact OD2-NH1 2.95Å; D80-R132 PolarHBondContact OD2-NH1 3.31Å; D80-R132 IonicContact OD2-NH2 2.64Å; D80-H133 IonicContact OD1-NE2 3.08Å; D80-H133 PolarHBondContact OD1-NE2 3.35Å; D80-H133 IonicContact OD2-CE1 3.21Å; D80-H133 IonicContact OD2-NE2 3.96Å; D80-H133 PolarHBondContact OD2-NE2 3.37Å
81R76.6Confident73.7Confident144 Ų14468.4 Ų68.454%0.54333%0.329SS..Hα-helixtrans-68.6-56.3176.5-177.7-172.4174.4178.82.6111.4E77 E78 L79 M83 I84 E85E77-R81 PolarHBondContact O-N 3.48Å; E78-R81 PolarHBondContact O-N 2.87Å; L79-R81 VanDerWaalsContact C-N 3.29Å; L79-R81 PolarHBondContact O-N 3.4Å; R81-M83 PolarHBondContact O-N 2.87Å; R81-I84 WeakPolarHBondContact O-CG2 3.37Å; R81-I84 PolarHBondContact O-N 3.48Å; R81-I84 VanDerWaalsContact O-N 3.08Å; R81-E85 IonicContact CZ-OE1 3.2Å; R81-E85 IonicContact NE-OE1 3.62Å; R81-E85 PolarHBondContact NE-OE1 2.87Å; R81-E85 IonicContact NH2-OE1 3.36Å; R81-E85 PolarHBondContact O-N 2.9Å
82V73.2Confident73.2Confident31 Ų3172.4 Ų72.419%0.18836%0.355CS..Hα-helixtrans-60.9-37.5-179.6179.60000110.7E78 I84 W86 F109 L113E78-V82 WeakPolarHBondContact O-CG2 3.31Å; E78-V82 PolarHBondContact O-N 2.86Å; V82-I84 PolarHBondContact O-N 3.06Å; V82-W86 VanDerWaalsContact O-CB 3.31Å; V82-W86 WeakPolarHBondContact O-CB 3.43Å; V82-W86 PolarHBondContact O-N 3.23Å; V82-F109 HydrophobicContact CB-CD2 4.4Å; V82-F109 HydrophobicContact CG1-CD1 3.89Å; V82-F109 HydrophobicContact CG1-CD2 3.68Å; V82-F109 HydrophobicContact CG1-CE1 3.86Å; V82-F109 HydrophobicContact CG1-CE2 3.67Å; V82-F109 HydrophobicContact CG1-CG 3.82Å; V82-F109 HydrophobicContact CG1-CZ 3.74Å; V82-L113 HydrophobicContact CG2-CD1 4.17Å
83M83.4Confident72.5Confident0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-63.7-37.2175.6-82.3-61.4-54.700114L79 R81 W86 F87 C102 Q105 A106 F109 W125 F129L79-M83 HydrophobicContact CD1-CG 4Å; L79-M83 HydrophobicContact CG-CG 4.28Å; L79-M83 WeakPolarHBondContact O-CB 3.19Å; L79-M83 WeakPolarHBondContact O-CG 3.36Å; L79-M83 PolarHBondContact O-N 2.89Å; R81-M83 PolarHBondContact O-N 2.87Å; M83-W86 HydrophobicContact CE-CE3 4.07Å; M83-W86 HydrophobicContact CE-CZ3 4.12Å; M83-F87 WeakPolarHBondContact O-CB 3.22Å; M83-F87 PolarHBondContact O-N 3.09Å; M83-C102 HydrophobicContact CE-CB 4.4Å; M83-C102 WeakPolarHBondContact CE-O 3.37Å; M83-Q105 HydrophobicContact CE-CB 4.22Å; M83-Q105 HydrophobicContact SD-CB 4.05Å; M83-Q105 HydrophobicContact SD-CG 3.97Å; M83-A106 HydrophobicContact CE-CB 4.08Å; M83-A106 HydrophobicContact CG-CB 4.06Å; M83-A106 WeakPolarHBondContact SD-CA 3.43Å; M83-A106 HydrophobicContact SD-CB 3.69Å; M83-A106 PolarHBondContact SD-N 2.88Å; M83-A106 VanDerWaalsContact SD-N 3.37Å; M83-F109 HydrophobicContact CG-CD2 3.99Å; M83-F109 HydrophobicContact SD-CD2 3.43Å; M83-F109 WeakPolarHBondContact SD-CD2 3.32Å; M83-F109 HydrophobicContact SD-CE2 3.85Å; M83-W125 HydrophobicContact CE-CH2 4.3Å; M83-F129 HydrophobicContact CB-CD2 4.48Å; M83-F129 HydrophobicContact CB-CE2 3.6Å; M83-F129 HydrophobicContact CB-CZ 3.97Å
84I76.9Confident71.5Confident20 Ų2067.8 Ų67.810%0.10334%0.344CS..Hα-helixtrans-79-36.3179.8-170.657.7000112.2D80 R81 V82 F87 N88 F129 H133D80-I84 WeakPolarHBondContact O-CG2 3.36Å; D80-I84 PolarHBondContact O-N 3.01Å; R81-I84 WeakPolarHBondContact O-CG2 3.37Å; R81-I84 PolarHBondContact O-N 3.48Å; R81-I84 VanDerWaalsContact O-N 3.08Å; V82-I84 PolarHBondContact O-N 3.06Å; I84-F87 HydrophobicContact CD1-CB 4.37Å; I84-F87 HydrophobicContact CD1-CD1 4.28Å; I84-F87 PolarHBondContact O-N 3.48Å; I84-N88 WeakPolarHBondContact O-CB 3.29Å; I84-N88 VanDerWaalsContact O-CG 3.28Å; I84-N88 PolarHBondContact O-N 3.01Å; I84-N88 PolarHBondContact O-ND2 2.81Å; I84-F129 HydrophobicContact CB-CE2 4.48Å; I84-F129 HydrophobicContact CB-CZ 4.44Å; I84-F129 HydrophobicContact CD1-CZ 4.37Å; I84-H133 HydrophobicContact CD1-CB 3.54Å; I84-H133 HydrophobicContact CG1-CB 4.13Å
85E73.1Confident70.3Confident103 Ų10370.9 Ų70.948%0.48136%0.359SS..Hα-helixtrans-59.2-51.2172.9-73.4175.5-168.600110.1R81 F87 N88 Q89R81-E85 IonicContact CZ-OE1 3.2Å; R81-E85 IonicContact NE-OE1 3.62Å; R81-E85 PolarHBondContact NE-OE1 2.87Å; R81-E85 IonicContact NH2-OE1 3.36Å; R81-E85 PolarHBondContact O-N 2.9Å; E85-F87 PolarHBondContact O-N 2.94Å; E85-N88 PolarHBondContact O-N 2.85Å; E85-Q89 PolarHBondContact O-N 3.05Å
86W81.9Confident69.2Low36 Ų3667 Ų6714%0.13634%0.336CS..Hα-helixtrans-59.4-45.9174.6173.884.6000112.3V82 M83 N88 Q89 Q90 V97 I101 Q105 F109V82-W86 VanDerWaalsContact O-CB 3.31Å; V82-W86 WeakPolarHBondContact O-CB 3.43Å; V82-W86 PolarHBondContact O-N 3.23Å; M83-W86 HydrophobicContact CE-CE3 4.07Å; M83-W86 HydrophobicContact CE-CZ3 4.12Å; W86-N88 VanDerWaalsContact C-N 3.29Å; W86-N88 PolarHBondContact O-N 3.24Å; W86-Q89 WeakPolarHBondContact O-CB 3.25Å; W86-Q89 PolarHBondContact O-N 3.22Å; W86-Q89 VanDerWaalsContact O-N 3.16Å; W86-Q90 HydrophobicContact CD2-CG 4.01Å; W86-Q90 HydrophobicContact CE3-CG 4.49Å; W86-Q90 HydrophobicContact CH2-CG 4.1Å; W86-Q90 HydrophobicContact CZ2-CG 3.62Å; W86-Q90 WeakPolarHBondContact O-CG 3.45Å; W86-Q90 PolarHBondContact O-N 3.38Å; W86-V97 HydrophobicContact CH2-CG1 3.63Å; W86-V97 HydrophobicContact CH2-CG2 4.14Å; W86-V97 HydrophobicContact CZ3-CG1 3.71Å; W86-V97 HydrophobicContact CZ3-CG2 4.38Å; W86-I101 HydrophobicContact CH2-CG2 3.67Å; W86-I101 HydrophobicContact CZ2-CG2 4.15Å; W86-Q105 HydrophobicContact CD2-CG 3.66Å; W86-Q105 HydrophobicContact CE3-CB 4.32Å; W86-Q105 HydrophobicContact CE3-CG 3.83Å; W86-Q105 HydrophobicContact CG-CG 4.25Å; W86-Q105 HydrophobicContact CH2-CB 3.95Å; W86-Q105 HydrophobicContact CH2-CG 4.03Å; W86-Q105 HydrophobicContact CZ2-CB 4.14Å; W86-Q105 HydrophobicContact CZ2-CG 3.83Å; W86-Q105 HydrophobicContact CZ3-CB 4.02Å; W86-Q105 HydrophobicContact CZ3-CG 4.02Å; W86-F109 HydrophobicContact CB-CE2 3.71Å; W86-F109 HydrophobicContact CB-CZ 3.88Å; W86-F109 AromaticContact CD1-CZ 3.99Å; W86-F109 HydrophobicContact CD2-CE2 4.39Å; W86-F109 AromaticContact CG-CE2 3.87Å; W86-F109 HydrophobicContact CG-CE2 3.87Å; W86-F109 AromaticContact CG-CZ 3.91Å; W86-F109 HydrophobicContact CG-CZ 3.91Å
87F76.9Confident68.3Low29 Ų2965.6 Ų65.613%0.12733%0.334CS..Hα-helixtrans-61.1-37.8179.9-176.5-86.1000112.4M83 I84 E85 K91 V97 I135M83-F87 WeakPolarHBondContact O-CB 3.22Å; M83-F87 PolarHBondContact O-N 3.09Å; I84-F87 HydrophobicContact CD1-CB 4.37Å; I84-F87 HydrophobicContact CD1-CD1 4.28Å; I84-F87 PolarHBondContact O-N 3.48Å; E85-F87 PolarHBondContact O-N 2.94Å; F87-K91 WeakPolarHBondContact O-CB 3.46Å; F87-K91 PolarHBondContact O-N 3.38Å; F87-V97 HydrophobicContact CD2-CB 3.93Å; F87-V97 HydrophobicContact CD2-CG1 3.83Å; F87-V97 HydrophobicContact CD2-CG2 4.24Å; F87-V97 HydrophobicContact CE2-CB 3.68Å; F87-V97 HydrophobicContact CE2-CG1 3.85Å; F87-V97 HydrophobicContact CE2-CG2 4.35Å; F87-I135 HydrophobicContact CD1-CD1 3.92Å; F87-I135 HydrophobicContact CD2-CD1 4.43Å; F87-I135 HydrophobicContact CE1-CD1 3.58Å; F87-I135 HydrophobicContact CE1-CG1 4.01Å; F87-I135 HydrophobicContact CE2-CD1 4.12Å; F87-I135 HydrophobicContact CG-CD1 4.34Å; F87-I135 HydrophobicContact CZ-CD1 3.71Å; F87-I135 HydrophobicContact CZ-CG1 4.31Å; F87-I135 HydrophobicContact CZ-CG2 4.21Å
88N72.7Confident67.8Low59 Ų5961.6 Ų61.632%0.31632%0.319SS..Hα-helixtrans-70.1-38.6176.1-73.9-26.3000111.8I84 E85 W86 K91 T92I84-N88 WeakPolarHBondContact O-CB 3.29Å; I84-N88 VanDerWaalsContact O-CG 3.28Å; I84-N88 PolarHBondContact O-N 3.01Å; I84-N88 PolarHBondContact O-ND2 2.81Å; E85-N88 PolarHBondContact O-N 2.85Å; W86-N88 VanDerWaalsContact C-N 3.29Å; W86-N88 PolarHBondContact O-N 3.24Å; N88-K91 WeakPolarHBondContact O-CB 3.4Å; N88-K91 PolarHBondContact O-N 3.12Å; N88-T92 PolarHBondContact O-N 3.33Å; N88-T92 PolarHBondContact O-OG1 3.37Å
89Q60.3Low67.2Low119 Ų11958.3 Ų58.356%0.55631%0.31SS*.Hα-helixtrans-61.4-49.7175.8-171161.620.200111.5E85 W86 K91 T92 D93E85-Q89 PolarHBondContact O-N 3.05Å; W86-Q89 WeakPolarHBondContact O-CB 3.25Å; W86-Q89 PolarHBondContact O-N 3.22Å; W86-Q89 VanDerWaalsContact O-N 3.16Å; Q89-K91 PolarHBondContact O-N 3.48Å; Q89-K91 VanDerWaalsContact O-N 3.17Å; Q89-T92 WeakPolarHBondContact O-CB 3.4Å; Q89-T92 PolarHBondContact O-N 3.05Å; Q89-D93 VanDerWaalsContact O-CG 3.31Å; Q89-D93 PolarHBondContact O-N 2.65Å
90Q67.8Low66.5Low36 Ų3662.7 Ų62.717%0.16834%0.337CS..Hα-helixtrans-56.1-36.9175.1-64-58.2-63.100112.5W86 D93 G94 I95 V97W86-Q90 HydrophobicContact CD2-CG 4.01Å; W86-Q90 HydrophobicContact CE3-CG 4.49Å; W86-Q90 HydrophobicContact CH2-CG 4.1Å; W86-Q90 HydrophobicContact CZ2-CG 3.62Å; W86-Q90 WeakPolarHBondContact O-CG 3.45Å; W86-Q90 PolarHBondContact O-N 3.38Å; Q90-D93 PolarHBondContact O-N 3.41Å; Q90-G94 PolarHBondContact O-N 3.06Å; Q90-I95 HydrophobicContact CB-CB 4.4Å; Q90-I95 WeakPolarHBondContact O-CA 3.22Å; Q90-I95 WeakPolarHBondContact O-CB 3.28Å; Q90-I95 PolarHBondContact O-N 2.8Å; Q90-V97 HydrophobicContact CB-CG2 3.34Å; Q90-V97 HydrophobicContact CG-CG2 3.83Å
91K62.5Low66Low150 Ų15064.6 Ų64.665%0.65235%0.346SS*.Hα-helixtrans-69.6-38.4177.8-171.1-173.2173.4-163.20112.7F87 N88 Q89 D93 G94F87-K91 WeakPolarHBondContact O-CB 3.46Å; F87-K91 PolarHBondContact O-N 3.38Å; N88-K91 WeakPolarHBondContact O-CB 3.4Å; N88-K91 PolarHBondContact O-N 3.12Å; Q89-K91 PolarHBondContact O-N 3.48Å; Q89-K91 VanDerWaalsContact O-N 3.17Å; K91-D93 VanDerWaalsContact C-N 3.29Å; K91-G94 PolarHBondContact O-N 3.29Å
92T53.7Low65.9Low123 Ų12357.8 Ų57.876%0.75532%0.321SS*.Hα-helixtrans-64.9-37.1175-58.50000111.1N88 Q89 G94N88-T92 PolarHBondContact O-N 3.33Å; N88-T92 PolarHBondContact O-OG1 3.37Å; Q89-T92 WeakPolarHBondContact O-CB 3.4Å; Q89-T92 PolarHBondContact O-N 3.05Å; T92-G94 PolarHBondContact O-N 2.95Å
93D50.8Low65.9Low95 Ų9557.3 Ų57.351%0.50832%0.32SS..THydrogen-bonded Turntrans-78.32.9178.5-57.9-23.1000113Q89 Q90 K91 I95Q89-D93 VanDerWaalsContact O-CG 3.31Å; Q89-D93 PolarHBondContact O-N 2.65Å; Q90-D93 PolarHBondContact O-N 3.41Å; K91-D93 VanDerWaalsContact C-N 3.29Å; D93-I95 HydrophobicContact CB-CD1 3.94Å; D93-I95 HydrophobicContact CB-CG1 4.05Å; D93-I95 PolarHBondContact O-N 3.19Å
94G42.5Very low65.3Low49 Ų4963.1 Ų63.151%0.50535%0.345SS..THydrogen-bonded Turntrans71.19.4-178.900000114.3Q90 K91 T92 P96Q90-G94 PolarHBondContact O-N 3.06Å; K91-G94 PolarHBondContact O-N 3.29Å; T92-G94 PolarHBondContact O-N 2.95Å; G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.47Å
95I49.7Very low65.3Low79 Ų7964.2 Ų64.241%0.40535%0.35SS..  trans-82.1117.1-177.8-57.8170.6000109.3Q90 D93 V97Q90-I95 HydrophobicContact CB-CB 4.4Å; Q90-I95 WeakPolarHBondContact O-CA 3.22Å; Q90-I95 WeakPolarHBondContact O-CB 3.28Å; Q90-I95 PolarHBondContact O-N 2.8Å; D93-I95 HydrophobicContact CB-CD1 3.94Å; D93-I95 HydrophobicContact CB-CG1 4.05Å; D93-I95 PolarHBondContact O-N 3.19Å; I95-V97 PolarHBondContact O-N 3.04Å
96P54.6Low65.7Low47 Ų4759.3 Ų59.331%0.30533%0.327SS..  trans-78.9117-174.8-18.135.7000111.3G94 S98 L145 V443G94-P96 VanDerWaalsContact O-CD 3.27Å; G94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-S98 PolarHBondContact O-N 2.94Å; P96-L145 HydrophobicContact CG-CD1 4.33Å; P96-V443 HydrophobicContact CB-CB 4.1Å; P96-V443 HydrophobicContact CB-CG1 3.94Å; P96-V443 HydrophobicContact CB-CG2 3.5Å; P96-V443 VanDerWaalsContact CB-CG2 3.5Å; P96-V443 HydrophobicContact CG-CB 4.28Å; P96-V443 HydrophobicContact CG-CG1 4.07Å; P96-V443 HydrophobicContact CG-CG2 3.33Å; P96-V443 WeakPolarHBondContact O-CG1 3.39Å
97V62.7Low65.7Low29 Ų2962.5 Ų62.518%0.17634%0.342CS..  trans-88.3108.4-178.8-173.20000111.3W86 F87 Q90 I95 I101 C102W86-V97 HydrophobicContact CH2-CG1 3.63Å; W86-V97 HydrophobicContact CH2-CG2 4.14Å; W86-V97 HydrophobicContact CZ3-CG1 3.71Å; W86-V97 HydrophobicContact CZ3-CG2 4.38Å; F87-V97 HydrophobicContact CD2-CB 3.93Å; F87-V97 HydrophobicContact CD2-CG1 3.83Å; F87-V97 HydrophobicContact CD2-CG2 4.24Å; F87-V97 HydrophobicContact CE2-CB 3.68Å; F87-V97 HydrophobicContact CE2-CG1 3.85Å; F87-V97 HydrophobicContact CE2-CG2 4.35Å; Q90-V97 HydrophobicContact CB-CG2 3.34Å; Q90-V97 HydrophobicContact CG-CG2 3.83Å; I95-V97 PolarHBondContact O-N 3.04Å; V97-I101 HydrophobicContact CG1-CB 4.25Å; V97-I101 HydrophobicContact CG1-CG2 4.22Å; V97-C102 WeakPolarHBondContact CG1-SG 3.31Å
98S68.2Low65.7Low37 Ų3767 Ų6726%0.25936%0.362SS..  trans-76.6165.2174.685.70000112.1P96 T100 I101 C102P96-S98 PolarHBondContact O-N 2.94Å; S98-T100 VanDerWaalsContact C-N 3.27Å; S98-T100 PolarHBondContact O-N 2.94Å; S98-T100 PolarHBondContact OG-N 3.39Å; S98-T100 PolarHBondContact OG-OG1 2.9Å; S98-I101 PolarHBondContact O-N 3.14Å; S98-I101 WeakPolarHBondContact OG-CG1 3.3Å; S98-I101 PolarHBondContact OG-N 2.98Å; S98-C102 PolarHBondContact O-N 3.16Å
99G62.9Low66Low24 Ų2465.4 Ų65.425%0.24735%0.352CS..Hα-helixtrans-63.7-30.4178.500000114.1A103 L126G99-A103 PolarHBondContact O-N 3.35Å; G99-A103 VanDerWaalsContact O-N 3.14Å; G99-L126 VanDerWaalsContact CA-CD2 3.49Å; G99-L126 WeakPolarHBondContact O-CD2 3.38Å
100T65.9Low67.1Low93 Ų9360.3 Ų60.357%0.57133%0.328SS*.Hα-helixtrans-75.7-36.9176.9490000111.6S98 A103 K104S98-T100 VanDerWaalsContact C-N 3.27Å; S98-T100 PolarHBondContact O-N 2.94Å; S98-T100 PolarHBondContact OG-N 3.39Å; S98-T100 PolarHBondContact OG-OG1 2.9Å; T100-A103 PolarHBondContact O-N 2.86Å; T100-K104 PolarHBondContact O-N 3.44Å
101I69Low67.5Low53 Ų5364.2 Ų64.227%0.27235%0.35SS..Hα-helixtrans-64-46.2173.6-59.2169.1000109.5W86 V97 S98 A103 K104 Q105 L444W86-I101 HydrophobicContact CH2-CG2 3.67Å; W86-I101 HydrophobicContact CZ2-CG2 4.15Å; V97-I101 HydrophobicContact CG1-CB 4.25Å; V97-I101 HydrophobicContact CG1-CG2 4.22Å; S98-I101 PolarHBondContact O-N 3.14Å; S98-I101 WeakPolarHBondContact OG-CG1 3.3Å; S98-I101 PolarHBondContact OG-N 2.98Å; I101-A103 PolarHBondContact O-N 3.07Å; I101-K104 PolarHBondContact O-N 2.76Å; I101-Q105 WeakPolarHBondContact O-CB 3.03Å; I101-Q105 PolarHBondContact O-N 2.88Å; I101-L444 HydrophobicContact CD1-CD2 4.11Å; I101-L444 HydrophobicContact CG1-CD2 4.48Å
102C75Confident68Low1 Ų160.4 Ų60.41%0.00735%0.346CS..Hα-helixtrans-54.7-40.9172.3-78.80000112.7M83 V97 S98 A106 L126M83-C102 HydrophobicContact CE-CB 4.4Å; M83-C102 WeakPolarHBondContact CE-O 3.37Å; V97-C102 WeakPolarHBondContact CG1-SG 3.31Å; S98-C102 PolarHBondContact O-N 3.16Å; C102-A106 VanDerWaalsContact O-CB 3.23Å; C102-A106 WeakPolarHBondContact O-CB 3.33Å; C102-A106 PolarHBondContact O-N 3.02Å; C102-L126 HydrophobicContact CB-CD1 3.52Å
103A73.6Confident69.1Low21 Ų2157.9 Ų57.917%0.17433%0.328CS..Hα-helixtrans-71.9-40.6-17800000112.5G99 T100 I101 K107 A121G99-A103 PolarHBondContact O-N 3.35Å; G99-A103 VanDerWaalsContact O-N 3.14Å; T100-A103 PolarHBondContact O-N 2.86Å; I101-A103 PolarHBondContact O-N 3.07Å; A103-K107 PolarHBondContact O-N 3.13Å; A103-A121 HydrophobicContact CB-CB 3.88Å; A103-A121 WeakPolarHBondContact O-CB 3.32Å
104K70.8Confident70.4Confident122 Ų12256.3 Ų56.353%0.5333%0.334SS..Hα-helixtrans-64.7-48.7174.5-77.1-171.7173.6-170.30111.1T100 I101 A106 K107 F108T100-K104 PolarHBondContact O-N 3.44Å; I101-K104 PolarHBondContact O-N 2.76Å; K104-A106 VanDerWaalsContact C-N 3.27Å; K104-A106 PolarHBondContact O-N 3.3Å; K104-K107 PolarHBondContact O-N 3.44Å; K104-K107 VanDerWaalsContact O-N 3.12Å; K104-F108 PolarHBondContact O-N 3.13Å
105Q77.4Confident72.2Confident44 Ų4456 Ų5621%0.20632%0.32CS..Hα-helixtrans-61.8-37.6179.6-166.268.515.600112M83 W86 I101 K107 F108 F109M83-Q105 HydrophobicContact CE-CB 4.22Å; M83-Q105 HydrophobicContact SD-CB 4.05Å; M83-Q105 HydrophobicContact SD-CG 3.97Å; W86-Q105 HydrophobicContact CD2-CG 3.66Å; W86-Q105 HydrophobicContact CE3-CB 4.32Å; W86-Q105 HydrophobicContact CE3-CG 3.83Å; W86-Q105 HydrophobicContact CG-CG 4.25Å; W86-Q105 HydrophobicContact CH2-CB 3.95Å; W86-Q105 HydrophobicContact CH2-CG 4.03Å; W86-Q105 HydrophobicContact CZ2-CB 4.14Å; W86-Q105 HydrophobicContact CZ2-CG 3.83Å; W86-Q105 HydrophobicContact CZ3-CB 4.02Å; W86-Q105 HydrophobicContact CZ3-CG 4.02Å; I101-Q105 WeakPolarHBondContact O-CB 3.03Å; I101-Q105 PolarHBondContact O-N 2.88Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3.28Å; Q105-F108 PolarHBondContact O-N 3.05Å; Q105-F109 HydrophobicContact CG-CD2 3.92Å; Q105-F109 HydrophobicContact CG-CE2 3.51Å; Q105-F109 HydrophobicContact CG-CZ 3.97Å; Q105-F109 PolarHBondContact O-N 3.44Å
106A81Confident73.5Confident0 Ų061.2 Ų61.20%034%0.343CS..Hα-helixtrans-67.4-33.4176.800000113.1L79 M83 C102 K104 F110 F119 W125L79-A106 WeakPolarHBondContact CD1-O 3.3Å; M83-A106 HydrophobicContact CE-CB 4.08Å; M83-A106 HydrophobicContact CG-CB 4.06Å; M83-A106 WeakPolarHBondContact SD-CA 3.43Å; M83-A106 HydrophobicContact SD-CB 3.69Å; M83-A106 PolarHBondContact SD-N 2.88Å; M83-A106 VanDerWaalsContact SD-N 3.37Å; C102-A106 VanDerWaalsContact O-CB 3.23Å; C102-A106 WeakPolarHBondContact O-CB 3.33Å; C102-A106 PolarHBondContact O-N 3.02Å; K104-A106 VanDerWaalsContact C-N 3.27Å; K104-A106 PolarHBondContact O-N 3.3Å; A106-F110 VanDerWaalsContact O-CB 3.25Å; A106-F110 WeakPolarHBondContact O-CB 3.46Å; A106-F110 PolarHBondContact O-N 3.13Å; A106-F119 HydrophobicContact CB-CE1 3.89Å; A106-F119 HydrophobicContact CB-CZ 3.93Å; A106-F119 WeakPolarHBondContact O-CE1 3.28Å; A106-W125 HydrophobicContact CB-CH2 3.18Å; A106-W125 HydrophobicContact CB-CZ2 3.54Å; A106-W125 HydrophobicContact CB-CZ3 3.83Å
107K80.8Confident74.5Confident102 Ų10261.3 Ų61.344%0.44335%0.352SS..Hα-helixtrans-68-46.2171.6-73.2-174.6174-168.30111A103 K104 Q105 F109 F110 D111 F119 A121A103-K107 PolarHBondContact O-N 3.13Å; K104-K107 PolarHBondContact O-N 3.44Å; K104-K107 VanDerWaalsContact O-N 3.12Å; Q105-K107 VanDerWaalsContact C-N 3.33Å; Q105-K107 PolarHBondContact O-N 3.28Å; K107-F109 PolarHBondContact O-N 3.34Å; K107-F110 WeakPolarHBondContact O-CA 3.39Å; K107-F110 WeakPolarHBondContact O-CB 3.38Å; K107-F110 PolarHBondContact O-N 3.48Å; K107-D111 PolarHBondContact O-N 2.9Å; K107-F119 HydrophobicContact CG-CD1 4.36Å; K107-F119 HydrophobicContact CG-CE1 4.26Å; K107-A121 HydrophobicContact CG-CB 4Å
108F78.3Confident75Confident123 Ų12367.9 Ų67.954%0.53939%0.386SS..Hα-helixtrans-55.9-48.5176.7175.1-96000112.2K104 Q105 F110 D111 A112K104-F108 PolarHBondContact O-N 3.13Å; Q105-F108 PolarHBondContact O-N 3.05Å; F108-F110 VanDerWaalsContact C-N 3.3Å; F108-F110 PolarHBondContact O-N 2.71Å; F108-D111 PolarHBondContact O-N 3.08Å; F108-A112 HydrophobicContact CE1-CB 4.41Å; F108-A112 WeakPolarHBondContact O-CB 3.36Å; F108-A112 PolarHBondContact O-N 3.42Å
109F79.2Confident75.6Confident27 Ų2767.2 Ų67.212%0.11838%0.379CS..Hα-helixtrans-68-30.9176-70.2-34.1000112.8L79 V82 M83 W86 Q105 K107 L113L79-F109 HydrophobicContact CD1-CB 3.5Å; L79-F109 VanDerWaalsContact CD1-CB 3.5Å; V82-F109 HydrophobicContact CB-CD2 4.4Å; V82-F109 HydrophobicContact CG1-CD1 3.89Å; V82-F109 HydrophobicContact CG1-CD2 3.68Å; V82-F109 HydrophobicContact CG1-CE1 3.86Å; V82-F109 HydrophobicContact CG1-CE2 3.67Å; V82-F109 HydrophobicContact CG1-CG 3.82Å; V82-F109 HydrophobicContact CG1-CZ 3.74Å; M83-F109 HydrophobicContact CG-CD2 3.99Å; M83-F109 HydrophobicContact SD-CD2 3.43Å; M83-F109 WeakPolarHBondContact SD-CD2 3.32Å; M83-F109 HydrophobicContact SD-CE2 3.85Å; W86-F109 HydrophobicContact CB-CE2 3.71Å; W86-F109 HydrophobicContact CB-CZ 3.88Å; W86-F109 AromaticContact CD1-CZ 3.99Å; W86-F109 HydrophobicContact CD2-CE2 4.39Å; W86-F109 AromaticContact CG-CE2 3.87Å; W86-F109 HydrophobicContact CG-CE2 3.87Å; W86-F109 AromaticContact CG-CZ 3.91Å; W86-F109 HydrophobicContact CG-CZ 3.91Å; Q105-F109 HydrophobicContact CG-CD2 3.92Å; Q105-F109 HydrophobicContact CG-CE2 3.51Å; Q105-F109 HydrophobicContact CG-CZ 3.97Å; Q105-F109 PolarHBondContact O-N 3.44Å; K107-F109 PolarHBondContact O-N 3.34Å; F109-L113 HydrophobicContact CB-CD1 4.42Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 WeakPolarHBondContact O-CD1 3.35Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.47Å
110F81.8Confident76.3Confident11 Ų1171.2 Ų71.25%0.04840%0.395CS..Hα-helixtrans-61.5-47.3174.5-176.4-93.6000111.5Y76 L79 A106 K107 F108 M115 G117 F119Y76-F110 HydrophobicContact CD1-CD2 4.49Å; Y76-F110 AromaticContact CD1-CE2 3.83Å; Y76-F110 HydrophobicContact CD1-CE2 3.83Å; Y76-F110 AromaticContact CE1-CE2 3.63Å; Y76-F110 HydrophobicContact CE1-CE2 3.63Å; Y76-F110 HydrophobicContact CE1-CZ 4.32Å; Y76-F110 HydrophobicContact CE2-CE2 4.33Å; Y76-F110 HydrophobicContact CG-CE2 4.26Å; Y76-F110 AromaticContact CZ-CE2 3.89Å; L79-F110 HydrophobicContact CD1-CB 4.38Å; L79-F110 HydrophobicContact CD2-CB 4.22Å; L79-F110 HydrophobicContact CD2-CD2 4.13Å; A106-F110 VanDerWaalsContact O-CB 3.25Å; A106-F110 WeakPolarHBondContact O-CB 3.46Å; A106-F110 PolarHBondContact O-N 3.13Å; K107-F110 WeakPolarHBondContact O-CA 3.39Å; K107-F110 WeakPolarHBondContact O-CB 3.38Å; K107-F110 PolarHBondContact O-N 3.48Å; F108-F110 VanDerWaalsContact C-N 3.3Å; F108-F110 PolarHBondContact O-N 2.71Å; F110-M115 HydrophobicContact CB-CE 4.25Å; F110-M115 HydrophobicContact CD2-CB 3.82Å; F110-M115 HydrophobicContact CD2-CE 3.63Å; F110-M115 HydrophobicContact CD2-SD 4.1Å; F110-M115 HydrophobicContact CE1-CB 4.46Å; F110-M115 WeakPolarHBondContact CE1-O 3.32Å; F110-M115 HydrophobicContact CE2-CB 3.42Å; F110-M115 VanDerWaalsContact CE2-CB 3.42Å; F110-M115 HydrophobicContact CE2-CE 4.33Å; F110-M115 HydrophobicContact CE2-CG 4.42Å; F110-M115 HydrophobicContact CE2-SD 4.24Å; F110-M115 HydrophobicContact CG-CB 4.48Å; F110-M115 HydrophobicContact CG-CE 4.24Å; F110-M115 HydrophobicContact CZ-CB 3.8Å; F110-M115 WeakPolarHBondContact CZ-O 3.45Å; F110-M115 PolarHBondContact O-N 2.92Å; F110-G117 WeakPolarHBondContact CE1-O 3.47Å; F110-G117 VanDerWaalsContact CZ-O 3.29Å; F110-G117 WeakPolarHBondContact CZ-O 3.12Å; F110-F119 HydrophobicContact CB-CB 4.39Å; F110-F119 HydrophobicContact CB-CD1 3.67Å; F110-F119 HydrophobicContact CB-CE1 4.29Å; F110-F119 HydrophobicContact CB-CG 4.2Å; F110-F119 HydrophobicContact CD1-CB 3.62Å; F110-F119 HydrophobicContact CD1-CD1 4.33Å; F110-F119 HydrophobicContact CD1-CG 4.34Å; F110-F119 HydrophobicContact CD2-CB 3.37Å; F110-F119 HydrophobicContact CD2-CD1 4.02Å; F110-F119 HydrophobicContact CD2-CD2 4.32Å; F110-F119 AromaticContact CD2-CG 3.65Å; F110-F119 HydrophobicContact CD2-CG 3.65Å; F110-F119 HydrophobicContact CE1-CB 3.61Å; F110-F119 HydrophobicContact CE2-CB 3.38Å; F110-F119 HydrophobicContact CE2-CG 4.1Å; F110-F119 HydrophobicContact CG-CB 3.5Å; F110-F119 VanDerWaalsContact CG-CB 3.5Å; F110-F119 AromaticContact CG-CD1 3.73Å; F110-F119 HydrophobicContact CG-CD1 3.73Å; F110-F119 AromaticContact CG-CG 3.78Å; F110-F119 HydrophobicContact CG-CG 3.78Å; F110-F119 HydrophobicContact CZ-CB 3.49Å; F110-F119 VanDerWaalsContact CZ-CB 3.49Å
111D77.8Confident77Confident119 Ų11967.4 Ų67.464%0.63637%0.373SS*.Hα-helixtrans-69.1-44178.4-58.2-27.8000111.4K107 F108 L113 G114K107-D111 PolarHBondContact O-N 2.9Å; F108-D111 PolarHBondContact O-N 3.08Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.42Å; D111-G114 PolarHBondContact O-N 3.25Å
112A71.9Confident77.4Confident69 Ų6967 Ų6757%0.5738%0.375SS*.Hα-helixtrans-68-29-17800000113.6F108F108-A112 HydrophobicContact CE1-CB 4.41Å; F108-A112 WeakPolarHBondContact O-CB 3.36Å; F108-A112 PolarHBondContact O-N 3.42Å
113L78.1Confident77.1Confident70 Ų7071.8 Ų71.837%0.36641%0.408SS..THydrogen-bonded Turntrans-82.9-0.5174.2-68.1167.9000112.4E78 V82 F109 D111 M115E78-L113 HydrophobicContact CG-CD1 4.19Å; E78-L113 HydrophobicContact CG-CD2 4.36Å; V82-L113 HydrophobicContact CG2-CD1 4.17Å; F109-L113 HydrophobicContact CB-CD1 4.42Å; F109-L113 WeakPolarHBondContact O-CB 3.32Å; F109-L113 WeakPolarHBondContact O-CD1 3.35Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 3.47Å; D111-L113 VanDerWaalsContact C-N 3.32Å; D111-L113 PolarHBondContact O-N 3.42Å; L113-M115 VanDerWaalsContact C-N 3.26Å; L113-M115 HydrophobicContact CB-CE 3.67Å; L113-M115 HydrophobicContact CB-CG 4.28Å; L113-M115 HydrophobicContact CD1-CE 3.64Å; L113-M115 HydrophobicContact CG-CE 4.28Å; L113-M115 PolarHBondContact O-N 3.27Å
114G77.1Confident77.1Confident62 Ų6272.3 Ų72.364%0.63942%0.415SS*.THydrogen-bonded Turntrans61.631177.200000113.7D111D111-G114 PolarHBondContact O-N 3.25Å
115M80.4Confident77.7Confident44 Ų4467.7 Ų67.722%0.21739%0.394CS..  trans-75.1137.3-177.6-76.8-179.4-80.800111.6Y76 L79 F110 L113Y76-M115 HydrophobicContact CD1-SD 4.04Å; Y76-M115 HydrophobicContact CG-SD 4.41Å; L79-M115 HydrophobicContact CB-CE 3.6Å; L79-M115 HydrophobicContact CB-SD 4.18Å; L79-M115 HydrophobicContact CD1-CE 4.14Å; L79-M115 HydrophobicContact CD2-CE 4.44Å; L79-M115 HydrophobicContact CG-CE 4.26Å; F110-M115 HydrophobicContact CB-CE 4.25Å; F110-M115 HydrophobicContact CD2-CB 3.82Å; F110-M115 HydrophobicContact CD2-CE 3.63Å; F110-M115 HydrophobicContact CD2-SD 4.1Å; F110-M115 HydrophobicContact CE1-CB 4.46Å; F110-M115 WeakPolarHBondContact CE1-O 3.32Å; F110-M115 HydrophobicContact CE2-CB 3.42Å; F110-M115 VanDerWaalsContact CE2-CB 3.42Å; F110-M115 HydrophobicContact CE2-CE 4.33Å; F110-M115 HydrophobicContact CE2-CG 4.42Å; F110-M115 HydrophobicContact CE2-SD 4.24Å; F110-M115 HydrophobicContact CG-CB 4.48Å; F110-M115 HydrophobicContact CG-CE 4.24Å; F110-M115 HydrophobicContact CZ-CB 3.8Å; F110-M115 WeakPolarHBondContact CZ-O 3.45Å; F110-M115 PolarHBondContact O-N 2.92Å; L113-M115 VanDerWaalsContact C-N 3.26Å; L113-M115 HydrophobicContact CB-CE 3.67Å; L113-M115 HydrophobicContact CB-CG 4.28Å; L113-M115 HydrophobicContact CD1-CE 3.64Å; L113-M115 HydrophobicContact CG-CE 4.28Å; L113-M115 PolarHBondContact O-N 3.27Å
116E76.6Confident77.8Confident188 Ų18866.8 Ų66.888%0.87939%0.391SS*.  trans-83.7133176.2-65.5-174.6169.600111.7
117G76.8Confident77.5Confident48 Ų4869.2 Ų69.250%0.49541%0.405SS..SBendtrans131.4170.8171.500000115.3F110 F119F110-G117 WeakPolarHBondContact CE1-O 3.47Å; F110-G117 VanDerWaalsContact CZ-O 3.29Å; F110-G117 WeakPolarHBondContact CZ-O 3.12Å; G117-F119 PolarHBondContact O-N 3.18Å; G117-F119 VanDerWaalsContact O-N 3.11Å
118D71.9Confident77.2Confident168 Ų16872.5 Ų72.590%0.89842%0.415SS*.  trans-85.775178.9-74.6-23.7000111.3N120D118-N120 PolarHBondContact O-N 3Å; D118-N120 VanDerWaalsContact O-N 3.16Å
119F80.8Confident77.2Confident23 Ų2366.7 Ų66.710%0.10139%0.39CS..  trans-71.5110.8175.2176.2-109.4000111.9Y76 L79 A106 K107 F110 G117 A121 W125Y76-F119 AromaticContact CD2-CD2 3.75Å; Y76-F119 HydrophobicContact CD2-CD2 3.75Å; Y76-F119 HydrophobicContact CD2-CE2 4.31Å; Y76-F119 HydrophobicContact CE2-CB 4.28Å; Y76-F119 AromaticContact CE2-CD2 3.7Å; Y76-F119 HydrophobicContact CE2-CD2 3.7Å; Y76-F119 HydrophobicContact CE2-CG 4.44Å; L79-F119 HydrophobicContact CD2-CD1 4.23Å; L79-F119 HydrophobicContact CD2-CD2 4.05Å; L79-F119 HydrophobicContact CD2-CE1 3.84Å; L79-F119 HydrophobicContact CD2-CE2 3.65Å; L79-F119 HydrophobicContact CD2-CG 4.33Å; L79-F119 HydrophobicContact CD2-CZ 3.54Å; A106-F119 HydrophobicContact CB-CE1 3.89Å; A106-F119 HydrophobicContact CB-CZ 3.93Å; A106-F119 WeakPolarHBondContact O-CE1 3.28Å; K107-F119 HydrophobicContact CG-CD1 4.36Å; K107-F119 HydrophobicContact CG-CE1 4.26Å; F110-F119 HydrophobicContact CB-CB 4.39Å; F110-F119 HydrophobicContact CB-CD1 3.67Å; F110-F119 HydrophobicContact CB-CE1 4.29Å; F110-F119 HydrophobicContact CB-CG 4.2Å; F110-F119 HydrophobicContact CD1-CB 3.62Å; F110-F119 HydrophobicContact CD1-CD1 4.33Å; F110-F119 HydrophobicContact CD1-CG 4.34Å; F110-F119 HydrophobicContact CD2-CB 3.37Å; F110-F119 HydrophobicContact CD2-CD1 4.02Å; F110-F119 HydrophobicContact CD2-CD2 4.32Å; F110-F119 AromaticContact CD2-CG 3.65Å; F110-F119 HydrophobicContact CD2-CG 3.65Å; F110-F119 HydrophobicContact CE1-CB 3.61Å; F110-F119 HydrophobicContact CE2-CB 3.38Å; F110-F119 HydrophobicContact CE2-CG 4.1Å; F110-F119 HydrophobicContact CG-CB 3.5Å; F110-F119 VanDerWaalsContact CG-CB 3.5Å; F110-F119 AromaticContact CG-CD1 3.73Å; F110-F119 HydrophobicContact CG-CD1 3.73Å; F110-F119 AromaticContact CG-CG 3.78Å; F110-F119 HydrophobicContact CG-CG 3.78Å; F110-F119 HydrophobicContact CZ-CB 3.49Å; F110-F119 VanDerWaalsContact CZ-CB 3.49Å; G117-F119 PolarHBondContact O-N 3.18Å; G117-F119 VanDerWaalsContact O-N 3.11Å; F119-A121 HydrophobicContact CE1-CB 3.84Å; F119-A121 HydrophobicContact CZ-CB 4.01Å; F119-W125 AromaticContact CE2-CD1 3.65Å; F119-W125 HydrophobicContact CE2-CD2 4.2Å; F119-W125 AromaticContact CE2-CE2 3.95Å; F119-W125 HydrophobicContact CE2-CG 4.08Å; F119-W125 AromaticContact CE2-NE1 3.53Å; F119-W125 AromaticContact CZ-CD2 3.92Å; F119-W125 HydrophobicContact CZ-CD2 3.92Å; F119-W125 AromaticContact CZ-CE2 3.66Å; F119-W125 HydrophobicContact CZ-CE3 4.45Å; F119-W125 HydrophobicContact CZ-CG 4.26Å; F119-W125 HydrophobicContact CZ-CZ2 4.06Å; F119-W125 AromaticContact CZ-NE1 3.74Å
120N78.6Confident77.1Confident108 Ų10868 Ų6858%0.57840%0.395SS*.  trans-104111.9170.3-170.65.1000110.7D118 S122D118-N120 PolarHBondContact O-N 3Å; D118-N120 VanDerWaalsContact O-N 3.16Å; N120-S122 PolarHBondContact O-N 2.99Å
121A80.3Confident76.5Confident13 Ų1371.9 Ų71.911%0.10741%0.414CS..  trans-69.553.817100000112.5A103 K107 F119 W125A103-A121 HydrophobicContact CB-CB 3.88Å; A103-A121 WeakPolarHBondContact O-CB 3.32Å; K107-A121 HydrophobicContact CG-CB 4Å; F119-A121 HydrophobicContact CE1-CB 3.84Å; F119-A121 HydrophobicContact CZ-CB 4.01Å; A121-W125 HydrophobicContact CB-CE3 4.08Å; A121-W125 HydrophobicContact CB-CZ3 4.32Å
122S76.5Confident76.2Confident45 Ų4566.9 Ų66.932%0.31539%0.386SS..  trans-66.4163.4-177.865.20000112.2N120 G124 W125 L126N120-S122 PolarHBondContact O-N 2.99Å; S122-G124 PolarHBondContact O-N 3.27Å; S122-W125 PolarHBondContact O-N 3.3Å; S122-W125 VanDerWaalsContact O-N 3.09Å; S122-W125 PolarHBondContact OG-N 2.9Å; S122-W125 VanDerWaalsContact OG-N 3.14Å; S122-L126 PolarHBondContact O-N 3.13Å
123S69.6Low76.3Confident101 Ų10164.6 Ų64.671%0.70636%0.363SS*.Hα-helixtrans-55.5-33.3170.658.10000112.4T127S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 2.61Å; S123-T127 PolarHBondContact O-OG1 3.19Å
124G73.3Confident75.5Confident31 Ų3162 Ų6232%0.3235%0.353SS..Hα-helixtrans-66.8-45.7174.600000112.7S122 T127 R128S122-G124 PolarHBondContact O-N 3.27Å; G124-T127 PolarHBondContact O-N 3.24Å; G124-R128 WeakPolarHBondContact O-CG 3.33Å; G124-R128 PolarHBondContact O-N 3.36Å; G124-R128 VanDerWaalsContact O-N 3.08Å
125W84.6Confident75.2Confident25 Ų2560.6 Ų60.610%0.09533%0.331CS..Hα-helixtrans-59.7-50.3174.9167.785.6000111.1M83 A106 F119 A121 S122 T127 R128 F129M83-W125 HydrophobicContact CE-CH2 4.3Å; A106-W125 HydrophobicContact CB-CH2 3.18Å; A106-W125 HydrophobicContact CB-CZ2 3.54Å; A106-W125 HydrophobicContact CB-CZ3 3.83Å; F119-W125 AromaticContact CE2-CD1 3.65Å; F119-W125 HydrophobicContact CE2-CD2 4.2Å; F119-W125 AromaticContact CE2-CE2 3.95Å; F119-W125 HydrophobicContact CE2-CG 4.08Å; F119-W125 AromaticContact CE2-NE1 3.53Å; F119-W125 AromaticContact CZ-CD2 3.92Å; F119-W125 HydrophobicContact CZ-CD2 3.92Å; F119-W125 AromaticContact CZ-CE2 3.66Å; F119-W125 HydrophobicContact CZ-CE3 4.45Å; F119-W125 HydrophobicContact CZ-CG 4.26Å; F119-W125 HydrophobicContact CZ-CZ2 4.06Å; F119-W125 AromaticContact CZ-NE1 3.74Å; A121-W125 HydrophobicContact CB-CE3 4.08Å; A121-W125 HydrophobicContact CB-CZ3 4.32Å; S122-W125 PolarHBondContact O-N 3.3Å; S122-W125 VanDerWaalsContact O-N 3.09Å; S122-W125 PolarHBondContact OG-N 2.9Å; S122-W125 VanDerWaalsContact OG-N 3.14Å; W125-T127 VanDerWaalsContact C-N 3.29Å; W125-T127 PolarHBondContact O-N 3.08Å; W125-R128 CarbonylContact O-C 3.52Å; W125-R128 WeakPolarHBondContact O-CA 3.48Å; W125-R128 WeakPolarHBondContact O-CB 3.44Å; W125-R128 PolarHBondContact O-N 2.69Å; W125-F129 HydrophobicContact CH2-CG 4.44Å; W125-F129 HydrophobicContact CZ2-CB 4.32Å; W125-F129 HydrophobicContact CZ2-CD2 4.27Å; W125-F129 HydrophobicContact CZ2-CG 4.35Å; W125-F129 PolarHBondContact O-N 2.89Å
126L78.3Confident74Confident25 Ų2563.3 Ų63.313%0.13135%0.352CS..Hα-helixtrans-60.7-39.9-179.7-179.366.3000111.8G99 C102 S122 R128 F129 K130G99-L126 VanDerWaalsContact CA-CD2 3.49Å; G99-L126 WeakPolarHBondContact O-CD2 3.38Å; C102-L126 HydrophobicContact CB-CD1 3.52Å; S122-L126 PolarHBondContact O-N 3.13Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.01Å; L126-F129 HydrophobicContact CD1-CD1 4.42Å; L126-F129 PolarHBondContact O-N 2.84Å; L126-K130 HydrophobicContact CD1-CG 4.48Å; L126-K130 HydrophobicContact CG-CD 4.39Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 WeakPolarHBondContact O-CG 3.47Å; L126-K130 PolarHBondContact O-N 2.64Å
127T74.1Confident72.9Confident51 Ų5161.4 Ų61.431%0.31334%0.341SS..Hα-helixtrans-60.4-42.4175.4-62.80000111.2S123 G124 W125 Q131S123-T127 WeakPolarHBondContact O-CB 3.41Å; S123-T127 PolarHBondContact O-N 2.61Å; S123-T127 PolarHBondContact O-OG1 3.19Å; G124-T127 PolarHBondContact O-N 3.24Å; W125-T127 VanDerWaalsContact C-N 3.29Å; W125-T127 PolarHBondContact O-N 3.08Å; T127-Q131 WeakPolarHBondContact O-CB 3.33Å; T127-Q131 WeakPolarHBondContact O-CG 3.43Å; T127-Q131 PolarHBondContact O-N 3.08Å; T127-Q131 VanDerWaalsContact O-N 3.1Å
128R75.3Confident71.3Confident172 Ų17263.5 Ų63.565%0.64935%0.353SS*.Hα-helixtrans-71.5-39.7177.9-68.7174.9-174.5173.33.5112.1G124 W125 L126 Q131 R132G124-R128 WeakPolarHBondContact O-CG 3.33Å; G124-R128 PolarHBondContact O-N 3.36Å; G124-R128 VanDerWaalsContact O-N 3.08Å; W125-R128 CarbonylContact O-C 3.52Å; W125-R128 WeakPolarHBondContact O-CA 3.48Å; W125-R128 WeakPolarHBondContact O-CB 3.44Å; W125-R128 PolarHBondContact O-N 2.69Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.01Å; R128-Q131 PolarHBondContact O-N 3Å; R128-R132 WeakPolarHBondContact O-CB 3.27Å; R128-R132 VanDerWaalsContact O-CG 3.29Å; R128-R132 WeakPolarHBondContact O-CG 3.43Å; R128-R132 PolarHBondContact O-N 3.12Å; R128-R132 PolarHBondContact O-NE 3.13Å
129F78.3Confident69.4Low0 Ų059 Ų590%034%0.34CS..Hα-helixtrans-55.6-53.2172.1174.5-98.6000111.2D80 M83 I84 W125 L126 Q131 R132 H133 I135D80-F129 VanDerWaalsContact OD1-CD2 3.28Å; D80-F129 WeakPolarHBondContact OD1-CD2 3.39Å; M83-F129 HydrophobicContact CB-CD2 4.48Å; M83-F129 HydrophobicContact CB-CE2 3.6Å; M83-F129 HydrophobicContact CB-CZ 3.97Å; I84-F129 HydrophobicContact CB-CE2 4.48Å; I84-F129 HydrophobicContact CB-CZ 4.44Å; I84-F129 HydrophobicContact CD1-CZ 4.37Å; W125-F129 HydrophobicContact CH2-CG 4.44Å; W125-F129 HydrophobicContact CZ2-CB 4.32Å; W125-F129 HydrophobicContact CZ2-CD2 4.27Å; W125-F129 HydrophobicContact CZ2-CG 4.35Å; W125-F129 PolarHBondContact O-N 2.89Å; L126-F129 HydrophobicContact CD1-CD1 4.42Å; L126-F129 PolarHBondContact O-N 2.84Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 2.83Å; F129-R132 PolarHBondContact O-N 3.2Å; F129-R132 VanDerWaalsContact O-N 3.12Å; F129-H133 AromaticContact CD2-CD2 3.53Å; F129-H133 AromaticContact CD2-NE2 3.85Å; F129-H133 AromaticContact CE2-CD2 3.3Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.38Å; F129-H133 AromaticContact CE2-NE2 3.56Å; F129-H133 AromaticContact CZ-CD2 3.76Å; F129-H133 PolarHBondContact O-CD2 2.83Å; F129-H133 PolarHBondContact O-N 2.96Å; F129-I135 HydrophobicContact CD1-CD1 4.23Å; F129-I135 HydrophobicContact CE1-CD1 3.74Å
130K76.6Confident67.1Low54 Ų5462.3 Ų62.324%0.23538%0.38CS..Hα-helixtrans-58.7-41.4177.5-71.1-178.3178.2-1730112.8L126 G134 I135L126-K130 HydrophobicContact CD1-CG 4.48Å; L126-K130 HydrophobicContact CG-CD 4.39Å; L126-K130 WeakPolarHBondContact O-CB 3.49Å; L126-K130 WeakPolarHBondContact O-CG 3.47Å; L126-K130 PolarHBondContact O-N 2.64Å; K130-G134 PolarHBondContact O-N 3.37Å; K130-G134 VanDerWaalsContact O-N 3.1Å; K130-I135 HydrophobicContact CB-CB 3.92Å; K130-I135 HydrophobicContact CB-CG2 4.38Å; K130-I135 HydrophobicContact CD-CG2 4.3Å; K130-I135 HydrophobicContact CG-CB 3.99Å; K130-I135 HydrophobicContact CG-CD1 4.26Å; K130-I135 HydrophobicContact CG-CG2 4.01Å; K130-I135 PolarHBondContact O-N 3.41Å
131Q69.3Low64.9Low94 Ų9466 Ų6644%0.43939%0.391SS..Hα-helixtrans-66.7-35.7177.1-75.8173.78.300113.5T127 R128 F129T127-Q131 WeakPolarHBondContact O-CB 3.33Å; T127-Q131 WeakPolarHBondContact O-CG 3.43Å; T127-Q131 PolarHBondContact O-N 3.08Å; T127-Q131 VanDerWaalsContact O-N 3.1Å; R128-Q131 PolarHBondContact O-N 3Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 2.83Å
132R72.9Confident62.7Low14 Ų1468 Ų685%0.05341%0.412CS..Hα-helixtrans-69.7-39.2177.6-77179.6-65.1160.5-1.9111.6R68 S74 D80 R128 F129R68-R132 WeakPolarHBondContact CD-O 3.34Å; R68-R132 WeakPolarHBondContact CG-O 3.37Å; R68-R132 PolarHBondContact NE-O 2.55Å; S74-R132 PolarHBondContact OG-NH1 3.27Å; D80-R132 IonicContact OD1-CZ 2.96Å; D80-R132 IonicContact OD1-NE 2.67Å; D80-R132 IonicContact OD1-NH1 2.84Å; D80-R132 PolarHBondContact OD1-NH1 2.64Å; D80-R132 IonicContact OD1-NH2 3.37Å; D80-R132 PolarHBondContact OD1-NH2 3.02Å; D80-R132 IonicContact OD2-CZ 2.66Å; D80-R132 VanDerWaalsContact OD2-CZ 3.31Å; D80-R132 IonicContact OD2-NE 3.77Å; D80-R132 IonicContact OD2-NH1 2.95Å; D80-R132 PolarHBondContact OD2-NH1 3.31Å; D80-R132 IonicContact OD2-NH2 2.64Å; R128-R132 WeakPolarHBondContact O-CB 3.27Å; R128-R132 VanDerWaalsContact O-CG 3.29Å; R128-R132 WeakPolarHBondContact O-CG 3.43Å; R128-R132 PolarHBondContact O-N 3.12Å; R128-R132 PolarHBondContact O-NE 3.13Å; F129-R132 PolarHBondContact O-N 3.2Å; F129-R132 VanDerWaalsContact O-N 3.12Å
133H72.4Confident60.5Low21 Ų2172 Ų7210%0.09744%0.435CS..THydrogen-bonded Turntrans-96.612.3-178-61.5-59.3000114.1D80 I84 F129 I135D80-H133 IonicContact OD1-NE2 3.08Å; D80-H133 PolarHBondContact OD1-NE2 3.35Å; D80-H133 IonicContact OD2-CE1 3.21Å; D80-H133 IonicContact OD2-NE2 3.96Å; D80-H133 PolarHBondContact OD2-NE2 3.37Å; I84-H133 HydrophobicContact CD1-CB 3.54Å; I84-H133 HydrophobicContact CG1-CB 4.13Å; F129-H133 AromaticContact CD2-CD2 3.53Å; F129-H133 AromaticContact CD2-NE2 3.85Å; F129-H133 AromaticContact CE2-CD2 3.3Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.38Å; F129-H133 AromaticContact CE2-NE2 3.56Å; F129-H133 AromaticContact CZ-CD2 3.76Å; F129-H133 PolarHBondContact O-CD2 2.83Å; F129-H133 PolarHBondContact O-N 2.96Å; H133-I135 HydrophobicContact CB-CD1 4.24Å; H133-I135 HydrophobicContact CB-CG1 4.21Å; H133-I135 PolarHBondContact O-N 3.41Å; H133-I135 VanDerWaalsContact O-N 3.17Å
134G61.9Low59.2Low15 Ų1574 Ų7416%0.15543%0.431CS..THydrogen-bonded Turntrans64.422.117700000113.9K130 P136K130-G134 PolarHBondContact O-N 3.37Å; K130-G134 VanDerWaalsContact O-N 3.1Å; G134-P136 WeakPolarHBondContact O-CD 3.48Å
135I70Confident57.9Low32 Ų3277.6 Ų77.616%0.16444%0.442CS..PPolyproline II helixtrans-73.7117.7175.5-57.4170000107.1F87 F129 K130 H133 K137F87-I135 HydrophobicContact CD1-CD1 3.92Å; F87-I135 HydrophobicContact CD2-CD1 4.43Å; F87-I135 HydrophobicContact CE1-CD1 3.58Å; F87-I135 HydrophobicContact CE1-CG1 4.01Å; F87-I135 HydrophobicContact CE2-CD1 4.12Å; F87-I135 HydrophobicContact CG-CD1 4.34Å; F87-I135 HydrophobicContact CZ-CD1 3.71Å; F87-I135 HydrophobicContact CZ-CG1 4.31Å; F87-I135 HydrophobicContact CZ-CG2 4.21Å; F129-I135 HydrophobicContact CD1-CD1 4.23Å; F129-I135 HydrophobicContact CE1-CD1 3.74Å; K130-I135 HydrophobicContact CB-CB 3.92Å; K130-I135 HydrophobicContact CB-CG2 4.38Å; K130-I135 HydrophobicContact CD-CG2 4.3Å; K130-I135 HydrophobicContact CG-CB 3.99Å; K130-I135 HydrophobicContact CG-CD1 4.26Å; K130-I135 HydrophobicContact CG-CG2 4.01Å; K130-I135 PolarHBondContact O-N 3.41Å; H133-I135 HydrophobicContact CB-CD1 4.24Å; H133-I135 HydrophobicContact CB-CG1 4.21Å; H133-I135 PolarHBondContact O-N 3.41Å; H133-I135 VanDerWaalsContact O-N 3.17Å; I135-K137 PolarHBondContact O-N 3.38Å
136P56.8Low56.3Low102 Ų10284.7 Ų84.766%0.66247%0.474SS*.PPolyproline II helixtrans-56.7135.4-178.4-23.132.8000110.9G134 A138G134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-A138 PolarHBondContact O-N 2.87Å
137K52.1Low55.5Low147 Ų14784 Ų8464%0.63947%0.472SS*.PPolyproline II helixtrans-59.8126.2155.7-81.6-174.1173.1-174.10105.4I135 A139I135-K137 PolarHBondContact O-N 3.38Å; K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.78Å
138A44.5Very low55.6Low92 Ų9285 Ų8576%0.7648%0.476SS*.  trans-53103.2170.600000107.3P136P136-A138 PolarHBondContact O-N 2.87Å
139A31Very low56.1Low74 Ų7482.2 Ų82.261%0.61247%0.47SS*.  trans-65.7146.3169.600000106.4K137 K141K137-A139 VanDerWaalsContact C-N 3.31Å; K137-A139 PolarHBondContact O-N 2.78Å; A139-K141 CarbonylContact O-C 3.49Å; A139-K141 VanDerWaalsContact O-C 3.31Å; A139-K141 PolarHBondContact O-N 2.94Å; A139-K141 VanDerWaalsContact O-O 3.07Å
140G33.2Very low56.5Low92 Ų9286.4 Ų86.495%0.94850%0.496SS*.SBendtrans-61.120.1-178.100000116.5
141K32.4Very low56.9Low187 Ų18784.7 Ų84.781%0.81349%0.491SS*.SBendtrans-121.1109.9156-78.6-179.1175.9-179.20105.5A139 T143A139-K141 CarbonylContact O-C 3.49Å; A139-K141 VanDerWaalsContact O-C 3.31Å; A139-K141 PolarHBondContact O-N 2.94Å; A139-K141 VanDerWaalsContact O-O 3.07Å; K141-T143 PolarHBondContact O-N 3.05Å
142G32.9Very low57.7Low53 Ų5380.5 Ų80.555%0.54647%0.473SS..  trans-46.4120.9-179.800000109.6K144G142-K144 PolarHBondContact O-N 2.78Å
143T31.1Very low58.5Low129 Ų12983.9 Ų83.979%0.79150%0.499SS*.  trans-59.791.2148.4440000104.2K141 L145K141-T143 PolarHBondContact O-N 3.05Å; T143-L145 PolarHBondContact O-N 3.4Å
144K43.1Very low59.4Low144 Ų14489.1 Ų89.163%0.62652%0.524SS*.  trans-45.3120.9154.8-72.7-177176.9-175.10103.1G142 K146G142-K144 PolarHBondContact O-N 2.78Å; K144-K146 VanDerWaalsContact C-N 3.35Å; K144-K146 PolarHBondContact O-N 2.78Å
145L44.4Very low60.8Low107 Ų10789.6 Ų89.656%0.5652%0.521SS*.  trans-43.8117.5155.1-73164.2000103.5P96 T143 G147P96-L145 HydrophobicContact CG-CD1 4.33Å; T143-L145 PolarHBondContact O-N 3.4Å; L145-G147 VanDerWaalsContact C-N 3.33Å; L145-G147 PolarHBondContact O-N 3.05Å
146K52.2Low61.8Low174 Ų17489.3 Ų89.376%0.75752%0.522SS*.  trans-58.3109.9-174.7-155.3-174.1-179.9-156.80103.4K144 E149K144-K146 VanDerWaalsContact C-N 3.35Å; K144-K146 PolarHBondContact O-N 2.78Å; K146-E149 WeakPolarHBondContact CE-OE1 3.19Å
147G60.4Low63.5Low9 Ų986 Ų869%0.09351%0.507CS..  trans-57153.3-174.200000107.9L145 E149 N318L145-G147 VanDerWaalsContact C-N 3.33Å; L145-G147 PolarHBondContact O-N 3.05Å; G147-E149 VanDerWaalsContact C-N 3.29Å; G147-E149 PolarHBondContact O-N 3.5Å; G147-N318 WeakPolarHBondContact CA-O 3.49Å
148D77.3Confident65.4Low73 Ų7381.9 Ų81.939%0.3950%0.496SS..  trans-70.792.6178.1-167.2-24.3000108.9T150 A151 A152 N318D148-T150 PolarHBondContact O-N 2.67Å; D148-T150 WeakPolarHBondContact OD1-CB 3.44Å; D148-T150 PolarHBondContact OD1-N 2.92Å; D148-A151 HydrophobicContact CB-CB 3.85Å; D148-A151 PolarHBondContact OD1-N 3.39Å; D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.37Å; D148-A152 PolarHBondContact O-N 2.93Å; D148-N318 PolarHBondContact N-O 3.27Å
149E85.4Confident67.7Low114 Ų11477.7 Ų77.753%0.53346%0.461SS..Hα-helixtrans-64-32.1-178.8-72.4171.9-163.400110.9K146 G147 S153 L322K146-E149 WeakPolarHBondContact CE-OE1 3.19Å; G147-E149 VanDerWaalsContact C-N 3.29Å; G147-E149 PolarHBondContact O-N 3.5Å; E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 3.46Å; E149-L322 HydrophobicContact CG-CD1 4.1Å
150T85.9Confident70.6Confident88 Ų8878.3 Ų78.354%0.5445%0.451SS..Hα-helixtrans-69.6-54.5177-57.50000110.2D148 A152 S153 E154D148-T150 PolarHBondContact O-N 2.67Å; D148-T150 WeakPolarHBondContact OD1-CB 3.44Å; D148-T150 PolarHBondContact OD1-N 2.92Å; T150-A152 PolarHBondContact O-N 3.49Å; T150-S153 PolarHBondContact O-N 3.45Å; T150-S153 VanDerWaalsContact O-N 3.08Å; T150-E154 HydrophobicContact CG2-CG 4.46Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.28Å; T150-E154 WeakPolarHBondContact O-CG 3.37Å; T150-E154 PolarHBondContact O-N 3.11Å
151A85.1Confident73.5Confident17 Ų1780.2 Ų80.214%0.1444%0.435CS..Hα-helixtrans-60.7-34.517800000112D148 F155 P316 V319D148-A151 HydrophobicContact CB-CB 3.85Å; D148-A151 PolarHBondContact OD1-N 3.39Å; A151-F155 VanDerWaalsContact O-CB 3.24Å; A151-F155 WeakPolarHBondContact O-CB 3.48Å; A151-F155 PolarHBondContact O-N 3.07Å; A151-P316 HydrophobicContact CB-CB 4.41Å; A151-V319 HydrophobicContact CB-CG1 3.99Å
152A86.7Confident76.4Confident6 Ų672 Ų725%0.0540%0.4CS..Hα-helixtrans-64.5-46.3174.100000112D148 T150 F155 C156 V319 L322 I323D148-A152 VanDerWaalsContact O-CB 3.23Å; D148-A152 WeakPolarHBondContact O-CB 3.37Å; D148-A152 PolarHBondContact O-N 2.93Å; T150-A152 PolarHBondContact O-N 3.49Å; A152-F155 PolarHBondContact O-N 3.37Å; A152-C156 PolarHBondContact O-N 3.06Å; A152-C156 PolarHBondContact O-SG 3.15Å; A152-V319 HydrophobicContact CB-CB 4.22Å; A152-V319 HydrophobicContact CB-CG1 4.09Å; A152-L322 HydrophobicContact CB-CB 4.26Å; A152-L322 HydrophobicContact CB-CD1 3.82Å; A152-I323 HydrophobicContact CB-CD1 4.19Å; A152-I323 HydrophobicContact CB-CG2 3.94Å
153S89.5Confident79.3Confident86 Ų8669.8 Ų69.860%0.60138%0.376SS*.Hα-helixtrans-65.2-44.1178.5-169.60000112.2E149 T150 F155 C156 G157E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 3.46Å; T150-S153 PolarHBondContact O-N 3.45Å; T150-S153 VanDerWaalsContact O-N 3.08Å; S153-F155 VanDerWaalsContact C-N 3.34Å; S153-C156 PolarHBondContact O-N 3.32Å; S153-G157 PolarHBondContact O-N 3.18Å
154E91.3Very high82.3Confident131 Ų13169.6 Ų69.661%0.61237%0.366SS*.Hα-helixtrans-60.9-43.9175.6-71.7174.7-179.400111.2T150 G157 S158T150-E154 HydrophobicContact CG2-CG 4.46Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.28Å; T150-E154 WeakPolarHBondContact O-CG 3.37Å; T150-E154 PolarHBondContact O-N 3.11Å; E154-G157 PolarHBondContact O-N 3.06Å; E154-S158 PolarHBondContact O-N 3.22Å; E154-S158 PolarHBondContact O-OG 3.32Å
155F90.9Very high84.8Confident24 Ų2471.5 Ų71.511%0.10537%0.369CS..Hα-helixtrans-63.8-45.3176-173.5-93.3000112A151 A152 S153 G157 S158 F159 L290 L315 P316 I323 L388A151-F155 VanDerWaalsContact O-CB 3.24Å; A151-F155 WeakPolarHBondContact O-CB 3.48Å; A151-F155 PolarHBondContact O-N 3.07Å; A152-F155 PolarHBondContact O-N 3.37Å; S153-F155 VanDerWaalsContact C-N 3.34Å; F155-G157 VanDerWaalsContact C-N 3.3Å; F155-G157 PolarHBondContact O-N 2.95Å; F155-S158 WeakPolarHBondContact CA-OG 3.38Å; F155-S158 PolarHBondContact O-N 3.17Å; F155-S158 PolarHBondContact O-OG 3.47Å; F155-F159 HydrophobicContact CD1-CB 4.25Å; F155-F159 HydrophobicContact CE1-CB 3.96Å; F155-F159 HydrophobicContact CE1-CD2 4.39Å; F155-F159 HydrophobicContact CE1-CG 4.17Å; F155-F159 HydrophobicContact CZ-CB 4.38Å; F155-F159 HydrophobicContact CZ-CD2 4.35Å; F155-F159 WeakPolarHBondContact O-CB 3.4Å; F155-F159 PolarHBondContact O-N 3.42Å; F155-L290 HydrophobicContact CE1-CD2 4.48Å; F155-L290 HydrophobicContact CZ-CD2 4.11Å; F155-L315 HydrophobicContact CD1-CD2 3.85Å; F155-L315 HydrophobicContact CE1-CD2 3.26Å; F155-L315 HydrophobicContact CE2-CD2 4.45Å; F155-L315 HydrophobicContact CZ-CD2 3.61Å; F155-P316 HydrophobicContact CB-CG 3.86Å; F155-P316 HydrophobicContact CD2-CG 3.72Å; F155-P316 HydrophobicContact CG-CG 4Å; F155-I323 HydrophobicContact CB-CD1 4.23Å; F155-I323 HydrophobicContact CD1-CD1 3.73Å; F155-I323 HydrophobicContact CG-CD1 4.29Å; F155-L388 HydrophobicContact CD1-CD1 3.79Å; F155-L388 HydrophobicContact CE1-CD1 3.83Å
156C92.3Very high87.1Confident26 Ų2669.1 Ų69.118%0.17636%0.355CS..Hα-helixtrans-56.1-45.3176.6-710000111.6A152 S153 F159 Q160A152-C156 PolarHBondContact O-N 3.06Å; A152-C156 PolarHBondContact O-SG 3.15Å; S153-C156 PolarHBondContact O-N 3.32Å; C156-F159 PolarHBondContact O-N 3.27Å; C156-Q160 WeakPolarHBondContact O-CB 3.31Å; C156-Q160 PolarHBondContact O-N 3.18Å
157G91.4Very high89Confident34 Ų3466.7 Ų66.735%0.35135%0.35SS..Hα-helixtrans-61.1-55176.300000112.4S153 E154 F155 F159 Q160 E161S153-G157 PolarHBondContact O-N 3.18Å; E154-G157 PolarHBondContact O-N 3.06Å; F155-G157 VanDerWaalsContact C-N 3.3Å; F155-G157 PolarHBondContact O-N 2.95Å; G157-F159 VanDerWaalsContact C-N 3.26Å; G157-F159 PolarHBondContact O-N 3.04Å; G157-Q160 PolarHBondContact O-N 2.84Å; G157-Q160 VanDerWaalsContact O-N 3.16Å; G157-E161 PolarHBondContact O-N 3.46Å
158S92.4Very high90.7Very high60 Ų6066.8 Ų66.842%0.4235%0.348SS..Hα-helixtrans-62.5-31.8179.868.40000113.5E154 F155 F162E154-S158 PolarHBondContact O-N 3.22Å; E154-S158 PolarHBondContact O-OG 3.32Å; F155-S158 WeakPolarHBondContact CA-OG 3.38Å; F155-S158 PolarHBondContact O-N 3.17Å; F155-S158 PolarHBondContact O-OG 3.47Å; S158-F162 WeakPolarHBondContact O-CB 3.41Å; S158-F162 PolarHBondContact O-N 2.91Å
159F93.3Very high91.5Very high3 Ų367.4 Ų67.41%0.01335%0.349CS..Hα-helixtrans-72-39.4176.9-177.4-109.5000111.3F155 C156 G157 F162 V163 I173 V288 L290 K313 L388 F389F155-F159 HydrophobicContact CD1-CB 4.25Å; F155-F159 HydrophobicContact CE1-CB 3.96Å; F155-F159 HydrophobicContact CE1-CD2 4.39Å; F155-F159 HydrophobicContact CE1-CG 4.17Å; F155-F159 HydrophobicContact CZ-CB 4.38Å; F155-F159 HydrophobicContact CZ-CD2 4.35Å; F155-F159 WeakPolarHBondContact O-CB 3.4Å; F155-F159 PolarHBondContact O-N 3.42Å; C156-F159 PolarHBondContact O-N 3.27Å; G157-F159 VanDerWaalsContact C-N 3.26Å; G157-F159 PolarHBondContact O-N 3.04Å; F159-F162 HydrophobicContact CD2-CD1 4.26Å; F159-F162 HydrophobicContact CE2-CD1 4.16Å; F159-F162 WeakPolarHBondContact O-CB 3.35Å; F159-F162 PolarHBondContact O-N 3.33Å; F159-V163 HydrophobicContact CD1-CG2 4.29Å; F159-V163 HydrophobicContact CE1-CG2 3.83Å; F159-V163 HydrophobicContact CE2-CG2 4.19Å; F159-V163 HydrophobicContact CZ-CG2 3.76Å; F159-V163 WeakPolarHBondContact O-CG2 2.97Å; F159-V163 PolarHBondContact O-N 2.92Å; F159-I173 HydrophobicContact CE1-CG2 4.32Å; F159-I173 HydrophobicContact CZ-CG2 3.83Å; F159-V288 HydrophobicContact CE2-CG1 4.34Å; F159-V288 HydrophobicContact CZ-CG1 4.34Å; F159-L290 HydrophobicContact CD2-CD2 4.13Å; F159-L290 HydrophobicContact CE1-CD1 3.91Å; F159-L290 HydrophobicContact CE2-CD1 3.84Å; F159-L290 HydrophobicContact CE2-CD2 3.69Å; F159-L290 HydrophobicContact CE2-CG 4.14Å; F159-L290 HydrophobicContact CZ-CD1 3.45Å; F159-L290 VanDerWaalsContact CZ-CD1 3.45Å; F159-L290 HydrophobicContact CZ-CD2 4.22Å; F159-L290 HydrophobicContact CZ-CG 4.19Å; F159-K313 HydrophobicContact CD2-CD 4.28Å; F159-K313 HydrophobicContact CE2-CD 4.39Å; F159-L388 HydrophobicContact CD1-CD1 4.42Å; F159-L388 HydrophobicContact CD1-CG 4.24Å; F159-L388 HydrophobicContact CE1-CD2 4.5Å; F159-L388 HydrophobicContact CE1-CG 4.49Å; F159-F389 HydrophobicContact CE1-CD2 4.46Å
160Q92.5Very high91.9Very high87 Ų8763.2 Ų63.241%0.40733%0.332SS..Hα-helixtrans-63.7-46.7174.5-176.5173.5-17.100111.4C156 G157 F162 V163 E164C156-Q160 WeakPolarHBondContact O-CB 3.31Å; C156-Q160 PolarHBondContact O-N 3.18Å; G157-Q160 PolarHBondContact O-N 2.84Å; G157-Q160 VanDerWaalsContact O-N 3.16Å; Q160-F162 VanDerWaalsContact C-N 3.26Å; Q160-F162 PolarHBondContact O-N 3.36Å; Q160-V163 PolarHBondContact O-N 2.83Å; Q160-V163 VanDerWaalsContact O-N 3.12Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.36Å; Q160-E164 PolarHBondContact NE2-OE1 2.86Å; Q160-E164 WeakPolarHBondContact O-CG 2.9Å; Q160-E164 PolarHBondContact O-N 3.37Å
161E93.8Very high92.4Very high133 Ų13359.9 Ų59.962%0.62131%0.31SS*.Hα-helixtrans-57.1-40.7174-70.3175.1-174.900111.9G157 E164 R165G157-E161 PolarHBondContact O-N 3.46Å; E161-E164 PolarHBondContact O-N 2.86Å; E161-R165 VanDerWaalsContact O-CB 3.23Å; E161-R165 WeakPolarHBondContact O-CB 3.33Å; E161-R165 PolarHBondContact O-N 3.25Å
162F93.3Very high93Very high14 Ų1459.5 Ų59.56%0.06131%0.305CS..Hα-helixtrans-63.1-46.4175167.8-97.3000112S158 F159 Q160 E164 R165 E166 L168 V288 I311 K313S158-F162 WeakPolarHBondContact O-CB 3.41Å; S158-F162 PolarHBondContact O-N 2.91Å; F159-F162 HydrophobicContact CD2-CD1 4.26Å; F159-F162 HydrophobicContact CE2-CD1 4.16Å; F159-F162 WeakPolarHBondContact O-CB 3.35Å; F159-F162 PolarHBondContact O-N 3.33Å; Q160-F162 VanDerWaalsContact C-N 3.26Å; Q160-F162 PolarHBondContact O-N 3.36Å; F162-E164 VanDerWaalsContact C-N 3.31Å; F162-E164 PolarHBondContact O-N 2.88Å; F162-R165 PolarHBondContact O-N 3.45Å; F162-E166 HydrophobicContact CD2-CG 3.7Å; F162-E166 HydrophobicContact CE1-CG 4.3Å; F162-E166 HydrophobicContact CE2-CG 3.33Å; F162-E166 HydrophobicContact CG-CG 4.33Å; F162-E166 HydrophobicContact CZ-CG 3.65Å; F162-E166 VanDerWaalsContact O-CB 3.29Å; F162-E166 WeakPolarHBondContact O-CB 3.27Å; F162-E166 VanDerWaalsContact O-CG 3.27Å; F162-E166 WeakPolarHBondContact O-CG 3.29Å; F162-E166 PolarHBondContact O-N 3.35Å; F162-L168 HydrophobicContact CD1-CD1 4.45Å; F162-L168 HydrophobicContact CE1-CD1 3.69Å; F162-L168 HydrophobicContact CZ-CD1 4.2Å; F162-V288 HydrophobicContact CE1-CB 4.12Å; F162-V288 HydrophobicContact CE1-CG1 4.27Å; F162-V288 HydrophobicContact CE1-CG2 4.02Å; F162-V288 HydrophobicContact CZ-CG2 4.47Å; F162-I311 HydrophobicContact CE2-CD1 4.22Å; F162-I311 HydrophobicContact CZ-CD1 3.82Å; F162-K313 HydrophobicContact CD1-CD 3.99Å; F162-K313 HydrophobicContact CE1-CD 3.94Å; F162-K313 VanDerWaalsContact CE1-CE 3.5Å; F162-K313 HydrophobicContact CG-CD 4.35Å; F162-K313 VanDerWaalsContact CG-CE 3.44Å; F162-K313 HydrophobicContact CZ-CD 4.23Å; F162-K313 VanDerWaalsContact CZ-CE 3.42Å
163V93.3Very high93.5Very high7 Ų759.2 Ų59.24%0.04230%0.303CS..Hα-helixtrans-60-43.5178.5165.70000111F159 Q160 N167 L168 I173 F389F159-V163 HydrophobicContact CD1-CG2 4.29Å; F159-V163 HydrophobicContact CE1-CG2 3.83Å; F159-V163 HydrophobicContact CE2-CG2 4.19Å; F159-V163 HydrophobicContact CZ-CG2 3.76Å; F159-V163 WeakPolarHBondContact O-CG2 2.97Å; F159-V163 PolarHBondContact O-N 2.92Å; Q160-V163 PolarHBondContact O-N 2.83Å; Q160-V163 VanDerWaalsContact O-N 3.12Å; V163-N167 PolarHBondContact O-N 3.34Å; V163-N167 VanDerWaalsContact O-N 3.07Å; V163-L168 HydrophobicContact CG1-CB 4.23Å; V163-L168 WeakPolarHBondContact CG1-O 3.44Å; V163-L168 PolarHBondContact O-N 3.41Å; V163-I173 HydrophobicContact CG1-CD1 3.95Å; V163-I173 HydrophobicContact CG2-CD1 3.7Å; V163-I173 HydrophobicContact CG2-CG1 4.44Å; V163-F389 HydrophobicContact CB-CE2 4.28Å; V163-F389 HydrophobicContact CG1-CE2 3.81Å; V163-F389 HydrophobicContact CG1-CZ 3.97Å; V163-F389 HydrophobicContact CG2-CE2 4.34Å
164E93.8Very high93.8Very high125 Ų12555.1 Ų55.158%0.58427%0.274SS*.Hα-helixtrans-66.1-48.4177.8-70.5172.7-167.700111.5Q160 E161 F162 E166 N167Q160-E164 WeakPolarHBondContact CG-OE1 3.36Å; Q160-E164 PolarHBondContact NE2-OE1 2.86Å; Q160-E164 WeakPolarHBondContact O-CG 2.9Å; Q160-E164 PolarHBondContact O-N 3.37Å; E161-E164 PolarHBondContact O-N 2.86Å; F162-E164 VanDerWaalsContact C-N 3.31Å; F162-E164 PolarHBondContact O-N 2.88Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.01Å; E164-N167 PolarHBondContact O-N 2.63Å; E164-N167 VanDerWaalsContact O-N 3.11Å
165R95.1Very high94Very high184 Ų18448.9 Ų48.969%0.69425%0.245SC*.Hα-helixtrans-60.2-41.7178.4-176-17972.4-159.63.1112.5E161 F162 N167E161-R165 VanDerWaalsContact O-CB 3.23Å; E161-R165 WeakPolarHBondContact O-CB 3.33Å; E161-R165 PolarHBondContact O-N 3.25Å; F162-R165 PolarHBondContact O-N 3.45Å; R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 2.92Å
166E92.7Very high94.1Very high56 Ų5647.8 Ų47.826%0.26224%0.24SC..THydrogen-bonded Turntrans-83.3-3.2-179.5-63.8-52.4143.800113.4F162 E164 L168 K286F162-E166 HydrophobicContact CD2-CG 3.7Å; F162-E166 HydrophobicContact CE1-CG 4.3Å; F162-E166 HydrophobicContact CE2-CG 3.33Å; F162-E166 HydrophobicContact CG-CG 4.33Å; F162-E166 HydrophobicContact CZ-CG 3.65Å; F162-E166 VanDerWaalsContact O-CB 3.29Å; F162-E166 WeakPolarHBondContact O-CB 3.27Å; F162-E166 VanDerWaalsContact O-CG 3.27Å; F162-E166 WeakPolarHBondContact O-CG 3.29Å; F162-E166 PolarHBondContact O-N 3.35Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.01Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 HydrophobicContact CB-CD1 4Å; E166-L168 HydrophobicContact CB-CD2 4.39Å; E166-L168 HydrophobicContact CB-CG 3.73Å; E166-L168 PolarHBondContact O-N 2.93Å; E166-K286 PolarHBondContact O-NZ 2.92Å; E166-K286 WeakPolarHBondContact OE2-CE 3.38Å; E166-K286 IonicContact OE2-NZ 3.85Å; E166-K286 PolarHBondContact OE2-NZ 3.14Å
167N93.6Very high94Very high124 Ų12447 Ų4766%0.66324%0.235SC*.THydrogen-bonded Turntrans50.446.3-175.1-167.629.2000113V163 E164 R165V163-N167 PolarHBondContact O-N 3.34Å; V163-N167 VanDerWaalsContact O-N 3.07Å; E164-N167 PolarHBondContact O-N 2.63Å; E164-N167 VanDerWaalsContact O-N 3.11Å; R165-N167 VanDerWaalsContact C-N 3.26Å; R165-N167 PolarHBondContact O-N 2.92Å
168L94.5Very high93.8Very high10 Ų1046 Ų465%0.05222%0.22CC..  trans-84.7131.5-177.1-64.4174.9000111.4F162 V163 E166 Q172 I173 K286 V288F162-L168 HydrophobicContact CD1-CD1 4.45Å; F162-L168 HydrophobicContact CE1-CD1 3.69Å; F162-L168 HydrophobicContact CZ-CD1 4.2Å; V163-L168 HydrophobicContact CG1-CB 4.23Å; V163-L168 WeakPolarHBondContact CG1-O 3.44Å; V163-L168 PolarHBondContact O-N 3.41Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 HydrophobicContact CB-CD1 4Å; E166-L168 HydrophobicContact CB-CD2 4.39Å; E166-L168 HydrophobicContact CB-CG 3.73Å; E166-L168 PolarHBondContact O-N 2.93Å; L168-Q172 HydrophobicContact CD2-CB 4.21Å; L168-I173 HydrophobicContact CB-CG1 4.38Å; L168-K286 HydrophobicContact CD2-CD 3.86Å; L168-K286 HydrophobicContact CD2-CG 3.94Å; L168-V288 HydrophobicContact CD1-CB 4.27Å; L168-V288 HydrophobicContact CD1-CG1 3.86Å
169Q94.5Very high93.4Very high87 Ų8743.6 Ų43.641%0.40720%0.204SC..  trans-81.8156.6170.9-60.4-58.7-48.600110.9E171 Q172 L283Q169-E171 PolarHBondContact O-N 3.42Å; Q169-Q172 WeakPolarHBondContact O-CA 3.34Å; Q169-Q172 WeakPolarHBondContact O-CB 3.21Å; Q169-Q172 PolarHBondContact O-N 2.91Å; Q169-L283 HydrophobicContact CG-CD2 4.4Å
170P94.6Very high93Very high25 Ų2543.5 Ų43.516%0.16220%0.204CC..G310 helixtrans-52.9-28.8173.6-28.136000113.8Q172 I173 A217 T218 F389 N392P170-Q172 PolarHBondContact O-N 2.82Å; P170-I173 PolarHBondContact O-N 2.79Å; P170-A217 HydrophobicContact CB-CB 4.2Å; P170-A217 WeakPolarHBondContact O-CB 3.49Å; P170-A217 PolarHBondContact O-N 3.12Å; P170-T218 HydrophobicContact CB-CG2 3.6Å; P170-F389 HydrophobicContact CG-CE1 4.25Å; P170-N392 WeakPolarHBondContact CB-OD1 3.5Å; P170-N392 VanDerWaalsContact CG-OD1 3.28Å; P170-N392 WeakPolarHBondContact CG-OD1 3.28Å
171E95.7Very high92.7Very high19 Ų1939.4 Ų39.49%0.08918%0.184CC..G310 helixtrans-66.5-21.6176.8-154.265.3-156.400113.5Q169 Y174 N216 T218 H277 L278 K281 L283Q169-E171 PolarHBondContact O-N 3.42Å; E171-Y174 WeakPolarHBondContact O-CE2 3.33Å; E171-Y174 PolarHBondContact O-OH 2.83Å; E171-N216 PolarHBondContact O-ND2 3.21Å; E171-N216 PolarHBondContact OE1-ND2 3.03Å; E171-N216 PolarHBondContact OE2-ND2 3.39Å; E171-T218 WeakPolarHBondContact OE2-CB 3.12Å; E171-T218 WeakPolarHBondContact OE2-CG2 3.29Å; E171-T218 PolarHBondContact OE2-OG1 2.89Å; E171-H277 IonicContact OE1-CD2 3.78Å; E171-H277 IonicContact OE1-CE1 2.69Å; E171-H277 PolarHBondContact OE1-CE1 3.34Å; E171-H277 IonicContact OE1-NE2 3.64Å; E171-H277 PolarHBondContact OE1-NE2 2.71Å; E171-L278 HydrophobicContact CG-CD2 4.42Å; E171-K281 HydrophobicContact CG-CG 4.42Å; E171-L283 HydrophobicContact CB-CD1 3.72Å; E171-L283 HydrophobicContact CG-CD1 3.96Å
172Q97.2Very high92.2Very high9 Ų934.4 Ų34.44%0.04216%0.161CC..G310 helixtrans-99.3-2-177.7-63.2173.4-83.400113.1L168 Q169 P170 L278 L283 L284 K286 A287 V288L168-Q172 HydrophobicContact CD2-CB 4.21Å; Q169-Q172 WeakPolarHBondContact O-CA 3.34Å; Q169-Q172 WeakPolarHBondContact O-CB 3.21Å; Q169-Q172 PolarHBondContact O-N 2.91Å; P170-Q172 PolarHBondContact O-N 2.82Å; Q172-L278 HydrophobicContact CG-CD1 4.21Å; Q172-L278 HydrophobicContact CG-CD2 3.67Å; Q172-L283 HydrophobicContact CG-CD1 4.44Å; Q172-L284 PolarHBondContact NE2-O 3.11Å; Q172-K286 WeakPolarHBondContact CB-O 3.42Å; Q172-K286 VanDerWaalsContact CG-O 3.28Å; Q172-K286 WeakPolarHBondContact CG-O 3.2Å; Q172-K286 PolarHBondContact NE2-O 3.2Å; Q172-A287 CarbonylContact O-C 3.56Å; Q172-A287 WeakPolarHBondContact O-CA 3.47Å; Q172-A287 VanDerWaalsContact O-CB 3.3Å; Q172-A287 WeakPolarHBondContact O-CB 3.32Å; Q172-V288 PolarHBondContact O-N 2.93Å
173I97Very high91.8Very high0 Ų034.3 Ų34.30%016%0.16CC..EExtended strand (participates in β ladder)trans-105.7118-178.8-58.8169.3000108.5F159 V163 L168 P170 N216 A217 V288 L290 W385 F389F159-I173 HydrophobicContact CE1-CG2 4.32Å; F159-I173 HydrophobicContact CZ-CG2 3.83Å; V163-I173 HydrophobicContact CG1-CD1 3.95Å; V163-I173 HydrophobicContact CG2-CD1 3.7Å; V163-I173 HydrophobicContact CG2-CG1 4.44Å; L168-I173 HydrophobicContact CB-CG1 4.38Å; P170-I173 PolarHBondContact O-N 2.79Å; I173-N216 CarbonylContact O-C 3.47Å; I173-N216 WeakPolarHBondContact O-CA 3.46Å; I173-N216 WeakPolarHBondContact O-CB 3.37Å; I173-A217 HydrophobicContact CB-CB 4.16Å; I173-A217 HydrophobicContact CG2-CB 4.4Å; I173-A217 PolarHBondContact O-N 3.21Å; I173-V288 HydrophobicContact CB-CG1 4.26Å; I173-V288 HydrophobicContact CG1-CG1 4.02Å; I173-V288 HydrophobicContact CG2-CG1 4.11Å; I173-L290 HydrophobicContact CG2-CD1 4.35Å; I173-W385 HydrophobicContact CG2-CE3 4.44Å; I173-W385 HydrophobicContact CG2-CH2 3.67Å; I173-W385 HydrophobicContact CG2-CZ3 3.54Å; I173-F389 HydrophobicContact CD1-CE1 4.42Å; I173-F389 HydrophobicContact CD1-CE2 4.49Å; I173-F389 HydrophobicContact CD1-CZ 4.3Å
174Y97.4Very high91.2Very high0 Ų035.5 Ų35.50%017%0.165CC..EExtended strand (participates in β ladder)trans-116.6149.2-177.9-70.2-102.4000111.3E171 A215 N216 H221 L223 F270 V274 A287 V288 L289 L290E171-Y174 WeakPolarHBondContact O-CE2 3.33Å; E171-Y174 PolarHBondContact O-OH 2.83Å; Y174-A215 WeakPolarHBondContact CA-O 3.25Å; Y174-N216 HydrophobicContact CD1-CB 3.93Å; Y174-N216 HydrophobicContact CD2-CB 4.31Å; Y174-N216 HydrophobicContact CE1-CB 3.66Å; Y174-N216 HydrophobicContact CE2-CB 4.03Å; Y174-N216 HydrophobicContact CG-CB 4.24Å; Y174-H221 AromaticContact CE1-ND1 3.47Å; Y174-H221 WeakPolarHBondContact CE1-ND1 3.1Å; Y174-H221 AromaticContact CZ-ND1 3.56Å; Y174-H221 PolarHBondContact OH-ND1 3.38Å; Y174-L223 HydrophobicContact CD1-CD1 3.99Å; Y174-L223 HydrophobicContact CE1-CD1 3.79Å; Y174-F270 AromaticContact CD1-CE2 3.9Å; Y174-F270 HydrophobicContact CD1-CE2 3.9Å; Y174-F270 HydrophobicContact CD1-CZ 4.42Å; Y174-F270 HydrophobicContact CD2-CZ 4.24Å; Y174-F270 AromaticContact CG-CE2 3.85Å; Y174-F270 HydrophobicContact CG-CE2 3.85Å; Y174-F270 AromaticContact CG-CZ 3.94Å; Y174-F270 HydrophobicContact CG-CZ 3.94Å; Y174-V274 HydrophobicContact CD1-CG2 4.36Å; Y174-V274 HydrophobicContact CD2-CG2 4.47Å; Y174-V274 HydrophobicContact CE1-CG2 3.89Å; Y174-V274 HydrophobicContact CE2-CG1 3.83Å; Y174-V274 HydrophobicContact CE2-CG2 4.04Å; Y174-A287 HydrophobicContact CD2-CB 4.29Å; Y174-A287 HydrophobicContact CE2-CB 4.32Å; Y174-V288 PolarHBondContact N-O 3.3Å; Y174-L289 CarbonylContact O-C 3.51Å; Y174-L289 WeakPolarHBondContact O-CA 3.4Å; Y174-L290 PolarHBondContact O-N 3.49Å
175G95Very high90Very high0 Ų029.6 Ų29.60%014%0.137CC..EExtended strand (participates in β ladder)trans-129.7138.5172.600000108.9C214 A215 W385G175-C214 WeakPolarHBondContact O-CA 3.27Å; G175-A215 PolarHBondContact N-O 2.85Å; G175-A215 PolarHBondContact O-N 3.31Å; G175-W385 VanDerWaalsContact N-CZ2 3.31Å
176A93.1Very high88.6Confident0 Ų021.5 Ų21.50%011%0.107CC..EExtended strand (participates in β ladder)trans-131.5138.2172.600000110.8M212 C213 C214 L289 L290 L291 Q324A176-M212 HydrophobicContact CB-CG 4.35Å; A176-M212 HydrophobicContact CB-SD 4.34Å; A176-C213 VanDerWaalsContact CA-O 3.25Å; A176-C213 WeakPolarHBondContact CA-O 3.43Å; A176-C214 HydrophobicContact CB-CB 3.87Å; A176-L289 HydrophobicContact CB-CD1 3.91Å; A176-L290 PolarHBondContact N-O 3.34Å; A176-L290 VanDerWaalsContact N-O 3.08Å; A176-L291 HydrophobicContact CB-CD2 3.8Å; A176-Q324 PolarHBondContact O-NE2 3.16Å
177D89.8Confident86.9Confident11 Ų1120.9 Ų20.96%0.05911%0.108CC..EExtended strand (participates in β ladder)trans-146.9154.2173.8-172.312.6000109M212 C213 Q324 M326 S327 L331D177-M212 WeakPolarHBondContact O-CA 3.47Å; D177-M212 WeakPolarHBondContact O-CG 3.27Å; D177-C213 PolarHBondContact N-O 3.36Å; D177-C213 PolarHBondContact O-N 2.79Å; D177-Q324 HydrophobicContact CB-CG 4.21Å; D177-M326 HydrophobicContact CB-CB 3.43Å; D177-M326 VanDerWaalsContact CB-CB 3.43Å; D177-M326 HydrophobicContact CB-CG 4.28Å; D177-S327 WeakPolarHBondContact OD2-CB 3.03Å; D177-S327 PolarHBondContact OD2-OG 3.02Å; D177-L331 HydrophobicContact CB-CD1 3.89Å; D177-L331 WeakPolarHBondContact OD2-CD1 3.38Å
178Q86.9Confident84.8Confident11 Ų1119.1 Ų19.15%0.05111%0.105CC..EExtended strand (participates in β ladder)trans-114.4150.7-175.660.3178.8-23.200112I210 I211 M212 W256 I257 F293Q178-I210 HydrophobicContact CB-CG2 4.16Å; Q178-I211 CarbonylContact C-O 3.55Å; Q178-I211 VanDerWaalsContact CA-O 3.27Å; Q178-I211 WeakPolarHBondContact CA-O 3.32Å; Q178-M212 HydrophobicContact CB-CB 4.04Å; Q178-M212 HydrophobicContact CB-CG 4.34Å; Q178-W256 HydrophobicContact CG-CE3 3.95Å; Q178-W256 HydrophobicContact CG-CZ3 4.12Å; Q178-I257 HydrophobicContact CB-CD1 4.35Å; Q178-I257 VanDerWaalsContact OE1-CG1 3.23Å; Q178-F293 HydrophobicContact CG-CE1 4.09Å
179T84.8Confident82.2Confident11 Ų1129.2 Ų29.27%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-144.8153.1173.7-160.40000111.6I211 L331 K335T179-I211 HydrophobicContact CG2-CD1 3.92Å; T179-I211 HydrophobicContact CG2-CG1 3.57Å; T179-I211 PolarHBondContact N-O 3.08Å; T179-I211 PolarHBondContact O-N 2.88Å; T179-L331 HydrophobicContact CG2-CB 4.37Å; T179-L331 HydrophobicContact CG2-CD2 3.91Å; T179-K335 WeakPolarHBondContact OG1-CE 3.29Å; T179-K335 PolarHBondContact OG1-NZ 3Å
180G84.9Confident79.4Confident1 Ų127.8 Ų27.81%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-73.2131.5167.400000111.9R208 K335G180-R208 VanDerWaalsContact CA-CZ 3.48Å; G180-R208 VanDerWaalsContact CA-NH2 3.32Å; G180-K335 WeakPolarHBondContact O-CE 3.3Å; G180-K335 PolarHBondContact O-NZ 3.48Å
181L85.9Confident76.8Confident1 Ų130.2 Ų30.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-114.4114.9168.5-174.571.6000109.7W183 R208 I209 I211 K335 Y338 V369L181-W183 PolarHBondContact O-N 3.36Å; L181-R208 VanDerWaalsContact O-CA 3.32Å; L181-R208 WeakPolarHBondContact O-CA 3.41Å; L181-I209 HydrophobicContact CB-CG1 4.01Å; L181-I209 HydrophobicContact CD2-CD1 4.18Å; L181-I209 HydrophobicContact CD2-CG1 4.3Å; L181-I209 PolarHBondContact N-O 2.87Å; L181-I209 PolarHBondContact O-N 3.39Å; L181-I211 HydrophobicContact CB-CD1 4.35Å; L181-I211 HydrophobicContact CB-CG2 4.3Å; L181-I211 HydrophobicContact CD2-CG2 4.43Å; L181-K335 HydrophobicContact CD1-CG 4.03Å; L181-Y338 HydrophobicContact CD1-CD1 3.79Å; L181-Y338 HydrophobicContact CD1-CE1 4.17Å; L181-Y338 HydrophobicContact CD1-CG 4.17Å; L181-Y338 HydrophobicContact CD2-CD1 4.21Å; L181-Y338 HydrophobicContact CD2-CD2 4.03Å; L181-Y338 HydrophobicContact CD2-CE1 4.17Å; L181-Y338 HydrophobicContact CD2-CE2 3.99Å; L181-Y338 HydrophobicContact CD2-CG 4.14Å; L181-Y338 HydrophobicContact CG-CD1 4.39Å; L181-Y338 HydrophobicContact CG-CE1 4.34Å; L181-V369 HydrophobicContact CD2-CB 4.05Å; L181-V369 HydrophobicContact CD2-CG2 3.85Å
182F84Confident73.5Confident27 Ų2734.5 Ų34.512%0.11818%0.179CC..EExtended strand (participates in β ladder)trans-7898.5165.3-68.8-89.2000107.7K184 C185 R208 N437F182-K184 PolarHBondContact O-N 3.01Å; F182-C185 HydrophobicContact CB-CB 4.42Å; F182-C185 PolarHBondContact O-SG 3.26Å; F182-R208 HydrophobicContact CD1-CB 4.23Å; F182-R208 HydrophobicContact CE1-CB 4.07Å; F182-R208 HydrophobicContact CZ-CB 4.37Å; F182-R208 HydrophobicContact CZ-CG 4.49Å; F182-N437 HydrophobicContact CB-CB 4.34Å; F182-N437 HydrophobicContact CD2-CB 3.84Å; F182-N437 WeakPolarHBondContact CD2-O 3.4Å; F182-N437 HydrophobicContact CE2-CB 4.45Å; F182-N437 WeakPolarHBondContact CE2-O 3.36Å; F182-N437 HydrophobicContact CG-CB 4.08Å; F182-N437 WeakPolarHBondContact CZ-O 3.46Å
183W84.2Confident70.2Confident13 Ų1341.5 Ų41.55%0.04922%0.216CC..SBendtrans-80-8.9-172.560.8-91.8000112.8L181 E207 Y338 L360 T361 V362 A365L181-W183 PolarHBondContact O-N 3.36Å; W183-E207 HydrophobicContact CZ2-CB 3.75Å; W183-E207 HydrophobicContact CZ2-CG 4.29Å; W183-E207 WeakPolarHBondContact CZ2-OE2 3.24Å; W183-E207 PolarHBondContact N-O 3.29Å; W183-Y338 VanDerWaalsContact CA-OH 3.24Å; W183-Y338 WeakPolarHBondContact CA-OH 3.47Å; W183-Y338 VanDerWaalsContact CB-OH 3.31Å; W183-Y338 WeakPolarHBondContact CB-OH 2.99Å; W183-Y338 PolarHBondContact O-OH 3.06Å; W183-L360 HydrophobicContact CE3-CD2 4.23Å; W183-L360 HydrophobicContact CE3-CG 4.43Å; W183-L360 HydrophobicContact CZ3-CD2 4.45Å; W183-L360 HydrophobicContact CZ3-CG 4.31Å; W183-L360 WeakPolarHBondContact CZ3-O 3.41Å; W183-L360 WeakPolarHBondContact O-CD2 3.44Å; W183-T361 VanDerWaalsContact CZ3-C 3.44Å; W183-V362 HydrophobicContact CH2-CB 4.29Å; W183-V362 HydrophobicContact CZ2-CB 4.08Å; W183-A365 HydrophobicContact CB-CB 3.55Å; W183-A365 HydrophobicContact CD2-CB 4.13Å; W183-A365 HydrophobicContact CE3-CB 3.98Å; W183-A365 HydrophobicContact CG-CB 4Å
184K81.4Confident66.8Low32 Ų3250.9 Ų50.914%0.13926%0.26CS..SBendtrans-103.362165.4-72.3-179.8171.3163.10112.4F182 E207 W357 L360F182-K184 PolarHBondContact O-N 3.01Å; K184-E207 IonicContact NZ-OE1 3.41Å; K184-E207 PolarHBondContact NZ-OE1 3.18Å; K184-W357 HydrophobicContact CB-CE3 3.72Å; K184-W357 HydrophobicContact CB-CH2 4.04Å; K184-W357 HydrophobicContact CB-CZ3 3.38Å; K184-W357 HydrophobicContact CD-CE3 4.23Å; K184-W357 HydrophobicContact CG-CE3 3.75Å; K184-W357 HydrophobicContact CG-CZ3 3.7Å; K184-W357 WeakPolarHBondContact O-CH2 3.23Å; K184-L360 HydrophobicContact CG-CD2 4.25Å
185C68.1Low63.5Low1 Ų156.9 Ų56.91%0.00730%0.297CS..  trans-122.6100.7175.267.70000113.9F182 L342 W357 W431 N437F182-C185 HydrophobicContact CB-CB 4.42Å; F182-C185 PolarHBondContact O-SG 3.26Å; C185-L342 WeakPolarHBondContact O-CD2 3.48Å; C185-W357 VanDerWaalsContact C-CH2 3.48Å; C185-W431 WeakPolarHBondContact O-CZ2 3.29Å; C185-N437 WeakPolarHBondContact CB-ND2 3.43Å
186L64.6Low60.3Low13 Ų1364.2 Ų64.27%0.06833%0.331CS..  trans-101.3161.9163.7-71.3172.4000107.5S188 L342 Y346 F356 W357L186-S188 PolarHBondContact O-N 3.37Å; L186-S188 VanDerWaalsContact O-N 3.16Å; L186-L342 HydrophobicContact CD2-CD2 4.18Å; L186-L342 HydrophobicContact CD2-CG 4.01Å; L186-L342 HydrophobicContact CG-CD2 4.47Å; L186-Y346 HydrophobicContact CD1-CD2 4.21Å; L186-Y346 HydrophobicContact CD1-CG 4.36Å; L186-F356 HydrophobicContact CD1-CD1 3.66Å; L186-F356 HydrophobicContact CD1-CE1 3.93Å; L186-F356 HydrophobicContact CD2-CE1 4.28Å; L186-F356 HydrophobicContact CG-CE1 4.36Å; L186-W357 HydrophobicContact CB-CH2 3.85Å; L186-W357 HydrophobicContact CB-CZ2 3.35Å; L186-W357 HydrophobicContact CD1-CD2 4.48Å; L186-W357 HydrophobicContact CD1-CH2 4.12Å; L186-W357 HydrophobicContact CD1-CZ2 3.73Å; L186-W357 HydrophobicContact CG-CH2 3.56Å; L186-W357 HydrophobicContact CG-CZ2 3.44Å; L186-W357 VanDerWaalsContact CG-CZ2 3.44Å; L186-W357 HydrophobicContact CG-CZ3 4.42Å
187P57.1Low57.4Low43 Ų4372.8 Ų72.828%0.27937%0.371SS..  trans-55.7120.8174.8-2030.8000110.4R189 W431P187-R189 VanDerWaalsContact C-N 3.35Å; P187-R189 PolarHBondContact O-N 2.9Å; P187-W431 HydrophobicContact CB-CD2 4.3Å; P187-W431 HydrophobicContact CB-CG 4.17Å; P187-W431 VanDerWaalsContact CD-CZ2 3.5Å; P187-W431 HydrophobicContact CG-CD2 3.67Å; P187-W431 HydrophobicContact CG-CE3 3.98Å; P187-W431 HydrophobicContact CG-CG 4.07Å; P187-W431 HydrophobicContact CG-CH2 4.1Å; P187-W431 HydrophobicContact CG-CZ2 3.9Å; P187-W431 HydrophobicContact CG-CZ3 4.17Å
188S49.3Very low54.8Low87 Ų8777.6 Ų77.661%0.60841%0.405SS*.SBendtrans-90.510.6-173.747.70000114.3L186L186-S188 PolarHBondContact O-N 3.37Å; L186-S188 VanDerWaalsContact O-N 3.16Å
189R40.5Very low51.8Low223 Ų22383 Ų8384%0.84244%0.44SS*.SBendtrans-155.976.1-176.6-74.3-169.3166.8160.6-6.3112.3P187P187-R189 VanDerWaalsContact C-N 3.35Å; P187-R189 PolarHBondContact O-N 2.9Å
190T36.8Very low49.4Very low57 Ų5788.3 Ų88.335%0.3548%0.477SS..SBendtrans-171.2-8.6156.212.90000114.5T192 V423T190-T192 VanDerWaalsContact C-N 3.29Å; T190-T192 PolarHBondContact O-N 3.21Å; T190-V423 HydrophobicContact CG2-CG2 4.24Å
191L38.6Very low46.9Very low75 Ų7591.8 Ų91.839%0.39351%0.512SS..SBendtrans-89.721.2175-68.9171000114.1Y346 P353 C420L191-Y346 HydrophobicContact CD1-CE1 4.17Å; L191-P353 HydrophobicContact CD1-CG 3.81Å; L191-C420 VanDerWaalsContact CD2-SG 3.58Å
192T27.3Very low44.4Very low109 Ų10996.7 Ų96.767%0.66955%0.546SS*.SBendtrans-130.6105.5171.929.80000107.6T190T190-T192 VanDerWaalsContact C-N 3.29Å; T190-T192 PolarHBondContact O-N 3.21Å
193L27.2Very low42.2Very low156 Ų156106.2 Ų106.282%0.81758%0.581SS**  trans-40.3140.1159.3-82.7149.2000109.3T195L193-T195 PolarHBondContact O-N 3.02Å
194E27.1Very low40.4Very low198 Ų198107.4 Ų107.493%0.92559%0.591SS**THydrogen-bonded Turntrans-62.223.7-172.1-66.3-173.6133.800116
195T27.7Very low38.9Very low126 Ų126108 Ų10877%0.77360%0.6SS**THydrogen-bonded Turntrans-105.7-6.1-174.329.90000115.9L193L193-T195 PolarHBondContact O-N 3.02Å
196E26.8Very low38.4Very low154 Ų154118 Ų11872%0.7264%0.637SS**  trans-108.172.5175.4-66.4-160.817200113.1S198E196-S198 PolarHBondContact O-N 3.22Å
197Q33Very low38.8Very low180 Ų180121 Ų12184%0.84165%0.651SS**  trans-65.8116.5154.2-72.9-177.59.700108.7
198S35.4Very low40Very low112 Ų112120.8 Ų120.878%0.78365%0.645SS**  trans80.674.7161.2-41.80000117E196E196-S198 PolarHBondContact O-N 3.22Å
199T23.6Very low42Very low125 Ų125116.9 Ų116.977%0.76762%0.617SS**  trans-141148.6135.956.70000111.1
200S33.7Very low44.3Very low121 Ų121106.6 Ų106.685%0.84658%0.578SS**  trans-62.8133-174.152.40000114.2
201G32.8Very low47Very low74 Ų74103.9 Ų103.976%0.76356%0.562SS**  trans9969.2136.600000118.3
202C33.8Very low49.6Very low105 Ų105100.4 Ų100.471%0.70954%0.543SS*.  trans-101.273.1142.4-164.20000108.3S204C202-S204 PolarHBondContact O-N 3.37Å
203R37.1Very low52.8Low226 Ų22695.2 Ų95.285%0.85351%0.512SS*.  trans-71.5105.6166.4-88.7-179.1176.7169.20.2106.1S205R203-S205 PolarHBondContact O-N 2.81Å; R203-S205 VanDerWaalsContact O-N 3.07Å
204S47.3Very low56.1Low38 Ų3887.9 Ų87.927%0.26647%0.474SS..  trans-44.4121.3163.6-41.70000107.6C202 R206C202-S204 PolarHBondContact O-N 3.37Å; S204-R206 PolarHBondContact O-N 3.1Å; S204-R206 VanDerWaalsContact O-N 3.08Å
205S48.7Very low59.5Low45 Ų4578.5 Ų78.532%0.31543%0.43SS..  trans-55.3121.6-179.9-172.90000107.7R203 E207R203-S205 PolarHBondContact O-N 2.81Å; R203-S205 VanDerWaalsContact O-N 3.07Å; S205-E207 PolarHBondContact O-N 3.12Å; S205-E207 VanDerWaalsContact OG-CG 3.28Å; S205-E207 WeakPolarHBondContact OG-CG 3.31Å; S205-E207 PolarHBondContact OG-OE1 3.13Å
206R58.9Low62.8Low211 Ų21172.5 Ų72.580%0.79639%0.393SS*.  trans-75.435-178.9-62.8-178.3179.6-175.6-1.4111.6S204 R208S204-R206 PolarHBondContact O-N 3.1Å; S204-R206 VanDerWaalsContact O-N 3.08Å; R206-R208 PolarHBondContact O-N 2.98Å
207E71.9Confident66.1Low77 Ų7765.1 Ų65.136%0.3636%0.359SS..  trans-78.9117177.8-73.2177.1-98.100108.3W183 K184 S205W183-E207 HydrophobicContact CZ2-CB 3.75Å; W183-E207 HydrophobicContact CZ2-CG 4.29Å; W183-E207 WeakPolarHBondContact CZ2-OE2 3.24Å; W183-E207 PolarHBondContact N-O 3.29Å; K184-E207 IonicContact NZ-OE1 3.41Å; K184-E207 PolarHBondContact NZ-OE1 3.18Å; S205-E207 PolarHBondContact O-N 3.12Å; S205-E207 VanDerWaalsContact OG-CG 3.28Å; S205-E207 WeakPolarHBondContact OG-CG 3.31Å; S205-E207 PolarHBondContact OG-OE1 3.13Å
208R83.5Confident69Low38 Ų3857.8 Ų57.814%0.14333%0.326CS..EExtended strand (participates in β ladder)trans-120.9138.7-176.6176.8-179.9165.4176.91.6108.9G180 L181 F182 R206 A255 S440G180-R208 VanDerWaalsContact CA-CZ 3.48Å; G180-R208 VanDerWaalsContact CA-NH2 3.32Å; L181-R208 VanDerWaalsContact O-CA 3.32Å; L181-R208 WeakPolarHBondContact O-CA 3.41Å; F182-R208 HydrophobicContact CD1-CB 4.23Å; F182-R208 HydrophobicContact CE1-CB 4.07Å; F182-R208 HydrophobicContact CZ-CB 4.37Å; F182-R208 HydrophobicContact CZ-CG 4.49Å; R206-R208 PolarHBondContact O-N 2.98Å; R208-A255 PolarHBondContact NH2-O 2.96Å; R208-S440 PolarHBondContact NH1-OG 2.67Å
209I89.6Confident71.7Confident4 Ų452.5 Ų52.52%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-112.3156.816160-179000108.3L181 I211 V227 V362L181-I209 HydrophobicContact CB-CG1 4.01Å; L181-I209 HydrophobicContact CD2-CD1 4.18Å; L181-I209 HydrophobicContact CD2-CG1 4.3Å; L181-I209 PolarHBondContact N-O 2.87Å; L181-I209 PolarHBondContact O-N 3.39Å; I209-I211 HydrophobicContact CD1-CG2 4.27Å; I209-I211 HydrophobicContact CG1-CG2 4.23Å; I209-V227 HydrophobicContact CB-CG1 4.3Å; I209-V227 HydrophobicContact CD1-CG1 3.96Å; I209-V362 HydrophobicContact CG2-CG2 3.96Å
210I88.9Confident75.1Confident7 Ų751.8 Ų51.84%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-98.8133.6171.4-56.2152.4000106.4Q178 V227 V228 Q252 A255 I257Q178-I210 HydrophobicContact CB-CG2 4.16Å; I210-V227 CarbonylContact O-C 3.59Å; I210-V227 WeakPolarHBondContact O-CA 3.44Å; I210-V228 HydrophobicContact CB-CB 4.25Å; I210-V228 HydrophobicContact CD1-CB 4.34Å; I210-V228 PolarHBondContact N-O 3.32Å; I210-V228 PolarHBondContact O-N 3.04Å; I210-Q252 VanDerWaalsContact CD1-NE2 3.32Å; I210-A255 VanDerWaalsContact CD1-O 3.27Å; I210-A255 WeakPolarHBondContact CD1-O 3.42Å; I210-A255 WeakPolarHBondContact CG1-O 3.34Å; I210-I257 HydrophobicContact CG2-CD1 4.4Å; I210-I257 HydrophobicContact CG2-CG1 4.02Å
211I93.1Very high78.1Confident0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-120.2135.417368.5179000108.2Q178 T179 L181 I209 C226 V227 V334 V369Q178-I211 CarbonylContact C-O 3.55Å; Q178-I211 VanDerWaalsContact CA-O 3.27Å; Q178-I211 WeakPolarHBondContact CA-O 3.32Å; T179-I211 HydrophobicContact CG2-CD1 3.92Å; T179-I211 HydrophobicContact CG2-CG1 3.57Å; T179-I211 PolarHBondContact N-O 3.08Å; T179-I211 PolarHBondContact O-N 2.88Å; L181-I211 HydrophobicContact CB-CD1 4.35Å; L181-I211 HydrophobicContact CB-CG2 4.3Å; L181-I211 HydrophobicContact CD2-CG2 4.43Å; I209-I211 HydrophobicContact CD1-CG2 4.27Å; I209-I211 HydrophobicContact CG1-CG2 4.23Å; I211-C226 CarbonylContact C-O 3.5Å; I211-C226 WeakPolarHBondContact CA-O 3.13Å; I211-V227 HydrophobicContact CG2-CG2 4.18Å; I211-V334 HydrophobicContact CD1-CG1 3.98Å; I211-V369 HydrophobicContact CD1-CG2 3.72Å; I211-V369 HydrophobicContact CG2-CG2 4.28Å
212M93.6Very high81.1Confident2 Ų246.1 Ų46.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-117.8124.2171.8-180179.276.400109.3A176 D177 Q178 C226 I257 F262 W265A176-M212 HydrophobicContact CB-CG 4.35Å; A176-M212 HydrophobicContact CB-SD 4.34Å; D177-M212 WeakPolarHBondContact O-CA 3.47Å; D177-M212 WeakPolarHBondContact O-CG 3.27Å; Q178-M212 HydrophobicContact CB-CB 4.04Å; Q178-M212 HydrophobicContact CB-CG 4.34Å; M212-C226 HydrophobicContact CB-CB 4.18Å; M212-C226 HydrophobicContact CE-CB 3.86Å; M212-C226 PolarHBondContact N-O 3.31Å; M212-C226 PolarHBondContact O-N 2.88Å; M212-I257 HydrophobicContact CB-CD1 3.48Å; M212-I257 VanDerWaalsContact CB-CD1 3.48Å; M212-I257 HydrophobicContact CE-CD1 4.26Å; M212-I257 HydrophobicContact CG-CD1 4.17Å; M212-I257 HydrophobicContact SD-CD1 3.73Å; M212-F262 HydrophobicContact CE-CD2 4.15Å; M212-F262 HydrophobicContact CE-CE2 4.12Å; M212-F262 HydrophobicContact SD-CD2 4.12Å; M212-F262 HydrophobicContact SD-CE2 4.08Å; M212-W265 HydrophobicContact CE-CD2 3.48Å; M212-W265 VanDerWaalsContact CE-CD2 3.48Å; M212-W265 HydrophobicContact CE-CE3 3.56Å; M212-W265 HydrophobicContact CE-CG 4.14Å; M212-W265 HydrophobicContact CE-CH2 3.79Å; M212-W265 HydrophobicContact CE-CZ2 3.72Å; M212-W265 HydrophobicContact CE-CZ3 3.72Å
213C95.3Very high84.1Confident0 Ų041.2 Ų41.20%019%0.186CC..EExtended strand (participates in β ladder)trans-97.7139.6176.5-61.50000108.6A176 D177 L225 M326 L331 W373A176-C213 VanDerWaalsContact CA-O 3.25Å; A176-C213 WeakPolarHBondContact CA-O 3.43Å; D177-C213 PolarHBondContact N-O 3.36Å; D177-C213 PolarHBondContact O-N 2.79Å; C213-L225 HydrophobicContact CB-CD2 4.31Å; C213-L225 WeakPolarHBondContact SG-CD2 3.43Å; C213-M326 HydrophobicContact CB-SD 4.45Å; C213-L331 HydrophobicContact CB-CD2 4.04Å; C213-W373 HydrophobicContact CB-CE3 4.49Å; C213-W373 HydrophobicContact CB-CH2 3.98Å; C213-W373 HydrophobicContact CB-CZ2 4.26Å; C213-W373 HydrophobicContact CB-CZ3 4.11Å
214C96.8Very high86.8Confident3 Ų334.5 Ų34.52%0.0217%0.167CC..EExtended strand (participates in β ladder)trans-139.1129.2174.8-177.50000110G175 A176 L223 W265G175-C214 WeakPolarHBondContact O-CA 3.27Å; A176-C214 HydrophobicContact CB-CB 3.87Å; C214-L223 HydrophobicContact CB-CB 4.31Å; C214-L223 HydrophobicContact CB-CD1 4.44Å; C214-L223 PolarHBondContact O-N 3.46Å; C214-W265 HydrophobicContact CB-CH2 4.05Å; C214-W265 HydrophobicContact CB-CZ2 3.93Å
215A97.6Very high89.1Confident0 Ų032.8 Ų32.80%016%0.155CC..EExtended strand (participates in β ladder)trans-151158.8177.700000111.3Y174 G175 H221 K222 M326 W373 I381Y174-A215 WeakPolarHBondContact CA-O 3.25Å; G175-A215 PolarHBondContact N-O 2.85Å; G175-A215 PolarHBondContact O-N 3.31Å; A215-H221 VanDerWaalsContact CA-O 3.27Å; A215-H221 WeakPolarHBondContact CA-O 3.42Å; A215-K222 HydrophobicContact CB-CG 4.08Å; A215-M326 HydrophobicContact CB-CE 4.38Å; A215-W373 HydrophobicContact CB-CH2 4.13Å; A215-W373 HydrophobicContact CB-CZ2 4.25Å; A215-I381 HydrophobicContact CB-CD1 3.84Å; A215-I381 HydrophobicContact CB-CG2 4.24Å
216N96.9Very high91.2Very high0 Ų030.6 Ų30.60%014%0.14CC..EExtended strand (participates in β ladder)trans-79.6169.4173.668.2-7.9000113.4E171 I173 Y174 T218 G219 L220 H221 I381E171-N216 PolarHBondContact O-ND2 3.21Å; E171-N216 PolarHBondContact OE1-ND2 3.03Å; E171-N216 PolarHBondContact OE2-ND2 3.39Å; I173-N216 CarbonylContact O-C 3.47Å; I173-N216 WeakPolarHBondContact O-CA 3.46Å; I173-N216 WeakPolarHBondContact O-CB 3.37Å; Y174-N216 HydrophobicContact CD1-CB 3.93Å; Y174-N216 HydrophobicContact CD2-CB 4.31Å; Y174-N216 HydrophobicContact CE1-CB 3.66Å; Y174-N216 HydrophobicContact CE2-CB 4.03Å; Y174-N216 HydrophobicContact CG-CB 4.24Å; N216-T218 VanDerWaalsContact CG-OG1 3.31Å; N216-T218 PolarHBondContact ND2-OG1 3.29Å; N216-T218 VanDerWaalsContact ND2-OG1 3.13Å; N216-T218 PolarHBondContact O-N 3.03Å; N216-T218 PolarHBondContact OD1-OG1 2.98Å; N216-T218 VanDerWaalsContact OD1-OG1 3.12Å; N216-G219 PolarHBondContact O-N 2.97Å; N216-G219 PolarHBondContact OD1-N 3.3Å; N216-G219 VanDerWaalsContact OD1-N 3.1Å; N216-L220 PolarHBondContact OD1-N 2.78Å; N216-H221 PolarHBondContact N-O 3.39Å; N216-H221 PolarHBondContact OD1-N 3.29Å; N216-H221 PolarHBondContact OD1-O 2.86Å; N216-I381 WeakPolarHBondContact O-CG2 3.38Å
217A95.8Very high92.9Very high0 Ų020.6 Ų20.60%010%0.102CC..THydrogen-bonded Turntrans-65.4-25.2-176.400000113.9P170 I173 G219 W385 N392P170-A217 HydrophobicContact CB-CB 4.2Å; P170-A217 WeakPolarHBondContact O-CB 3.49Å; P170-A217 PolarHBondContact O-N 3.12Å; I173-A217 HydrophobicContact CB-CB 4.16Å; I173-A217 HydrophobicContact CG2-CB 4.4Å; I173-A217 PolarHBondContact O-N 3.21Å; A217-G219 VanDerWaalsContact C-N 3.34Å; A217-W385 HydrophobicContact CB-CD2 3.83Å; A217-W385 HydrophobicContact CB-CE3 4.11Å; A217-W385 HydrophobicContact CB-CG 4.1Å; A217-W385 HydrophobicContact CB-CZ2 4.42Å; A217-N392 PolarHBondContact O-ND2 3.47Å
218T94Very high93.7Very high25 Ų2517 Ų1715%0.1539%0.085CC..THydrogen-bonded Turntrans-78.2-19.2172.563.10000112.9P170 E171 N216 L220 T382P170-T218 HydrophobicContact CB-CG2 3.6Å; E171-T218 WeakPolarHBondContact OE2-CB 3.12Å; E171-T218 WeakPolarHBondContact OE2-CG2 3.29Å; E171-T218 PolarHBondContact OE2-OG1 2.89Å; N216-T218 VanDerWaalsContact CG-OG1 3.31Å; N216-T218 PolarHBondContact ND2-OG1 3.29Å; N216-T218 VanDerWaalsContact ND2-OG1 3.13Å; N216-T218 PolarHBondContact O-N 3.03Å; N216-T218 PolarHBondContact OD1-OG1 2.98Å; N216-T218 VanDerWaalsContact OD1-OG1 3.12Å; T218-L220 PolarHBondContact O-N 2.97Å; T218-L220 PolarHBondContact OG1-N 3.43Å; T218-T382 PolarHBondContact O-OG1 3.34Å
219G93.3Very high94Very high1 Ų115.4 Ų15.41%0.018%0.081CC..SBendtrans68.78.5-173.200000114.1N216 A217 S378N216-G219 PolarHBondContact O-N 2.97Å; N216-G219 PolarHBondContact OD1-N 3.3Å; N216-G219 VanDerWaalsContact OD1-N 3.1Å; A217-G219 VanDerWaalsContact C-N 3.34Å; G219-S378 VanDerWaalsContact O-CB 3.29Å; G219-S378 WeakPolarHBondContact O-CB 3.35Å; G219-S378 PolarHBondContact O-OG 3.48Å
220L94.1Very high93.7Very high110 Ų11023 Ų2358%0.57611%0.114SC*.SBendtrans-82.4-25.2179.1-64177.9000112N216 T218N216-L220 PolarHBondContact OD1-N 2.78Å; T218-L220 PolarHBondContact O-N 2.97Å; T218-L220 PolarHBondContact OG1-N 3.43Å
221H97Very high93.5Very high24 Ų2424.9 Ų24.911%0.11113%0.13CC..  trans-114.9109.2174.2-170.6-143.6000110.4Y174 A215 N216 H277Y174-H221 AromaticContact CE1-ND1 3.47Å; Y174-H221 WeakPolarHBondContact CE1-ND1 3.1Å; Y174-H221 AromaticContact CZ-ND1 3.56Å; Y174-H221 PolarHBondContact OH-ND1 3.38Å; A215-H221 VanDerWaalsContact CA-O 3.27Å; A215-H221 WeakPolarHBondContact CA-O 3.42Å; N216-H221 PolarHBondContact N-O 3.39Å; N216-H221 PolarHBondContact OD1-N 3.29Å; N216-H221 PolarHBondContact OD1-O 2.86Å; H221-H277 AromaticContact CD2-CG 3.86Å; H221-H277 AromaticContact CD2-ND1 3.79Å; H221-H277 VanDerWaalsContact CE1-CB 3.49Å; H221-H277 WeakPolarHBondContact CE1-CB 3.18Å; H221-H277 AromaticContact CE1-CG 3.8Å; H221-H277 AromaticContact CG-CD2 3.7Å; H221-H277 AromaticContact CG-CE1 3.91Å; H221-H277 AromaticContact CG-CG 3.54Å; H221-H277 AromaticContact CG-ND1 3.72Å; H221-H277 AromaticContact CG-NE2 3.91Å; H221-H277 AromaticContact ND1-CD2 3.59Å; H221-H277 AromaticContact ND1-CG 3.5Å
222K96.7Very high92.9Very high53 Ų5333.2 Ų33.223%0.2317%0.166CC..BIsolated β-bridgetrans-108127.9171.7-66.2-174.5-64.1-176.90108.3A215 W373 S374 V376 I381A215-K222 HydrophobicContact CB-CG 4.08Å; K222-W373 HydrophobicContact CB-CZ2 3.64Å; K222-W373 HydrophobicContact CD-CD2 4.31Å; K222-W373 HydrophobicContact CD-CE3 4.47Å; K222-W373 HydrophobicContact CD-CH2 3.89Å; K222-W373 HydrophobicContact CD-CZ2 3.69Å; K222-W373 HydrophobicContact CD-CZ3 4.27Å; K222-W373 HydrophobicContact CG-CH2 4.09Å; K222-W373 HydrophobicContact CG-CZ2 3.65Å; K222-W373 PolarHBondContact NZ-O 3.03Å; K222-S374 PolarHBondContact NZ-O 3.28Å; K222-V376 PolarHBondContact NZ-O 2.91Å; K222-I381 HydrophobicContact CD-CD1 3.79Å; K222-I381 HydrophobicContact CG-CD1 3.87Å
223L96.3Very high92.3Very high1 Ų137.5 Ų37.51%0.00519%0.185CC..PPolyproline II helixtrans-79.1155.7172.5-76.379.1000110.1Y174 C214 W265 F270 W373Y174-L223 HydrophobicContact CD1-CD1 3.99Å; Y174-L223 HydrophobicContact CE1-CD1 3.79Å; C214-L223 HydrophobicContact CB-CB 4.31Å; C214-L223 HydrophobicContact CB-CD1 4.44Å; C214-L223 PolarHBondContact O-N 3.46Å; L223-W265 HydrophobicContact CD2-CZ2 4.03Å; L223-F270 HydrophobicContact CD2-CB 4.22Å; L223-F270 HydrophobicContact CD2-CD2 3.6Å; L223-F270 HydrophobicContact CD2-CE2 4.44Å; L223-F270 HydrophobicContact CD2-CG 4.33Å; L223-W373 PolarHBondContact O-NE1 3.4Å
224N93.3Very high91.7Very high86 Ų8638.4 Ų38.446%0.4619%0.191SC..PPolyproline II helixtrans-57.3142.2168.7-70.1-11.3000110
225L94.9Very high91Very high1 Ų150 Ų501%0.00523%0.234CC..PPolyproline II helixtrans-58.2141.9-179.4-67.4173.3000111C213 V227 V247 T248 V369 W373C213-L225 HydrophobicContact CB-CD2 4.31Å; C213-L225 WeakPolarHBondContact SG-CD2 3.43Å; L225-V227 HydrophobicContact CB-CG2 4.16Å; L225-V247 HydrophobicContact CB-CB 4.3Å; L225-V247 HydrophobicContact CB-CG1 3.93Å; L225-V247 HydrophobicContact CD1-CG1 4.44Å; L225-V247 WeakPolarHBondContact O-CB 3.48Å; L225-T248 PolarHBondContact O-N 3.21Å; L225-T248 PolarHBondContact O-OG1 2.97Å; L225-T248 VanDerWaalsContact O-OG1 3.12Å; L225-V369 HydrophobicContact CD1-CB 4.35Å; L225-V369 HydrophobicContact CD1-CG1 3.87Å; L225-V369 HydrophobicContact CD1-CG2 3.89Å; L225-W373 HydrophobicContact CD1-CB 3.84Å; L225-W373 HydrophobicContact CD1-CG 4.3Å; L225-W373 HydrophobicContact CD2-CB 4.09Å; L225-W373 HydrophobicContact CD2-CD2 4.11Å; L225-W373 HydrophobicContact CD2-CG 3.74Å; L225-W373 HydrophobicContact CG-CB 3.98Å; L225-W373 HydrophobicContact CG-CG 3.88Å
226C94.3Very high90.3Very high0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-91.9117.1160.9177.50000108.1I211 M212 T248 W265I211-C226 CarbonylContact C-O 3.5Å; I211-C226 WeakPolarHBondContact CA-O 3.13Å; M212-C226 HydrophobicContact CB-CB 4.18Å; M212-C226 HydrophobicContact CE-CB 3.86Å; M212-C226 PolarHBondContact N-O 3.31Å; M212-C226 PolarHBondContact O-N 2.88Å; C226-T248 VanDerWaalsContact CA-OG1 3.31Å; C226-T248 WeakPolarHBondContact CA-OG1 3.35Å; C226-W265 HydrophobicContact CB-CG 4.4Å
227V94.1Very high89.7Confident0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-113.3127.4-179.11780000108.8I209 I210 I211 L225 V247 T248 Y249 Y250 I366I209-V227 HydrophobicContact CB-CG1 4.3Å; I209-V227 HydrophobicContact CD1-CG1 3.96Å; I210-V227 CarbonylContact O-C 3.59Å; I210-V227 WeakPolarHBondContact O-CA 3.44Å; I211-V227 HydrophobicContact CG2-CG2 4.18Å; L225-V227 HydrophobicContact CB-CG2 4.16Å; V227-V247 HydrophobicContact CB-CG2 4.04Å; V227-V247 HydrophobicContact CG2-CB 3.83Å; V227-V247 HydrophobicContact CG2-CG1 4Å; V227-V247 HydrophobicContact CG2-CG2 3.76Å; V227-T248 PolarHBondContact N-O 3.06Å; V227-Y249 HydrophobicContact CB-CD2 4.35Å; V227-Y249 HydrophobicContact CG1-CD2 4.07Å; V227-Y249 HydrophobicContact CG1-CE2 4.3Å; V227-Y249 CarbonylContact O-C 3.59Å; V227-Y249 WeakPolarHBondContact O-CA 3.5Å; V227-Y250 PolarHBondContact O-N 3.28Å; V227-I366 HydrophobicContact CG1-CD1 4.5Å; V227-I366 HydrophobicContact CG1-CG1 4.22Å
228V89.1Confident89Confident2 Ų259.2 Ų59.21%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-118.9121.2176.3-164.50000110.7I210 Y250 Q252 I257 V261I210-V228 HydrophobicContact CB-CB 4.25Å; I210-V228 HydrophobicContact CD1-CB 4.34Å; I210-V228 PolarHBondContact N-O 3.32Å; I210-V228 PolarHBondContact O-N 3.04Å; V228-Y250 WeakPolarHBondContact CA-O 3.2Å; V228-Q252 HydrophobicContact CG1-CB 4.14Å; V228-Q252 VanDerWaalsContact CG1-CD 3.49Å; V228-Q252 HydrophobicContact CG1-CG 3.49Å; V228-Q252 VanDerWaalsContact CG1-CG 3.49Å; V228-I257 HydrophobicContact CG2-CD1 4.29Å; V228-I257 HydrophobicContact CG2-CG1 3.75Å; V228-V261 HydrophobicContact CG2-CG1 4.31Å
229G89.1Confident88.1Confident5 Ų561.1 Ų61.15%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-112.7173.8175.100000112.7Y250 S251 Q252G229-Y250 PolarHBondContact N-O 2.91Å; G229-S251 VanDerWaalsContact O-CA 3.23Å; G229-S251 WeakPolarHBondContact O-CA 3.14Å; G229-Q252 PolarHBondContact O-N 2.93Å
230K84.4Confident87.5Confident164 Ų16462.7 Ų62.771%0.71331%0.314SS*.SBendtrans-74.6-34.1179.6-68.4-171175-170.70114.1Q252K230-Q252 WeakPolarHBondContact CA-O 3.41Å
231A83.8Confident86.9Confident45 Ų4561.7 Ų61.737%0.37231%0.31SS..SBendtrans-104.4137.7-172.600000111K233 P234 Y249 S251A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 2.88Å; A231-P234 HydrophobicContact CB-CG 4.2Å; A231-Y249 PolarHBondContact O-OH 3.41Å; A231-S251 VanDerWaalsContact C-CB 3.5Å; A231-S251 WeakPolarHBondContact O-CB 3.33Å
232K80.2Confident86.2Confident175 Ų17563.7 Ų63.776%0.76132%0.321SS*.SBendtrans-59.4-41.9178.3-168.1175.5-177.7178.70113.7S251K232-S251 VanDerWaalsContact CA-OG 3.26Å; K232-S251 WeakPolarHBondContact CA-OG 3.29Å; K232-S251 WeakPolarHBondContact CB-OG 3.43Å
233K80.6Confident85.5Confident93 Ų9365.2 Ų65.240%0.40434%0.338SS..SBendtrans-141.791173.7-165.7166.1178.6167.20107.4A231 F237 E473A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 2.88Å; K233-F237 HydrophobicContact CG-CB 3.97Å; K233-E473 IonicContact NZ-OE1 2.88Å; K233-E473 PolarHBondContact NZ-OE1 2.86Å
234P83.3Confident85Confident19 Ų1970.8 Ų70.812%0.12337%0.368CS..  trans-51.2150.5173.4-24.332.4000110.8A231 A236 F237 Y249 V362A231-P234 HydrophobicContact CB-CG 4.2Å; P234-A236 PolarHBondContact O-N 3.5Å; P234-F237 HydrophobicContact CB-CD1 4.43Å; P234-F237 HydrophobicContact CG-CD1 4.46Å; P234-F237 HydrophobicContact CG-CD2 4.34Å; P234-F237 HydrophobicContact CG-CE1 4.25Å; P234-F237 HydrophobicContact CG-CE2 4.12Å; P234-F237 HydrophobicContact CG-CG 4.48Å; P234-F237 HydrophobicContact CG-CZ 4.05Å; P234-F237 WeakPolarHBondContact O-CB 3.37Å; P234-F237 PolarHBondContact O-N 3.12Å; P234-Y249 WeakPolarHBondContact CG-OH 3.25Å; P234-V362 HydrophobicContact CB-CG1 3.63Å; P234-V362 HydrophobicContact CG-CG1 3.8Å
235R82.7Confident84.9Confident245 Ų24567.3 Ų67.393%0.92535%0.349SS*.G310 helixtrans-54.4-31.3176.9-68.9-176.9-176.9173.40.9112.6F237 K238R235-F237 PolarHBondContact O-N 3.44Å; R235-K238 VanDerWaalsContact O-CB 3.3Å; R235-K238 WeakPolarHBondContact O-CB 3.48Å; R235-K238 PolarHBondContact O-N 2.95Å; R235-K238 VanDerWaalsContact O-N 3.17Å
236A83Confident84.7Confident33 Ų3368.9 Ų68.927%0.27336%0.36SS..G310 helixtrans-61.1-21.217600000113.9P234 K238 T361 V362 L363P234-A236 PolarHBondContact O-N 3.5Å; A236-K238 PolarHBondContact O-N 3.1Å; A236-T361 HydrophobicContact CB-CG2 4.26Å; A236-V362 HydrophobicContact CB-CG1 4.08Å; A236-L363 HydrophobicContact CB-CB 4.14Å
237F84Confident84.7Confident0 Ų069.2 Ų69.20%036%0.361CS..G310 helixtrans-88.611.8179.1-64.75000112.4K233 P234 R235 G239 T240 L242 L245 Y249 V362 L363 I366K233-F237 HydrophobicContact CG-CB 3.97Å; P234-F237 HydrophobicContact CB-CD1 4.43Å; P234-F237 HydrophobicContact CG-CD1 4.46Å; P234-F237 HydrophobicContact CG-CD2 4.34Å; P234-F237 HydrophobicContact CG-CE1 4.25Å; P234-F237 HydrophobicContact CG-CE2 4.12Å; P234-F237 HydrophobicContact CG-CG 4.48Å; P234-F237 HydrophobicContact CG-CZ 4.05Å; P234-F237 WeakPolarHBondContact O-CB 3.37Å; P234-F237 PolarHBondContact O-N 3.12Å; R235-F237 PolarHBondContact O-N 3.44Å; F237-G239 PolarHBondContact O-N 3.4Å; F237-G239 VanDerWaalsContact O-N 3.14Å; F237-T240 PolarHBondContact O-N 3.49Å; F237-L242 HydrophobicContact CD2-CD2 3.59Å; F237-L242 HydrophobicContact CD2-CG 4.44Å; F237-L242 HydrophobicContact CE2-CD2 3.6Å; F237-L245 HydrophobicContact CE2-CD1 4.13Å; F237-L245 HydrophobicContact CZ-CD1 4.27Å; F237-Y249 AromaticContact CE2-CD1 3.78Å; F237-Y249 HydrophobicContact CE2-CD1 3.78Å; F237-Y249 HydrophobicContact CE2-CD2 4.11Å; F237-Y249 AromaticContact CE2-CE1 3.75Å; F237-Y249 HydrophobicContact CE2-CE1 3.75Å; F237-Y249 HydrophobicContact CE2-CE2 4.08Å; F237-Y249 AromaticContact CE2-CG 3.95Å; F237-Y249 HydrophobicContact CE2-CG 3.95Å; F237-Y249 AromaticContact CE2-CZ 3.9Å; F237-Y249 HydrophobicContact CZ-CD1 4.48Å; F237-Y249 HydrophobicContact CZ-CD2 4.01Å; F237-Y249 HydrophobicContact CZ-CE1 4.36Å; F237-Y249 AromaticContact CZ-CE2 3.87Å; F237-Y249 HydrophobicContact CZ-CE2 3.87Å; F237-Y249 HydrophobicContact CZ-CG 4.3Å; F237-V362 HydrophobicContact CE1-CG1 3.94Å; F237-L363 HydrophobicContact CD1-CB 4.2Å; F237-L363 HydrophobicContact CD1-CD1 3.97Å; F237-L363 HydrophobicContact CE1-CB 4.13Å; F237-L363 HydrophobicContact CE1-CD1 3.87Å; F237-I366 HydrophobicContact CE1-CD1 3.87Å; F237-I366 HydrophobicContact CZ-CD1 3.46Å; F237-I366 VanDerWaalsContact CZ-CD1 3.46Å
238K81.4Confident84.7Confident162 Ų16269.6 Ų69.670%0.70436%0.364SS*.THydrogen-bonded Turntrans-63.6117.4177.5-175179.6-179.2-179.10109.3R235 A236 T240R235-K238 VanDerWaalsContact O-CB 3.3Å; R235-K238 WeakPolarHBondContact O-CB 3.48Å; R235-K238 PolarHBondContact O-N 2.95Å; R235-K238 VanDerWaalsContact O-N 3.17Å; A236-K238 PolarHBondContact O-N 3.1Å; K238-T240 VanDerWaalsContact C-N 3.33Å
239G75.6Confident84.8Confident65 Ų6571 Ų7167%0.6737%0.369SS*.THydrogen-bonded Turntrans85.21.1-17700000114.5F237F237-G239 PolarHBondContact O-N 3.4Å; F237-G239 VanDerWaalsContact O-N 3.14Å
240T79.5Confident84.9Confident33 Ų3371.8 Ų71.820%0.20237%0.371CS..  trans-100.3129.7175-47.20000109.8F237 K238 L245F237-T240 PolarHBondContact O-N 3.49Å; K238-T240 VanDerWaalsContact C-N 3.33Å; T240-L245 HydrophobicContact CG2-CD2 3.87Å
241D81.7Confident85.1Confident90 Ų9066.1 Ų66.148%0.48135%0.352SS..  trans-81.3123165.9-179.2-0.1000109.2S243 N244D241-S243 PolarHBondContact O-N 3.1Å; D241-S243 WeakPolarHBondContact OD1-CB 3.5Å; D241-S243 PolarHBondContact OD1-N 3.35Å; D241-S243 PolarHBondContact OD1-OG 2.78Å; D241-S243 VanDerWaalsContact OD1-OG 3.12Å; D241-S243 PolarHBondContact OD2-OG 3.09Å; D241-N244 PolarHBondContact O-N 3.5Å; D241-N244 PolarHBondContact OD2-ND2 3.47Å
242L81.8Confident85.1Confident66 Ų6664.6 Ų64.635%0.34634%0.337SS..G310 helixtrans-57.5-29.5179.1-75.4155000112.1F237 N244 L245 Y249F237-L242 HydrophobicContact CD2-CD2 3.59Å; F237-L242 HydrophobicContact CD2-CG 4.44Å; F237-L242 HydrophobicContact CE2-CD2 3.6Å; L242-N244 PolarHBondContact O-N 2.9Å; L242-L245 HydrophobicContact CD2-CD1 3.88Å; L242-L245 PolarHBondContact O-N 2.94Å; L242-Y249 HydrophobicContact CD2-CD1 3.86Å; L242-Y249 HydrophobicContact CD2-CG 4.27Å
243S82.5Confident84.8Confident85 Ų8565.2 Ų65.259%0.59434%0.34SS*.G310 helixtrans-67.6-22.817976.90000113.3D241D241-S243 PolarHBondContact O-N 3.1Å; D241-S243 WeakPolarHBondContact OD1-CB 3.5Å; D241-S243 PolarHBondContact OD1-N 3.35Å; D241-S243 PolarHBondContact OD1-OG 2.78Å; D241-S243 VanDerWaalsContact OD1-OG 3.12Å; D241-S243 PolarHBondContact OD2-OG 3.09Å
244N85.9Confident84.2Confident118 Ų11862.2 Ų62.263%0.63134%0.335SS*.G310 helixtrans-95.21.3-179-67.8-48.8000113.1D241 L242D241-N244 PolarHBondContact O-N 3.5Å; D241-N244 PolarHBondContact OD2-ND2 3.47Å; L242-N244 PolarHBondContact O-N 2.9Å
245L90.4Very high83.2Confident13 Ų1363.9 Ų63.97%0.06835%0.35CS..SBendtrans-67147.6174.6-69.8179.1000110.4F237 T240 L242 V247 L363 Y367F237-L245 HydrophobicContact CE2-CD1 4.13Å; F237-L245 HydrophobicContact CZ-CD1 4.27Å; T240-L245 HydrophobicContact CG2-CD2 3.87Å; L242-L245 HydrophobicContact CD2-CD1 3.88Å; L242-L245 PolarHBondContact O-N 2.94Å; L245-V247 HydrophobicContact CB-CG2 4.44Å; L245-V247 PolarHBondContact O-N 3.01Å; L245-V247 VanDerWaalsContact O-N 3.09Å; L245-L363 HydrophobicContact CD2-CD1 3.58Å; L245-Y367 HydrophobicContact CD2-CE2 4.41Å
246P92.3Very high82.7Confident34 Ų3455.9 Ų55.922%0.22132%0.32CS..SBendtrans-742.8177.134.7-38.2000112.8I366 Y367 S370P246-I366 HydrophobicContact CG-CG2 4.4Å; P246-Y367 HydrophobicContact CG-CD1 3.87Å; P246-Y367 HydrophobicContact CG-CE1 3.88Å; P246-Y367 HydrophobicContact CG-CG 4.43Å; P246-S370 WeakPolarHBondContact CB-OG 3.25Å
247V93.9Very high82.4Confident6 Ų655 Ų554%0.03631%0.311CS..SBendtrans-133.1159.2-179.9-53.40000109.6L225 V227 L245 I366L225-V247 HydrophobicContact CB-CB 4.3Å; L225-V247 HydrophobicContact CB-CG1 3.93Å; L225-V247 HydrophobicContact CD1-CG1 4.44Å; L225-V247 WeakPolarHBondContact O-CB 3.48Å; V227-V247 HydrophobicContact CB-CG2 4.04Å; V227-V247 HydrophobicContact CG2-CB 3.83Å; V227-V247 HydrophobicContact CG2-CG1 4Å; V227-V247 HydrophobicContact CG2-CG2 3.76Å; L245-V247 HydrophobicContact CB-CG2 4.44Å; L245-V247 PolarHBondContact O-N 3.01Å; L245-V247 VanDerWaalsContact O-N 3.09Å; V247-I366 HydrophobicContact CB-CG2 4.4Å; V247-I366 HydrophobicContact CG1-CG2 4.06Å; V247-I366 HydrophobicContact CG2-CG1 4.49Å; V247-I366 HydrophobicContact CG2-CG2 3.45Å; V247-I366 VanDerWaalsContact CG2-CG2 3.45Å
248T92.8Very high82.2Confident9 Ų959.2 Ų59.26%0.05533%0.331CS..EExtended strand (participates in β ladder)trans-84.1117.116656.40000108.7L225 C226 V227 Y269L225-T248 PolarHBondContact O-N 3.21Å; L225-T248 PolarHBondContact O-OG1 2.97Å; L225-T248 VanDerWaalsContact O-OG1 3.12Å; C226-T248 VanDerWaalsContact CA-OG1 3.31Å; C226-T248 WeakPolarHBondContact CA-OG1 3.35Å; V227-T248 PolarHBondContact N-O 3.06Å; T248-Y269 HydrophobicContact CG2-CD1 3.49Å; T248-Y269 VanDerWaalsContact CG2-CD1 3.49Å; T248-Y269 HydrophobicContact CG2-CD2 3.85Å; T248-Y269 HydrophobicContact CG2-CE1 3.42Å; T248-Y269 VanDerWaalsContact CG2-CE1 3.42Å; T248-Y269 HydrophobicContact CG2-CE2 3.78Å; T248-Y269 HydrophobicContact CG2-CG 3.69Å
249Y93Very high82.1Confident30 Ų3055.6 Ų55.612%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-103.3128.4-176.8-174.1-93.6000111.7V227 A231 P234 F237 L242 I366V227-Y249 HydrophobicContact CB-CD2 4.35Å; V227-Y249 HydrophobicContact CG1-CD2 4.07Å; V227-Y249 HydrophobicContact CG1-CE2 4.3Å; V227-Y249 CarbonylContact O-C 3.59Å; V227-Y249 WeakPolarHBondContact O-CA 3.5Å; A231-Y249 PolarHBondContact O-OH 3.41Å; P234-Y249 WeakPolarHBondContact CG-OH 3.25Å; F237-Y249 AromaticContact CE2-CD1 3.78Å; F237-Y249 HydrophobicContact CE2-CD1 3.78Å; F237-Y249 HydrophobicContact CE2-CD2 4.11Å; F237-Y249 AromaticContact CE2-CE1 3.75Å; F237-Y249 HydrophobicContact CE2-CE1 3.75Å; F237-Y249 HydrophobicContact CE2-CE2 4.08Å; F237-Y249 AromaticContact CE2-CG 3.95Å; F237-Y249 HydrophobicContact CE2-CG 3.95Å; F237-Y249 AromaticContact CE2-CZ 3.9Å; F237-Y249 HydrophobicContact CZ-CD1 4.48Å; F237-Y249 HydrophobicContact CZ-CD2 4.01Å; F237-Y249 HydrophobicContact CZ-CE1 4.36Å; F237-Y249 AromaticContact CZ-CE2 3.87Å; F237-Y249 HydrophobicContact CZ-CE2 3.87Å; F237-Y249 HydrophobicContact CZ-CG 4.3Å; L242-Y249 HydrophobicContact CD2-CD1 3.86Å; L242-Y249 HydrophobicContact CD2-CG 4.27Å; Y249-I366 HydrophobicContact CD2-CD1 3.81Å; Y249-I366 HydrophobicContact CE2-CD1 4.02Å
250Y90.6Very high82.4Confident22 Ų2256.1 Ų56.19%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-123.1162.4171.6-60.8-90.7000110.6V227 V228 G229 V261 Q264 W265 Y269V227-Y250 PolarHBondContact O-N 3.28Å; V228-Y250 WeakPolarHBondContact CA-O 3.2Å; G229-Y250 PolarHBondContact N-O 2.91Å; Y250-V261 HydrophobicContact CD1-CG1 3.78Å; Y250-V261 HydrophobicContact CD2-CG1 3.81Å; Y250-V261 HydrophobicContact CE1-CG1 4.3Å; Y250-V261 HydrophobicContact CE2-CG1 4.33Å; Y250-V261 HydrophobicContact CG-CG1 3.5Å; Y250-V261 VanDerWaalsContact CG-CG1 3.5Å; Y250-Q264 HydrophobicContact CE1-CB 4.44Å; Y250-Q264 HydrophobicContact CE1-CG 4.1Å; Y250-W265 HydrophobicContact CE2-CB 4.27Å; Y250-W265 WeakPolarHBondContact OH-CA 3.34Å; Y250-Y269 VanDerWaalsContact OH-CE2 3.28Å; Y250-Y269 WeakPolarHBondContact OH-CE2 3.47Å
251S89.1Confident82.7Confident45 Ų4555.1 Ų55.132%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-127.1131.1172.966.20000111.8G229 A231 K232G229-S251 VanDerWaalsContact O-CA 3.23Å; G229-S251 WeakPolarHBondContact O-CA 3.14Å; A231-S251 VanDerWaalsContact C-CB 3.5Å; A231-S251 WeakPolarHBondContact O-CB 3.33Å; K232-S251 VanDerWaalsContact CA-OG 3.26Å; K232-S251 WeakPolarHBondContact CA-OG 3.29Å; K232-S251 WeakPolarHBondContact CB-OG 3.43Å
252Q82.1Confident82.9Confident14 Ų1451.4 Ų51.47%0.06528%0.283CS..  trans-149.8167.2173.378.6-166.2-4.100109.4I210 V228 G229 K230 G254 W256I210-Q252 VanDerWaalsContact CD1-NE2 3.32Å; V228-Q252 HydrophobicContact CG1-CB 4.14Å; V228-Q252 VanDerWaalsContact CG1-CD 3.49Å; V228-Q252 HydrophobicContact CG1-CG 3.49Å; V228-Q252 VanDerWaalsContact CG1-CG 3.49Å; G229-Q252 PolarHBondContact O-N 2.93Å; K230-Q252 WeakPolarHBondContact CA-O 3.41Å; Q252-G254 PolarHBondContact NE2-O 3.49Å; Q252-W256 PolarHBondContact NE2-O 3.08Å; Q252-W256 PolarHBondContact OE1-O 2.66Å
253K74.3Confident83.2Confident187 Ų18753.7 Ų53.781%0.81329%0.287SS*.SBendtrans-87.2-28.8175.6-66.3-177179.9179.80112.5
254G68.6Low83.6Confident30 Ų3053.1 Ų53.131%0.30928%0.275SS..SBendtrans-62.9157.6-178.700000115.3Q252 W256Q252-G254 PolarHBondContact NE2-O 3.49Å; G254-W256 VanDerWaalsContact C-N 3.35Å
255A63.1Low83.9Confident54 Ų5447.7 Ų47.745%0.44625%0.246SC..SBendtrans-87.1-1.2179.700000114.4R208 I210R208-A255 PolarHBondContact NH2-O 2.96Å; I210-A255 VanDerWaalsContact CD1-O 3.27Å; I210-A255 WeakPolarHBondContact CD1-O 3.42Å; I210-A255 WeakPolarHBondContact CG1-O 3.34Å
256W70.3Confident84Confident78 Ų7847.1 Ų47.130%0.29524%0.243SC..SBendtrans-139.6149.3-179.5-59.5104000109.5Q178 Q252 G254 E258 C441Q178-W256 HydrophobicContact CG-CE3 3.95Å; Q178-W256 HydrophobicContact CG-CZ3 4.12Å; Q252-W256 PolarHBondContact NE2-O 3.08Å; Q252-W256 PolarHBondContact OE1-O 2.66Å; G254-W256 VanDerWaalsContact C-N 3.35Å; W256-E258 PolarHBondContact O-N 2.93Å; W256-E258 VanDerWaalsContact O-N 3.12Å; W256-C441 HydrophobicContact CH2-CB 4.43Å
257I77.3Confident84Confident14 Ų1449.9 Ų49.97%0.07225%0.253CS..  trans-57.4118176.4-66.2173.7000109.2Q178 I210 M212 V228 V261 F262Q178-I257 HydrophobicContact CB-CD1 4.35Å; Q178-I257 VanDerWaalsContact OE1-CG1 3.23Å; I210-I257 HydrophobicContact CG2-CD1 4.4Å; I210-I257 HydrophobicContact CG2-CG1 4.02Å; M212-I257 HydrophobicContact CB-CD1 3.48Å; M212-I257 VanDerWaalsContact CB-CD1 3.48Å; M212-I257 HydrophobicContact CE-CD1 4.26Å; M212-I257 HydrophobicContact CG-CD1 4.17Å; M212-I257 HydrophobicContact SD-CD1 3.73Å; V228-I257 HydrophobicContact CG2-CD1 4.29Å; V228-I257 HydrophobicContact CG2-CG1 3.75Å; I257-V261 HydrophobicContact CG2-CB 4.07Å; I257-V261 HydrophobicContact CG2-CG1 3.96Å; I257-F262 HydrophobicContact CG2-CB 3.96Å
258E80.4Confident84Confident88 Ų8855.5 Ų55.541%0.41128%0.277SS..  trans-70.2152.3174.7-69.8170.3-15600110.5W256 S260 V261 F262W256-E258 PolarHBondContact O-N 2.93Å; W256-E258 VanDerWaalsContact O-N 3.12Å; E258-S260 VanDerWaalsContact C-N 3.25Å; E258-S260 PolarHBondContact O-N 3.16Å; E258-V261 WeakPolarHBondContact O-CB 3.19Å; E258-V261 PolarHBondContact O-N 3.07Å; E258-V261 VanDerWaalsContact O-N 3.08Å; E258-F262 PolarHBondContact O-N 3.19Å
259Q79.3Confident84Confident86 Ų8659.4 Ų59.440%0.40229%0.291SS..Hα-helixtrans-58.3-36.3-176.3-168.5-1630.200113.2F262 R263 E300Q259-F262 PolarHBondContact O-N 2.99Å; Q259-R263 WeakPolarHBondContact O-CB 3.23Å; Q259-R263 PolarHBondContact O-N 3.4Å; Q259-E300 PolarHBondContact NE2-OE1 3.25Å; Q259-E300 PolarHBondContact NE2-OE2 3.3Å; Q259-E300 PolarHBondContact OE1-OE1 3.4Å
260S82.4Confident84.1Confident77 Ų7758 Ų5854%0.53829%0.285SS..Hα-helixtrans-62.6-42.817758.30000112.1E258 Q264E258-S260 VanDerWaalsContact C-N 3.25Å; E258-S260 PolarHBondContact O-N 3.16Å; S260-Q264 WeakPolarHBondContact O-CB 3.45Å; S260-Q264 PolarHBondContact O-N 3.48Å; S260-Q264 VanDerWaalsContact O-N 3.08Å
261V84.9Confident84.4Confident12 Ų1257.6 Ų57.67%0.07329%0.285CS..Hα-helixtrans-65.9-43.2175.1175.60000110.2V228 Y250 I257 E258 Q264 W265V228-V261 HydrophobicContact CG2-CG1 4.31Å; Y250-V261 HydrophobicContact CD1-CG1 3.78Å; Y250-V261 HydrophobicContact CD2-CG1 3.81Å; Y250-V261 HydrophobicContact CE1-CG1 4.3Å; Y250-V261 HydrophobicContact CE2-CG1 4.33Å; Y250-V261 HydrophobicContact CG-CG1 3.5Å; Y250-V261 VanDerWaalsContact CG-CG1 3.5Å; I257-V261 HydrophobicContact CG2-CB 4.07Å; I257-V261 HydrophobicContact CG2-CG1 3.96Å; E258-V261 WeakPolarHBondContact O-CB 3.19Å; E258-V261 PolarHBondContact O-N 3.07Å; E258-V261 VanDerWaalsContact O-N 3.08Å; V261-Q264 PolarHBondContact O-N 2.92Å; V261-W265 WeakPolarHBondContact O-CB 3.45Å; V261-W265 PolarHBondContact O-N 3.08Å
262F87.1Confident84.7Confident12 Ų1258.2 Ų58.25%0.05329%0.288CS..Hα-helixtrans-62.2-48177.5-176.4-94.9000112.1M212 I257 E258 Q259 Q264 W265 F266 L289 L291 F293 L303M212-F262 HydrophobicContact CE-CD2 4.15Å; M212-F262 HydrophobicContact CE-CE2 4.12Å; M212-F262 HydrophobicContact SD-CD2 4.12Å; M212-F262 HydrophobicContact SD-CE2 4.08Å; I257-F262 HydrophobicContact CG2-CB 3.96Å; E258-F262 PolarHBondContact O-N 3.19Å; Q259-F262 PolarHBondContact O-N 2.99Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.49Å; F262-W265 HydrophobicContact CD2-CE3 4.04Å; F262-W265 HydrophobicContact CD2-CZ3 4.33Å; F262-W265 AromaticContact CE2-CE3 3.68Å; F262-W265 HydrophobicContact CE2-CE3 3.68Å; F262-W265 AromaticContact CE2-CZ3 3.52Å; F262-W265 HydrophobicContact CE2-CZ3 3.52Å; F262-W265 HydrophobicContact CZ-CE3 4.12Å; F262-W265 AromaticContact CZ-CZ3 3.8Å; F262-W265 HydrophobicContact CZ-CZ3 3.8Å; F262-W265 PolarHBondContact O-N 3.28Å; F262-W265 VanDerWaalsContact O-N 3.14Å; F262-F266 HydrophobicContact CE1-CB 4.38Å; F262-F266 WeakPolarHBondContact O-CB 3.39Å; F262-F266 PolarHBondContact O-N 3.32Å; F262-L289 HydrophobicContact CZ-CD2 3.89Å; F262-L291 HydrophobicContact CE1-CD1 3.6Å; F262-L291 HydrophobicContact CE2-CD1 3.89Å; F262-L291 HydrophobicContact CE2-CD2 3.95Å; F262-L291 HydrophobicContact CZ-CD1 3.24Å; F262-L291 HydrophobicContact CZ-CD2 3.94Å; F262-L291 HydrophobicContact CZ-CG 4.17Å; F262-F293 HydrophobicContact CD2-CE2 4.36Å; F262-L303 HydrophobicContact CD1-CD2 4.05Å; F262-L303 HydrophobicContact CE1-CD2 3.73Å
263R87.5Confident85.4Confident114 Ų11459.9 Ų59.943%0.4330%0.296SS..Hα-helixtrans-57.7-47.1177.2-179.1-176.4-72.8-117.94.5111.1Q259 W265 F266 E267 L303Q259-R263 WeakPolarHBondContact O-CB 3.23Å; Q259-R263 PolarHBondContact O-N 3.4Å; R263-W265 VanDerWaalsContact C-N 3.33Å; R263-W265 PolarHBondContact O-N 3.05Å; R263-F266 WeakPolarHBondContact O-CB 3.49Å; R263-F266 PolarHBondContact O-N 3.34Å; R263-E267 WeakPolarHBondContact CG-OE1 3.32Å; R263-E267 WeakPolarHBondContact O-CG 3.1Å; R263-E267 PolarHBondContact O-N 3.41Å; R263-L303 HydrophobicContact CG-CD1 4.29Å
264Q90.7Very high86.5Confident73 Ų7351 Ų5134%0.34126%0.257SS..Hα-helixtrans-60.9-42.1176.4-176.9177.3-4.500112.1Y250 S260 V261 F262 K268Y250-Q264 HydrophobicContact CE1-CB 4.44Å; Y250-Q264 HydrophobicContact CE1-CG 4.1Å; S260-Q264 WeakPolarHBondContact O-CB 3.45Å; S260-Q264 PolarHBondContact O-N 3.48Å; S260-Q264 VanDerWaalsContact O-N 3.08Å; V261-Q264 PolarHBondContact O-N 2.92Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.49Å; Q264-K268 HydrophobicContact CG-CD 3.75Å; Q264-K268 HydrophobicContact CG-CG 4.32Å; Q264-K268 VanDerWaalsContact O-CB 3.26Å; Q264-K268 WeakPolarHBondContact O-CB 3.35Å; Q264-K268 WeakPolarHBondContact O-CG 3.43Å; Q264-K268 PolarHBondContact O-N 3.42Å
265W92.7Very high87.8Confident3 Ų351.8 Ų51.81%0.01125%0.253CS..Hα-helixtrans-63.8-42.2175.7169.586000111.8M212 C214 L223 C226 Y250 V261 F262 R263 Y269 F270 L289M212-W265 HydrophobicContact CE-CD2 3.48Å; M212-W265 VanDerWaalsContact CE-CD2 3.48Å; M212-W265 HydrophobicContact CE-CE3 3.56Å; M212-W265 HydrophobicContact CE-CG 4.14Å; M212-W265 HydrophobicContact CE-CH2 3.79Å; M212-W265 HydrophobicContact CE-CZ2 3.72Å; M212-W265 HydrophobicContact CE-CZ3 3.72Å; C214-W265 HydrophobicContact CB-CH2 4.05Å; C214-W265 HydrophobicContact CB-CZ2 3.93Å; L223-W265 HydrophobicContact CD2-CZ2 4.03Å; C226-W265 HydrophobicContact CB-CG 4.4Å; Y250-W265 HydrophobicContact CE2-CB 4.27Å; Y250-W265 WeakPolarHBondContact OH-CA 3.34Å; V261-W265 WeakPolarHBondContact O-CB 3.45Å; V261-W265 PolarHBondContact O-N 3.08Å; F262-W265 HydrophobicContact CD2-CE3 4.04Å; F262-W265 HydrophobicContact CD2-CZ3 4.33Å; F262-W265 AromaticContact CE2-CE3 3.68Å; F262-W265 HydrophobicContact CE2-CE3 3.68Å; F262-W265 AromaticContact CE2-CZ3 3.52Å; F262-W265 HydrophobicContact CE2-CZ3 3.52Å; F262-W265 HydrophobicContact CZ-CE3 4.12Å; F262-W265 AromaticContact CZ-CZ3 3.8Å; F262-W265 HydrophobicContact CZ-CZ3 3.8Å; F262-W265 PolarHBondContact O-N 3.28Å; F262-W265 VanDerWaalsContact O-N 3.14Å; R263-W265 VanDerWaalsContact C-N 3.33Å; R263-W265 PolarHBondContact O-N 3.05Å; W265-Y269 WeakPolarHBondContact O-CA 3.34Å; W265-Y269 WeakPolarHBondContact O-CB 3.46Å; W265-Y269 PolarHBondContact O-N 3.38Å; W265-F270 HydrophobicContact CE3-CB 4.29Å; W265-F270 HydrophobicContact CH2-CB 3.9Å; W265-F270 AromaticContact CH2-CD2 3.63Å; W265-F270 HydrophobicContact CH2-CD2 3.63Å; W265-F270 HydrophobicContact CH2-CG 4.01Å; W265-F270 HydrophobicContact CZ2-CB 4.17Å; W265-F270 HydrophobicContact CZ2-CD2 4.18Å; W265-F270 HydrophobicContact CZ3-CB 3.95Å; W265-F270 HydrophobicContact CZ3-CD2 4.26Å; W265-F270 HydrophobicContact CZ3-CG 4.22Å; W265-F270 PolarHBondContact O-N 3.12Å; W265-L289 HydrophobicContact CH2-CD2 4.24Å; W265-L289 HydrophobicContact CZ3-CD2 3.94Å
266F92.6Very high89.4Confident1 Ų157.2 Ų57.20%0.00427%0.267CS..Iπ-helixtrans-60.6-52.9-180178.6-95.1000111.3F262 R263 F270 V271 L289 L303 I310 V312F262-F266 HydrophobicContact CE1-CB 4.38Å; F262-F266 WeakPolarHBondContact O-CB 3.39Å; F262-F266 PolarHBondContact O-N 3.32Å; R263-F266 WeakPolarHBondContact O-CB 3.49Å; R263-F266 PolarHBondContact O-N 3.34Å; F266-F270 HydrophobicContact CD2-CB 4.26Å; F266-F270 AromaticContact CD2-CD1 3.52Å; F266-F270 HydrophobicContact CD2-CD1 3.52Å; F266-F270 HydrophobicContact CD2-CE1 4.2Å; F266-F270 HydrophobicContact CD2-CG 4.14Å; F266-F270 AromaticContact CE2-CD1 3.43Å; F266-F270 HydrophobicContact CE2-CD1 3.43Å; F266-F270 VanDerWaalsContact CE2-CD1 3.43Å; F266-F270 AromaticContact CE2-CE1 3.73Å; F266-F270 HydrophobicContact CE2-CE1 3.73Å; F266-F270 HydrophobicContact CE2-CG 4.46Å; F266-F270 HydrophobicContact CG-CD1 4.48Å; F266-F270 HydrophobicContact CZ-CD1 4.35Å; F266-F270 WeakPolarHBondContact O-CB 3.44Å; F266-F270 PolarHBondContact O-N 3.14Å; F266-V271 HydrophobicContact CD1-CG2 4Å; F266-V271 HydrophobicContact CE1-CG2 3.58Å; F266-V271 HydrophobicContact CE2-CG2 4.26Å; F266-V271 HydrophobicContact CZ-CG2 3.73Å; F266-V271 PolarHBondContact O-N 3.23Å; F266-L289 HydrophobicContact CD2-CD2 4.14Å; F266-L289 HydrophobicContact CE2-CD2 4.36Å; F266-L303 HydrophobicContact CB-CD2 3.83Å; F266-L303 HydrophobicContact CD1-CD1 4.37Å; F266-L303 HydrophobicContact CD1-CD2 3.6Å; F266-L303 HydrophobicContact CD1-CG 3.79Å; F266-L303 HydrophobicContact CD2-CD2 4.06Å; F266-L303 HydrophobicContact CE1-CD2 4.13Å; F266-L303 HydrophobicContact CE1-CG 3.87Å; F266-L303 HydrophobicContact CG-CD2 3.55Å; F266-L303 HydrophobicContact CG-CG 4.22Å; F266-L303 HydrophobicContact CZ-CG 4.36Å; F266-I310 HydrophobicContact CE2-CG2 4.31Å; F266-I310 HydrophobicContact CZ-CG2 4.12Å; F266-V312 HydrophobicContact CD2-CG2 3.97Å; F266-V312 HydrophobicContact CE2-CG2 3.48Å; F266-V312 VanDerWaalsContact CE2-CG2 3.48Å; F266-V312 HydrophobicContact CZ-CG2 4.03Å
267E92Very high90.7Very high93 Ų9354.7 Ų54.744%0.43526%0.258SS..Iπ-helixtrans-69.2-45.3-177.5-67.7167-171.500112.4R263 P272R263-E267 WeakPolarHBondContact CG-OE1 3.32Å; R263-E267 WeakPolarHBondContact O-CG 3.1Å; R263-E267 PolarHBondContact O-N 3.41Å; E267-P272 VanDerWaalsContact O-CD 3.29Å; E267-P272 WeakPolarHBondContact O-CD 3.48Å
268K92.9Very high91.6Very high124 Ų12454 Ų5454%0.53926%0.255SS..Iπ-helixtrans-83.6-26.9-172.5-65.2-173.2-179.9177.30114.1Q264Q264-K268 HydrophobicContact CG-CD 3.75Å; Q264-K268 HydrophobicContact CG-CG 4.32Å; Q264-K268 VanDerWaalsContact O-CB 3.26Å; Q264-K268 WeakPolarHBondContact O-CB 3.35Å; Q264-K268 WeakPolarHBondContact O-CG 3.43Å; Q264-K268 PolarHBondContact O-N 3.42Å
269Y93.8Very high92.4Very high90 Ų9056.9 Ų56.935%0.35327%0.266SS..Iπ-helixtrans-125.6-49.6-170.8-62.9-80000113.1T248 Y250 W265 Q273T248-Y269 HydrophobicContact CG2-CD1 3.49Å; T248-Y269 VanDerWaalsContact CG2-CD1 3.49Å; T248-Y269 HydrophobicContact CG2-CD2 3.85Å; T248-Y269 HydrophobicContact CG2-CE1 3.42Å; T248-Y269 VanDerWaalsContact CG2-CE1 3.42Å; T248-Y269 HydrophobicContact CG2-CE2 3.78Å; T248-Y269 HydrophobicContact CG2-CG 3.69Å; Y250-Y269 VanDerWaalsContact OH-CE2 3.28Å; Y250-Y269 WeakPolarHBondContact OH-CE2 3.47Å; W265-Y269 WeakPolarHBondContact O-CA 3.34Å; W265-Y269 WeakPolarHBondContact O-CB 3.46Å; W265-Y269 PolarHBondContact O-N 3.38Å; Y269-Q273 VanDerWaalsContact O-CB 3.22Å; Y269-Q273 WeakPolarHBondContact O-CB 3.44Å; Y269-Q273 WeakPolarHBondContact O-CG 3.37Å; Y269-Q273 PolarHBondContact O-N 3.46Å; Y269-Q273 PolarHBondContact O-NE2 3.27Å
270F95.6Very high93.2Very high0 Ų057 Ų570%028%0.276CS..Iπ-helixtrans-65-58.8-176.6179.7-100000111.6Y174 L223 W265 F266 Q273 V274 L289 I310Y174-F270 AromaticContact CD1-CE2 3.9Å; Y174-F270 HydrophobicContact CD1-CE2 3.9Å; Y174-F270 HydrophobicContact CD1-CZ 4.42Å; Y174-F270 HydrophobicContact CD2-CZ 4.24Å; Y174-F270 AromaticContact CG-CE2 3.85Å; Y174-F270 HydrophobicContact CG-CE2 3.85Å; Y174-F270 AromaticContact CG-CZ 3.94Å; Y174-F270 HydrophobicContact CG-CZ 3.94Å; L223-F270 HydrophobicContact CD2-CB 4.22Å; L223-F270 HydrophobicContact CD2-CD2 3.6Å; L223-F270 HydrophobicContact CD2-CE2 4.44Å; L223-F270 HydrophobicContact CD2-CG 4.33Å; W265-F270 HydrophobicContact CE3-CB 4.29Å; W265-F270 HydrophobicContact CH2-CB 3.9Å; W265-F270 AromaticContact CH2-CD2 3.63Å; W265-F270 HydrophobicContact CH2-CD2 3.63Å; W265-F270 HydrophobicContact CH2-CG 4.01Å; W265-F270 HydrophobicContact CZ2-CB 4.17Å; W265-F270 HydrophobicContact CZ2-CD2 4.18Å; W265-F270 HydrophobicContact CZ3-CB 3.95Å; W265-F270 HydrophobicContact CZ3-CD2 4.26Å; W265-F270 HydrophobicContact CZ3-CG 4.22Å; W265-F270 PolarHBondContact O-N 3.12Å; F266-F270 HydrophobicContact CD2-CB 4.26Å; F266-F270 AromaticContact CD2-CD1 3.52Å; F266-F270 HydrophobicContact CD2-CD1 3.52Å; F266-F270 HydrophobicContact CD2-CE1 4.2Å; F266-F270 HydrophobicContact CD2-CG 4.14Å; F266-F270 AromaticContact CE2-CD1 3.43Å; F266-F270 HydrophobicContact CE2-CD1 3.43Å; F266-F270 VanDerWaalsContact CE2-CD1 3.43Å; F266-F270 AromaticContact CE2-CE1 3.73Å; F266-F270 HydrophobicContact CE2-CE1 3.73Å; F266-F270 HydrophobicContact CE2-CG 4.46Å; F266-F270 HydrophobicContact CG-CD1 4.48Å; F266-F270 HydrophobicContact CZ-CD1 4.35Å; F266-F270 WeakPolarHBondContact O-CB 3.44Å; F266-F270 PolarHBondContact O-N 3.14Å; F270-Q273 PolarHBondContact O-N 3.02Å; F270-V274 HydrophobicContact CD1-CG2 4.41Å; F270-V274 HydrophobicContact CD2-CG2 3.98Å; F270-V274 HydrophobicContact CE1-CG2 4.18Å; F270-V274 HydrophobicContact CE2-CG2 3.68Å; F270-V274 HydrophobicContact CG-CG2 4.31Å; F270-V274 HydrophobicContact CZ-CG2 3.78Å; F270-V274 WeakPolarHBondContact O-CB 3.46Å; F270-V274 VanDerWaalsContact O-CG2 3.25Å; F270-V274 WeakPolarHBondContact O-CG2 3.17Å; F270-V274 PolarHBondContact O-N 3.15Å; F270-L289 HydrophobicContact CD1-CD2 4.3Å; F270-L289 HydrophobicContact CD2-CD2 4.26Å; F270-L289 HydrophobicContact CE1-CB 3.94Å; F270-L289 HydrophobicContact CE1-CD2 4.07Å; F270-L289 HydrophobicContact CE2-CB 4.39Å; F270-L289 HydrophobicContact CE2-CD1 3.88Å; F270-L289 HydrophobicContact CE2-CD2 4.08Å; F270-L289 HydrophobicContact CE2-CG 4.35Å; F270-L289 HydrophobicContact CG-CD2 4.4Å; F270-L289 HydrophobicContact CZ-CB 3.67Å; F270-L289 HydrophobicContact CZ-CD1 4.01Å; F270-L289 HydrophobicContact CZ-CD2 3.99Å; F270-L289 HydrophobicContact CZ-CG 4.1Å; F270-I310 HydrophobicContact CD1-CG2 4.18Å; F270-I310 HydrophobicContact CE1-CG2 3.56Å
271V95.9Very high93.8Very high14 Ų1458.7 Ų58.79%0.08527%0.274CS..Hα-helixtrans-56.4-52.9-176.5169.70000111.8F266 Q273 V274 Q275 I310F266-V271 HydrophobicContact CD1-CG2 4Å; F266-V271 HydrophobicContact CE1-CG2 3.58Å; F266-V271 HydrophobicContact CE2-CG2 4.26Å; F266-V271 HydrophobicContact CZ-CG2 3.73Å; F266-V271 PolarHBondContact O-N 3.23Å; V271-Q273 PolarHBondContact O-N 3.43Å; V271-V274 PolarHBondContact O-N 2.88Å; V271-Q275 HydrophobicContact CG1-CG 4.39Å; V271-Q275 WeakPolarHBondContact O-CB 2.72Å; V271-Q275 VanDerWaalsContact O-CG 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.19Å; V271-Q275 PolarHBondContact O-N 2.84Å; V271-I310 HydrophobicContact CB-CD1 4.43Å; V271-I310 HydrophobicContact CG1-CD1 3.99Å; V271-I310 HydrophobicContact CG2-CD1 4.44Å; V271-I310 HydrophobicContact CG2-CG2 4.25Å
272P96Very high94.3Very high58 Ų5861.6 Ų61.638%0.37731%0.306SS..Hα-helixtrans-65.8-36.3-177.5-23.135.5000113.7E267 K276E267-P272 VanDerWaalsContact O-CD 3.29Å; E267-P272 WeakPolarHBondContact O-CD 3.48Å; P272-K276 VanDerWaalsContact O-CB 3.28Å; P272-K276 WeakPolarHBondContact O-CB 3.39Å; P272-K276 PolarHBondContact O-N 3.49Å
273Q96.2Very high94.7Very high49 Ų4963.5 Ų63.523%0.22932%0.316CS..Hα-helixtrans-70.6-41.2178.6-73.1179.361.700111.5Y269 F270 V271 K276 H277Y269-Q273 VanDerWaalsContact O-CB 3.22Å; Y269-Q273 WeakPolarHBondContact O-CB 3.44Å; Y269-Q273 WeakPolarHBondContact O-CG 3.37Å; Y269-Q273 PolarHBondContact O-N 3.46Å; Y269-Q273 PolarHBondContact O-NE2 3.27Å; F270-Q273 PolarHBondContact O-N 3.02Å; V271-Q273 PolarHBondContact O-N 3.43Å; Q273-K276 PolarHBondContact O-N 2.75Å; Q273-H277 VanDerWaalsContact O-CB 3.29Å; Q273-H277 WeakPolarHBondContact O-CB 3.36Å; Q273-H277 PolarHBondContact O-N 3.48Å
274V97.1Very high95Very high0 Ų064.6 Ų64.60%033%0.33CS..Hα-helixtrans-64.9-46.9176.7172.90000110.5Y174 F270 V271 K276 H277 L278 A287 I310Y174-V274 HydrophobicContact CD1-CG2 4.36Å; Y174-V274 HydrophobicContact CD2-CG2 4.47Å; Y174-V274 HydrophobicContact CE1-CG2 3.89Å; Y174-V274 HydrophobicContact CE2-CG1 3.83Å; Y174-V274 HydrophobicContact CE2-CG2 4.04Å; F270-V274 HydrophobicContact CD1-CG2 4.41Å; F270-V274 HydrophobicContact CD2-CG2 3.98Å; F270-V274 HydrophobicContact CE1-CG2 4.18Å; F270-V274 HydrophobicContact CE2-CG2 3.68Å; F270-V274 HydrophobicContact CG-CG2 4.31Å; F270-V274 HydrophobicContact CZ-CG2 3.78Å; F270-V274 WeakPolarHBondContact O-CB 3.46Å; F270-V274 VanDerWaalsContact O-CG2 3.25Å; F270-V274 WeakPolarHBondContact O-CG2 3.17Å; F270-V274 PolarHBondContact O-N 3.15Å; V271-V274 PolarHBondContact O-N 2.88Å; V274-K276 PolarHBondContact O-N 2.88Å; V274-H277 PolarHBondContact O-N 2.87Å; V274-L278 HydrophobicContact CG1-CD1 3.7Å; V274-L278 HydrophobicContact CG1-CG 4.12Å; V274-L278 WeakPolarHBondContact O-CB 3.41Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.48Å; V274-L278 PolarHBondContact O-N 3.31Å; V274-A287 HydrophobicContact CG1-CB 3.71Å; V274-I310 HydrophobicContact CB-CD1 4.43Å; V274-I310 HydrophobicContact CG1-CD1 4.19Å
275Q96.8Very high95.2Very high47 Ų4763.6 Ų63.622%0.2233%0.325CS..Hα-helixtrans-56.6-49.8175.6-74.2175.9-33.500111.8V271 H277 L278 K279 E285 I310V271-Q275 HydrophobicContact CG1-CG 4.39Å; V271-Q275 WeakPolarHBondContact O-CB 2.72Å; V271-Q275 VanDerWaalsContact O-CG 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.19Å; V271-Q275 PolarHBondContact O-N 2.84Å; Q275-H277 VanDerWaalsContact C-N 3.31Å; Q275-H277 PolarHBondContact O-N 2.75Å; Q275-L278 PolarHBondContact O-N 3.06Å; Q275-K279 VanDerWaalsContact O-CB 3.22Å; Q275-K279 WeakPolarHBondContact O-CB 3.15Å; Q275-K279 PolarHBondContact O-N 3.42Å; Q275-E285 HydrophobicContact CB-CG 4.43Å; Q275-E285 WeakPolarHBondContact CB-OE2 3.14Å; Q275-E285 HydrophobicContact CG-CB 4.26Å; Q275-E285 WeakPolarHBondContact CG-OE2 3.39Å; Q275-I310 HydrophobicContact CG-CD1 3.71Å
276K96.8Very high95.3Very high168 Ų16866.1 Ų66.173%0.7334%0.336SS*.Hα-helixtrans-58.4-43.6177.8-178.5179.4177.3-177.90111.9P272 Q273 V274 S280P272-K276 VanDerWaalsContact O-CB 3.28Å; P272-K276 WeakPolarHBondContact O-CB 3.39Å; P272-K276 PolarHBondContact O-N 3.49Å; Q273-K276 PolarHBondContact O-N 2.75Å; V274-K276 PolarHBondContact O-N 2.88Å; K276-S280 PolarHBondContact O-N 2.74Å
277H96.9Very high95.5Very high26 Ų2666.1 Ų66.112%0.1234%0.337CS..Hα-helixtrans-66.1-49.9179.4178.972.4000111.9E171 H221 Q273 V274 Q275 K279 S280 K281E171-H277 IonicContact OE1-CD2 3.78Å; E171-H277 IonicContact OE1-CE1 2.69Å; E171-H277 PolarHBondContact OE1-CE1 3.34Å; E171-H277 IonicContact OE1-NE2 3.64Å; E171-H277 PolarHBondContact OE1-NE2 2.71Å; H221-H277 AromaticContact CD2-CG 3.86Å; H221-H277 AromaticContact CD2-ND1 3.79Å; H221-H277 VanDerWaalsContact CE1-CB 3.49Å; H221-H277 WeakPolarHBondContact CE1-CB 3.18Å; H221-H277 AromaticContact CE1-CG 3.8Å; H221-H277 AromaticContact CG-CD2 3.7Å; H221-H277 AromaticContact CG-CE1 3.91Å; H221-H277 AromaticContact CG-CG 3.54Å; H221-H277 AromaticContact CG-ND1 3.72Å; H221-H277 AromaticContact CG-NE2 3.91Å; H221-H277 AromaticContact ND1-CD2 3.59Å; H221-H277 AromaticContact ND1-CG 3.5Å; Q273-H277 VanDerWaalsContact O-CB 3.29Å; Q273-H277 WeakPolarHBondContact O-CB 3.36Å; Q273-H277 PolarHBondContact O-N 3.48Å; V274-H277 PolarHBondContact O-N 2.87Å; Q275-H277 VanDerWaalsContact C-N 3.31Å; Q275-H277 PolarHBondContact O-N 2.75Å; H277-K279 VanDerWaalsContact C-N 3.33Å; H277-K279 PolarHBondContact O-N 3.49Å; H277-S280 WeakPolarHBondContact O-CB 3.45Å; H277-S280 PolarHBondContact O-N 3.02Å; H277-S280 PolarHBondContact O-OG 3.14Å; H277-K281 PolarHBondContact O-N 3.2Å; H277-K281 VanDerWaalsContact O-N 3.13Å
278L96.8Very high95.7Very high0 Ų061.7 Ų61.70%032%0.316CS..Hα-helixtrans-61.5-41.8179.1-67.1178.5000111.8E171 Q172 V274 Q275 S280 K281 G282 L283 K286 A287E171-L278 HydrophobicContact CG-CD2 4.42Å; Q172-L278 HydrophobicContact CG-CD1 4.21Å; Q172-L278 HydrophobicContact CG-CD2 3.67Å; V274-L278 HydrophobicContact CG1-CD1 3.7Å; V274-L278 HydrophobicContact CG1-CG 4.12Å; V274-L278 WeakPolarHBondContact O-CB 3.41Å; V274-L278 VanDerWaalsContact O-CG 3.28Å; V274-L278 WeakPolarHBondContact O-CG 3.48Å; V274-L278 PolarHBondContact O-N 3.31Å; Q275-L278 PolarHBondContact O-N 3.06Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 3.3Å; L278-K281 CarbonylContact O-C 3.47Å; L278-K281 WeakPolarHBondContact O-CA 3.5Å; L278-K281 PolarHBondContact O-N 2.96Å; L278-G282 PolarHBondContact O-N 2.77Å; L278-G282 VanDerWaalsContact O-N 3.16Å; L278-L283 HydrophobicContact CB-CB 4.34Å; L278-L283 HydrophobicContact CD2-CB 4.27Å; L278-L283 HydrophobicContact CD2-CD1 3.98Å; L278-L283 PolarHBondContact O-N 2.51Å; L278-K286 WeakPolarHBondContact CD1-O 3.49Å; L278-A287 HydrophobicContact CD1-CB 4.25Å
279K96.6Very high95.8Very high148 Ų14855.8 Ų55.864%0.64329%0.29SS*.Hα-helixtrans-59.2-40.6173-172.7173.5-173.5168.40112.3Q275 H277 K281 G282Q275-K279 VanDerWaalsContact O-CB 3.22Å; Q275-K279 WeakPolarHBondContact O-CB 3.15Å; Q275-K279 PolarHBondContact O-N 3.42Å; H277-K279 VanDerWaalsContact C-N 3.33Å; H277-K279 PolarHBondContact O-N 3.49Å; K279-K281 PolarHBondContact O-N 3.04Å; K279-G282 PolarHBondContact O-N 3.23Å; K279-G282 VanDerWaalsContact O-N 3.14Å
280S96.9Very high95.8Very high88 Ų8851.5 Ų51.562%0.61527%0.274SS*.Hα-helixtrans-66.5-22.5176.181.10000113.6K276 H277 L278K276-S280 PolarHBondContact O-N 2.74Å; H277-S280 WeakPolarHBondContact O-CB 3.45Å; H277-S280 PolarHBondContact O-N 3.02Å; H277-S280 PolarHBondContact O-OG 3.14Å; L278-S280 VanDerWaalsContact C-N 3.3Å; L278-S280 PolarHBondContact O-N 3.3Å
281K95Very high95.4Very high113 Ų11351.6 Ų51.649%0.49127%0.274SS..THydrogen-bonded Turntrans-91.8-1.4175.5-65.3-66.7-173.9174.60113.3E171 H277 L278 K279 L283E171-K281 HydrophobicContact CG-CG 4.42Å; H277-K281 PolarHBondContact O-N 3.2Å; H277-K281 VanDerWaalsContact O-N 3.13Å; L278-K281 CarbonylContact O-C 3.47Å; L278-K281 WeakPolarHBondContact O-CA 3.5Å; L278-K281 PolarHBondContact O-N 2.96Å; K279-K281 PolarHBondContact O-N 3.04Å; K281-L283 HydrophobicContact CB-CD1 4.05Å; K281-L283 HydrophobicContact CB-CG 4.03Å; K281-L283 PolarHBondContact O-N 3.17Å
282G94.8Very high94.4Very high72 Ų7252.4 Ų52.474%0.74228%0.278SS*.THydrogen-bonded Turntrans67.720.3-174.500000113.5L278 K279L278-G282 PolarHBondContact O-N 2.77Å; L278-G282 VanDerWaalsContact O-N 3.16Å; K279-G282 PolarHBondContact O-N 3.23Å; K279-G282 VanDerWaalsContact O-N 3.14Å
283L94.7Very high93.2Very high53 Ų5352.2 Ų52.228%0.27727%0.271SS..  trans-92.8156178.1-65.7174.8000110.6Q169 E171 Q172 L278 K281Q169-L283 HydrophobicContact CG-CD2 4.4Å; E171-L283 HydrophobicContact CB-CD1 3.72Å; E171-L283 HydrophobicContact CG-CD1 3.96Å; Q172-L283 HydrophobicContact CG-CD1 4.44Å; L278-L283 HydrophobicContact CB-CB 4.34Å; L278-L283 HydrophobicContact CD2-CB 4.27Å; L278-L283 HydrophobicContact CD2-CD1 3.98Å; L278-L283 PolarHBondContact O-N 2.51Å; K281-L283 HydrophobicContact CB-CD1 4.05Å; K281-L283 HydrophobicContact CB-CG 4.03Å; K281-L283 PolarHBondContact O-N 3.17Å
284L93.9Very high91.2Very high137 Ų13753.7 Ų53.772%0.71729%0.285SS*.  trans-59.5139.1168.6-66.7175.3000109.7Q172 K286Q172-L284 PolarHBondContact NE2-O 3.11Å; L284-K286 PolarHBondContact O-N 3.16Å
285E94.8Very high89.1Confident51 Ų5155.2 Ų55.224%0.23830%0.295CS..SBendtrans-73.853.5178.1-64.3-179.9-148.300111.6Q275 R309Q275-E285 HydrophobicContact CB-CG 4.43Å; Q275-E285 WeakPolarHBondContact CB-OE2 3.14Å; Q275-E285 HydrophobicContact CG-CB 4.26Å; Q275-E285 WeakPolarHBondContact CG-OE2 3.39Å; E285-R309 VanDerWaalsContact O-CB 3.3Å; E285-R309 WeakPolarHBondContact O-CB 3.29Å
286K95.8Very high86.6Confident56 Ų5656.9 Ų56.924%0.24332%0.317CS..  trans-120.4133.3-179.9-174.2-174.2-177.4-179.10108.4E166 L168 Q172 L278 L284 R309E166-K286 PolarHBondContact O-NZ 2.92Å; E166-K286 WeakPolarHBondContact OE2-CE 3.38Å; E166-K286 IonicContact OE2-NZ 3.85Å; E166-K286 PolarHBondContact OE2-NZ 3.14Å; L168-K286 HydrophobicContact CD2-CD 3.86Å; L168-K286 HydrophobicContact CD2-CG 3.94Å; Q172-K286 WeakPolarHBondContact CB-O 3.42Å; Q172-K286 VanDerWaalsContact CG-O 3.28Å; Q172-K286 WeakPolarHBondContact CG-O 3.2Å; Q172-K286 PolarHBondContact NE2-O 3.2Å; L278-K286 WeakPolarHBondContact CD1-O 3.49Å; L284-K286 PolarHBondContact O-N 3.16Å; K286-R309 VanDerWaalsContact CA-O 3.31Å; K286-R309 WeakPolarHBondContact CA-O 3.46Å; K286-R309 HydrophobicContact CB-CB 4.44Å; K286-R309 VanDerWaalsContact CG-O 3.3Å; K286-R309 WeakPolarHBondContact CG-O 3.35Å
287A97Very high83.9Confident2 Ų254.8 Ų54.82%0.01731%0.309CS..EExtended strand (participates in β ladder)trans-154.1160.2-179.500000112.6Q172 Y174 V274 L278 R309 I310 I311Q172-A287 CarbonylContact O-C 3.56Å; Q172-A287 WeakPolarHBondContact O-CA 3.47Å; Q172-A287 VanDerWaalsContact O-CB 3.3Å; Q172-A287 WeakPolarHBondContact O-CB 3.32Å; Y174-A287 HydrophobicContact CD2-CB 4.29Å; Y174-A287 HydrophobicContact CE2-CB 4.32Å; V274-A287 HydrophobicContact CG1-CB 3.71Å; L278-A287 HydrophobicContact CD1-CB 4.25Å; A287-R309 PolarHBondContact N-O 3.33Å; A287-R309 VanDerWaalsContact N-O 3.07Å; A287-I310 HydrophobicContact CB-CG1 4.14Å; A287-I310 HydrophobicContact CB-CG2 4.29Å; A287-I310 WeakPolarHBondContact O-CA 3.23Å; A287-I311 PolarHBondContact O-N 3.01Å
288V96.3Very high81.3Confident0 Ų059.6 Ų59.60%034%0.343CS..EExtended strand (participates in β ladder)trans-122.1135.2171.163.60000110.1F159 F162 L168 Q172 I173 Y174 I311 K313F159-V288 HydrophobicContact CE2-CG1 4.34Å; F159-V288 HydrophobicContact CZ-CG1 4.34Å; F162-V288 HydrophobicContact CE1-CB 4.12Å; F162-V288 HydrophobicContact CE1-CG1 4.27Å; F162-V288 HydrophobicContact CE1-CG2 4.02Å; F162-V288 HydrophobicContact CZ-CG2 4.47Å; L168-V288 HydrophobicContact CD1-CB 4.27Å; L168-V288 HydrophobicContact CD1-CG1 3.86Å; Q172-V288 PolarHBondContact O-N 2.93Å; I173-V288 HydrophobicContact CB-CG1 4.26Å; I173-V288 HydrophobicContact CG1-CG1 4.02Å; I173-V288 HydrophobicContact CG2-CG1 4.11Å; Y174-V288 PolarHBondContact N-O 3.3Å; V288-I311 CarbonylContact C-O 3.57Å; V288-I311 WeakPolarHBondContact CA-O 3.4Å; V288-I311 HydrophobicContact CG2-CG1 4.31Å; V288-K313 HydrophobicContact CG2-CB 3.99Å; V288-K313 HydrophobicContact CG2-CD 4.08Å; V288-K313 HydrophobicContact CG2-CG 3.9Å
289L95.2Very high78.6Confident0 Ų067 Ų670%038%0.383CS..EExtended strand (participates in β ladder)trans-109.4126.5172.4178.160000110.3Y174 A176 F262 W265 F266 F270 L291 I311 V312 K313Y174-L289 CarbonylContact O-C 3.51Å; Y174-L289 WeakPolarHBondContact O-CA 3.4Å; A176-L289 HydrophobicContact CB-CD1 3.91Å; F262-L289 HydrophobicContact CZ-CD2 3.89Å; W265-L289 HydrophobicContact CH2-CD2 4.24Å; W265-L289 HydrophobicContact CZ3-CD2 3.94Å; F266-L289 HydrophobicContact CD2-CD2 4.14Å; F266-L289 HydrophobicContact CE2-CD2 4.36Å; F270-L289 HydrophobicContact CD1-CD2 4.3Å; F270-L289 HydrophobicContact CD2-CD2 4.26Å; F270-L289 HydrophobicContact CE1-CB 3.94Å; F270-L289 HydrophobicContact CE1-CD2 4.07Å; F270-L289 HydrophobicContact CE2-CB 4.39Å; F270-L289 HydrophobicContact CE2-CD1 3.88Å; F270-L289 HydrophobicContact CE2-CD2 4.08Å; F270-L289 HydrophobicContact CE2-CG 4.35Å; F270-L289 HydrophobicContact CG-CD2 4.4Å; F270-L289 HydrophobicContact CZ-CB 3.67Å; F270-L289 HydrophobicContact CZ-CD1 4.01Å; F270-L289 HydrophobicContact CZ-CD2 3.99Å; F270-L289 HydrophobicContact CZ-CG 4.1Å; L289-L291 HydrophobicContact CD2-CD2 4.32Å; L289-L291 HydrophobicContact CG-CD2 4.24Å; L289-L291 HydrophobicContact CG-CG 4.34Å; L289-I311 PolarHBondContact N-O 2.95Å; L289-V312 HydrophobicContact CB-CG2 4.26Å; L289-V312 HydrophobicContact CD2-CG2 4.26Å; L289-V312 CarbonylContact O-C 3.31Å; L289-V312 WeakPolarHBondContact O-CA 3.32Å; L289-K313 PolarHBondContact O-N 3.49Å
290L92.4Very high76.4Confident0 Ų062.7 Ų62.70%037%0.365CS..EExtended strand (participates in β ladder)trans-98.8128178.5-66.8167.8000111.9F155 F159 I173 Y174 A176 K313 W385 L388F155-L290 HydrophobicContact CE1-CD2 4.48Å; F155-L290 HydrophobicContact CZ-CD2 4.11Å; F159-L290 HydrophobicContact CD2-CD2 4.13Å; F159-L290 HydrophobicContact CE1-CD1 3.91Å; F159-L290 HydrophobicContact CE2-CD1 3.84Å; F159-L290 HydrophobicContact CE2-CD2 3.69Å; F159-L290 HydrophobicContact CE2-CG 4.14Å; F159-L290 HydrophobicContact CZ-CD1 3.45Å; F159-L290 VanDerWaalsContact CZ-CD1 3.45Å; F159-L290 HydrophobicContact CZ-CD2 4.22Å; F159-L290 HydrophobicContact CZ-CG 4.19Å; I173-L290 HydrophobicContact CG2-CD1 4.35Å; Y174-L290 PolarHBondContact O-N 3.49Å; A176-L290 PolarHBondContact N-O 3.34Å; A176-L290 VanDerWaalsContact N-O 3.08Å; L290-K313 WeakPolarHBondContact CA-O 3.43Å; L290-K313 HydrophobicContact CD2-CB 3.67Å; L290-W385 HydrophobicContact CD1-CH2 3.8Å; L290-W385 HydrophobicContact CD1-CZ3 3.59Å; L290-L388 HydrophobicContact CD1-CD2 3.51Å
291L86.8Confident74.5Confident1 Ų167.2 Ų67.21%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-130.5150.1-179.4-60.5177000111.7A176 F262 L289 F293 V312 K313 Y314 L315A176-L291 HydrophobicContact CB-CD2 3.8Å; F262-L291 HydrophobicContact CE1-CD1 3.6Å; F262-L291 HydrophobicContact CE2-CD1 3.89Å; F262-L291 HydrophobicContact CE2-CD2 3.95Å; F262-L291 HydrophobicContact CZ-CD1 3.24Å; F262-L291 HydrophobicContact CZ-CD2 3.94Å; F262-L291 HydrophobicContact CZ-CG 4.17Å; L289-L291 HydrophobicContact CD2-CD2 4.32Å; L289-L291 HydrophobicContact CG-CD2 4.24Å; L289-L291 HydrophobicContact CG-CG 4.34Å; L291-F293 HydrophobicContact CB-CE2 4.49Å; L291-F293 HydrophobicContact CD1-CE2 4.15Å; L291-F293 HydrophobicContact CD2-CE2 4.32Å; L291-F293 HydrophobicContact CD2-CZ 4.02Å; L291-V312 HydrophobicContact CD1-CG1 3.4Å; L291-V312 VanDerWaalsContact CD1-CG1 3.4Å; L291-V312 HydrophobicContact CG-CG1 3.95Å; L291-K313 PolarHBondContact N-O 3.28Å; L291-Y314 HydrophobicContact CB-CD1 4.01Å; L291-Y314 HydrophobicContact CB-CE1 4.26Å; L291-Y314 HydrophobicContact CD1-CD1 4.48Å; L291-Y314 HydrophobicContact CD1-CE1 3.92Å; L291-Y314 CarbonylContact O-C 3.54Å; L291-Y314 WeakPolarHBondContact O-CA 3.16Å; L291-L315 WeakPolarHBondContact O-CG 3.35Å; L291-L315 PolarHBondContact O-N 3Å
292D76.6Confident73.1Confident32 Ų3265.3 Ų65.317%0.17137%0.37CS..SBendtrans-102.3-5.3-177.469.2-45.1000114.6L315 T320 Q324D292-L315 HydrophobicContact CB-CD1 4.03Å; D292-T320 HydrophobicContact CB-CG2 3.83Å; D292-T320 WeakPolarHBondContact CB-OG1 3.18Å; D292-T320 WeakPolarHBondContact OD2-CG2 3.37Å; D292-Q324 HydrophobicContact CB-CG 4.14Å
293F69.4Low72.4Confident54 Ų5462.9 Ų62.924%0.23734%0.34CS..SBendtrans-110.1107.9174.635.4-89.3000109.6Q178 F262 L291 Y314Q178-F293 HydrophobicContact CG-CE1 4.09Å; F262-F293 HydrophobicContact CD2-CE2 4.36Å; L291-F293 HydrophobicContact CB-CE2 4.49Å; L291-F293 HydrophobicContact CD1-CE2 4.15Å; L291-F293 HydrophobicContact CD2-CE2 4.32Å; L291-F293 HydrophobicContact CD2-CZ 4.02Å; F293-Y314 VanDerWaalsContact O-CD1 3.31Å; F293-Y314 WeakPolarHBondContact O-CD1 3.48Å; F293-Y314 WeakPolarHBondContact O-CE1 3.42Å
294P55.1Low72.2Confident80 Ų8063 Ų6352%0.51935%0.345SS..  trans-66.4159.4176.128.1-33.5000111.2
295P52.8Low72Confident31 Ų3156.9 Ų56.920%0.20131%0.313CS..  trans-60150.7172.519.7-23.6000110.7H297 E300 Y314P295-H297 PolarHBondContact O-N 2.98Å; P295-H297 VanDerWaalsContact O-N 3.13Å; P295-E300 HydrophobicContact CB-CB 3.93Å; P295-E300 WeakPolarHBondContact CB-OE2 3.3Å; P295-E300 HydrophobicContact CG-CB 4.34Å; P295-Y314 HydrophobicContact CG-CE2 4.04Å
296A44.4Very low71.7Confident82 Ų8263 Ų6368%0.67835%0.348SS*.SBendtrans-62.9-20.8-178.100000112.6
297H40.4Very low71.3Confident124 Ų12463.4 Ų63.457%0.57435%0.353SS*.SBendtrans-130.2134.2178.9-60.9-57.7000111.5P295 N299 E300P295-H297 PolarHBondContact O-N 2.98Å; P295-H297 VanDerWaalsContact O-N 3.13Å; H297-N299 PolarHBondContact O-N 3.37Å; H297-N299 VanDerWaalsContact O-N 3.13Å; H297-E300 HydrophobicContact CB-CG 4.44Å; H297-E300 PolarHBondContact O-N 3.03Å
298P42.4Very low71Confident128 Ų12865.3 Ų65.383%0.83137%0.373SS*.THydrogen-bonded Turntrans-63-18.8-179.3-7.412.2000114.7
299N40Very low70.8Confident156 Ų15671.7 Ų71.783%0.83440%0.397SS*.THydrogen-bonded Turntrans-89.60.7-179-68.5-5.2000113.3H297 E301H297-N299 PolarHBondContact O-N 3.37Å; H297-N299 VanDerWaalsContact O-N 3.13Å; N299-E301 PolarHBondContact O-N 3Å
300E50.5Low70.8Confident56 Ų5671.7 Ų71.726%0.26240%0.397SS..SBendtrans-73.3109.5169-72.7-172135.900108.6Q259 P295 H297 M302Q259-E300 PolarHBondContact NE2-OE1 3.25Å; Q259-E300 PolarHBondContact NE2-OE2 3.3Å; Q259-E300 PolarHBondContact OE1-OE1 3.4Å; P295-E300 HydrophobicContact CB-CB 3.93Å; P295-E300 WeakPolarHBondContact CB-OE2 3.3Å; P295-E300 HydrophobicContact CG-CB 4.34Å; H297-E300 HydrophobicContact CB-CG 4.44Å; H297-E300 PolarHBondContact O-N 3.03Å; E300-M302 PolarHBondContact O-N 3.41Å
301E55.5Low70.8Confident183 Ų18373.5 Ų73.586%0.85541%0.406SS*.  trans-43.5138.5172.7-69.1177.8164.600110.6N299 L303N299-E301 PolarHBondContact O-N 3Å; E301-L303 PolarHBondContact O-N 3.25Å
302M65.8Low71Confident74 Ų7473.4 Ų73.437%0.36541%0.406SS..  trans-48.8104.9174.4-168.5177.7172.200109.2E300 S304 I311 V312 K313E300-M302 PolarHBondContact O-N 3.41Å; M302-S304 PolarHBondContact O-N 2.87Å; M302-S304 VanDerWaalsContact O-N 3.14Å; M302-I311 HydrophobicContact CE-CB 3.89Å; M302-I311 HydrophobicContact CE-CD1 3.44Å; M302-I311 VanDerWaalsContact CE-CD1 3.44Å; M302-I311 HydrophobicContact CE-CG1 3.64Å; M302-I311 HydrophobicContact SD-CD1 4.31Å; M302-V312 VanDerWaalsContact CE-C 3.42Å; M302-V312 WeakPolarHBondContact CE-O 3.5Å; M302-V312 WeakPolarHBondContact CG-O 3.39Å; M302-K313 HydrophobicContact CE-CB 4.11Å; M302-K313 HydrophobicContact CE-CD 4.3Å; M302-K313 HydrophobicContact CE-CG 3.18Å
303L81.1Confident71.5Confident20 Ų2074.5 Ų74.511%0.10541%0.409CS..  trans-50.5124.5-173.5-176.671.2000109.5F262 R263 F266 E301 V312F262-L303 HydrophobicContact CD1-CD2 4.05Å; F262-L303 HydrophobicContact CE1-CD2 3.73Å; R263-L303 HydrophobicContact CG-CD1 4.29Å; F266-L303 HydrophobicContact CB-CD2 3.83Å; F266-L303 HydrophobicContact CD1-CD1 4.37Å; F266-L303 HydrophobicContact CD1-CD2 3.6Å; F266-L303 HydrophobicContact CD1-CG 3.79Å; F266-L303 HydrophobicContact CD2-CD2 4.06Å; F266-L303 HydrophobicContact CE1-CD2 4.13Å; F266-L303 HydrophobicContact CE1-CG 3.87Å; F266-L303 HydrophobicContact CG-CD2 3.55Å; F266-L303 HydrophobicContact CG-CG 4.22Å; F266-L303 HydrophobicContact CZ-CG 4.36Å; E301-L303 PolarHBondContact O-N 3.25Å; L303-V312 HydrophobicContact CB-CB 4.17Å; L303-V312 HydrophobicContact CB-CG2 3.93Å; L303-V312 HydrophobicContact CD2-CG2 4.22Å; L303-V312 HydrophobicContact CG-CG2 4.34Å; L303-V312 WeakPolarHBondContact O-CB 3.35Å; L303-V312 WeakPolarHBondContact O-CG2 3.27Å; L303-V312 PolarHBondContact O-N 3.16Å
304S89.3Confident72.3Confident55 Ų5574.8 Ų74.839%0.38541%0.409SS..BIsolated β-bridgetrans-137.8161.7-17460.70000111.3M302 I310M302-S304 PolarHBondContact O-N 2.87Å; M302-S304 VanDerWaalsContact O-N 3.14Å; S304-I310 CarbonylContact C-O 3.56Å; S304-I310 WeakPolarHBondContact CA-O 3.13Å
305S90.8Very high73.7Confident9 Ų971.2 Ų71.26%0.06339%0.385CS..  trans-67.7159.4166.951.90000111D307 G308 R309 I310S305-D307 WeakPolarHBondContact CB-OD1 3.28Å; S305-D307 PolarHBondContact O-N 3.34Å; S305-D307 PolarHBondContact OG-OD1 2.92Å; S305-G308 WeakPolarHBondContact O-CA 3.34Å; S305-G308 PolarHBondContact O-N 3.02Å; S305-R309 PolarHBondContact OG-N 3.35Å; S305-I310 PolarHBondContact N-O 3.24Å; S305-I310 PolarHBondContact OG-N 3.15Å; S305-I310 PolarHBondContact OG-O 2.94Å
306D88.5Confident75.1Confident179 Ų17971.3 Ų71.396%0.95739%0.386SS*.THydrogen-bonded Turntrans-53.8-29.2179.3-61.6-19.5000113.6
307D87.9Confident76.6Confident66 Ų6672 Ų7235%0.35338%0.383SS..THydrogen-bonded Turntrans-92.30.6177.970-8.5000114.2S305 R309S305-D307 WeakPolarHBondContact CB-OD1 3.28Å; S305-D307 PolarHBondContact O-N 3.34Å; S305-D307 PolarHBondContact OG-OD1 2.92Å; D307-R309 HydrophobicContact CB-CG 4.39Å; D307-R309 PolarHBondContact O-N 2.79Å; D307-R309 PolarHBondContact OD1-N 3.03Å; D307-R309 VanDerWaalsContact OD1-N 3.12Å; D307-R309 VanDerWaalsContact OD2-CD 3.25Å; D307-R309 WeakPolarHBondContact OD2-CD 3.44Å; D307-R309 IonicContact OD2-CZ 3.76Å; D307-R309 IonicContact OD2-NE 2.62Å; D307-R309 PolarHBondContact OD2-NE 3.37Å; D307-R309 VanDerWaalsContact OD2-NE 3.16Å; D307-R309 IonicContact OD2-NH1 2.74Å; D307-R309 IonicContact OD2-NH2 3.03Å
308G89.4Confident78.1Confident42 Ų4270.9 Ų70.943%0.43338%0.382SS..SBendtrans695.7179.800000115.7S305 I311S305-G308 WeakPolarHBondContact O-CA 3.34Å; S305-G308 PolarHBondContact O-N 3.02Å; G308-I311 WeakPolarHBondContact O-CG2 3.47Å
309R92.7Very high79.9Confident134 Ų13464.8 Ų64.851%0.50634%0.342SS..  trans-86.3-24.9-174.1-59.2-176.7-153.2162.110113.8E285 K286 A287 S305 D307E285-R309 VanDerWaalsContact O-CB 3.3Å; E285-R309 WeakPolarHBondContact O-CB 3.29Å; K286-R309 VanDerWaalsContact CA-O 3.31Å; K286-R309 WeakPolarHBondContact CA-O 3.46Å; K286-R309 HydrophobicContact CB-CB 4.44Å; K286-R309 VanDerWaalsContact CG-O 3.3Å; K286-R309 WeakPolarHBondContact CG-O 3.35Å; A287-R309 PolarHBondContact N-O 3.33Å; A287-R309 VanDerWaalsContact N-O 3.07Å; S305-R309 PolarHBondContact OG-N 3.35Å; D307-R309 HydrophobicContact CB-CG 4.39Å; D307-R309 PolarHBondContact O-N 2.79Å; D307-R309 PolarHBondContact OD1-N 3.03Å; D307-R309 VanDerWaalsContact OD1-N 3.12Å; D307-R309 VanDerWaalsContact OD2-CD 3.25Å; D307-R309 WeakPolarHBondContact OD2-CD 3.44Å; D307-R309 IonicContact OD2-CZ 3.76Å; D307-R309 IonicContact OD2-NE 2.62Å; D307-R309 PolarHBondContact OD2-NE 3.37Å; D307-R309 VanDerWaalsContact OD2-NE 3.16Å; D307-R309 IonicContact OD2-NH1 2.74Å; D307-R309 IonicContact OD2-NH2 3.03Å
310I94.9Very high81.8Confident0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-109.2119.3175.7-61.7172.2000107.5F266 F270 V271 V274 Q275 A287 S304 S305F266-I310 HydrophobicContact CE2-CG2 4.31Å; F266-I310 HydrophobicContact CZ-CG2 4.12Å; F270-I310 HydrophobicContact CD1-CG2 4.18Å; F270-I310 HydrophobicContact CE1-CG2 3.56Å; V271-I310 HydrophobicContact CB-CD1 4.43Å; V271-I310 HydrophobicContact CG1-CD1 3.99Å; V271-I310 HydrophobicContact CG2-CD1 4.44Å; V271-I310 HydrophobicContact CG2-CG2 4.25Å; V274-I310 HydrophobicContact CB-CD1 4.43Å; V274-I310 HydrophobicContact CG1-CD1 4.19Å; Q275-I310 HydrophobicContact CG-CD1 3.71Å; A287-I310 HydrophobicContact CB-CG1 4.14Å; A287-I310 HydrophobicContact CB-CG2 4.29Å; A287-I310 WeakPolarHBondContact O-CA 3.23Å; S304-I310 CarbonylContact C-O 3.56Å; S304-I310 WeakPolarHBondContact CA-O 3.13Å; S305-I310 PolarHBondContact N-O 3.24Å; S305-I310 PolarHBondContact OG-N 3.15Å; S305-I310 PolarHBondContact OG-O 2.94Å
311I92.6Very high83.1Confident37 Ų3757.9 Ų57.919%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-130.4152.7-17269.3178.2000112F162 A287 V288 L289 M302 G308F162-I311 HydrophobicContact CE2-CD1 4.22Å; F162-I311 HydrophobicContact CZ-CD1 3.82Å; A287-I311 PolarHBondContact O-N 3.01Å; V288-I311 CarbonylContact C-O 3.57Å; V288-I311 WeakPolarHBondContact CA-O 3.4Å; V288-I311 HydrophobicContact CG2-CG1 4.31Å; L289-I311 PolarHBondContact N-O 2.95Å; M302-I311 HydrophobicContact CE-CB 3.89Å; M302-I311 HydrophobicContact CE-CD1 3.44Å; M302-I311 VanDerWaalsContact CE-CD1 3.44Å; M302-I311 HydrophobicContact CE-CG1 3.64Å; M302-I311 HydrophobicContact SD-CD1 4.31Å; G308-I311 WeakPolarHBondContact O-CG2 3.47Å
312V90.5Very high84.4Confident0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-101.4119.6177.1175.90000110.9F266 L289 L291 M302 L303 Y314F266-V312 HydrophobicContact CD2-CG2 3.97Å; F266-V312 HydrophobicContact CE2-CG2 3.48Å; F266-V312 VanDerWaalsContact CE2-CG2 3.48Å; F266-V312 HydrophobicContact CZ-CG2 4.03Å; L289-V312 HydrophobicContact CB-CG2 4.26Å; L289-V312 HydrophobicContact CD2-CG2 4.26Å; L289-V312 CarbonylContact O-C 3.31Å; L289-V312 WeakPolarHBondContact O-CA 3.32Å; L291-V312 HydrophobicContact CD1-CG1 3.4Å; L291-V312 VanDerWaalsContact CD1-CG1 3.4Å; L291-V312 HydrophobicContact CG-CG1 3.95Å; M302-V312 VanDerWaalsContact CE-C 3.42Å; M302-V312 WeakPolarHBondContact CE-O 3.5Å; M302-V312 WeakPolarHBondContact CG-O 3.39Å; L303-V312 HydrophobicContact CB-CB 4.17Å; L303-V312 HydrophobicContact CB-CG2 3.93Å; L303-V312 HydrophobicContact CD2-CG2 4.22Å; L303-V312 HydrophobicContact CG-CG2 4.34Å; L303-V312 WeakPolarHBondContact O-CB 3.35Å; L303-V312 WeakPolarHBondContact O-CG2 3.27Å; L303-V312 PolarHBondContact O-N 3.16Å; V312-Y314 HydrophobicContact CG1-CD1 4.42Å; V312-Y314 HydrophobicContact CG1-CE1 3.86Å; V312-Y314 HydrophobicContact CG1-CE2 4.09Å
313K88.3Confident85.5Confident54 Ų5447.8 Ų47.824%0.23526%0.264CS..EExtended strand (participates in β ladder)trans-100.1137.6168.7-83.1-169.8174.4-71.60110.8F159 F162 V288 L289 L290 L291 M302F159-K313 HydrophobicContact CD2-CD 4.28Å; F159-K313 HydrophobicContact CE2-CD 4.39Å; F162-K313 HydrophobicContact CD1-CD 3.99Å; F162-K313 HydrophobicContact CE1-CD 3.94Å; F162-K313 VanDerWaalsContact CE1-CE 3.5Å; F162-K313 HydrophobicContact CG-CD 4.35Å; F162-K313 VanDerWaalsContact CG-CE 3.44Å; F162-K313 HydrophobicContact CZ-CD 4.23Å; F162-K313 VanDerWaalsContact CZ-CE 3.42Å; V288-K313 HydrophobicContact CG2-CB 3.99Å; V288-K313 HydrophobicContact CG2-CD 4.08Å; V288-K313 HydrophobicContact CG2-CG 3.9Å; L289-K313 PolarHBondContact O-N 3.49Å; L290-K313 WeakPolarHBondContact CA-O 3.43Å; L290-K313 HydrophobicContact CD2-CB 3.67Å; L291-K313 PolarHBondContact N-O 3.28Å; M302-K313 HydrophobicContact CE-CB 4.11Å; M302-K313 HydrophobicContact CE-CD 4.3Å; M302-K313 HydrophobicContact CE-CG 3.18Å
314Y86Confident85.9Confident60 Ų6046.9 Ų46.924%0.23526%0.259CS..EExtended strand (participates in β ladder)trans-99139.2177-58.6-80000110.8L291 F293 P295 V312L291-Y314 HydrophobicContact CB-CD1 4.01Å; L291-Y314 HydrophobicContact CB-CE1 4.26Å; L291-Y314 HydrophobicContact CD1-CD1 4.48Å; L291-Y314 HydrophobicContact CD1-CE1 3.92Å; L291-Y314 CarbonylContact O-C 3.54Å; L291-Y314 WeakPolarHBondContact O-CA 3.16Å; F293-Y314 VanDerWaalsContact O-CD1 3.31Å; F293-Y314 WeakPolarHBondContact O-CD1 3.48Å; F293-Y314 WeakPolarHBondContact O-CE1 3.42Å; P295-Y314 HydrophobicContact CG-CE2 4.04Å; V312-Y314 HydrophobicContact CG1-CD1 4.42Å; V312-Y314 HydrophobicContact CG1-CE1 3.86Å; V312-Y314 HydrophobicContact CG1-CE2 4.09Å
315L84.2Confident86Confident5 Ų544.2 Ų44.23%0.02624%0.241CC..PPolyproline II helixtrans-72.3149.4169.4-62.5179.4000110.1F155 L291 D292 V319 I323 Q324F155-L315 HydrophobicContact CD1-CD2 3.85Å; F155-L315 HydrophobicContact CE1-CD2 3.26Å; F155-L315 HydrophobicContact CE2-CD2 4.45Å; F155-L315 HydrophobicContact CZ-CD2 3.61Å; L291-L315 WeakPolarHBondContact O-CG 3.35Å; L291-L315 PolarHBondContact O-N 3Å; D292-L315 HydrophobicContact CB-CD1 4.03Å; L315-V319 HydrophobicContact CB-CG2 3.81Å; L315-V319 HydrophobicContact CD1-CG2 4.42Å; L315-I323 HydrophobicContact CD2-CD1 4.18Å; L315-I323 HydrophobicContact CD2-CG1 4.48Å; L315-Q324 HydrophobicContact CD1-CB 3.54Å; L315-Q324 HydrophobicContact CD1-CG 4.04Å
316P82.2Confident85.9Confident34 Ų3443.8 Ų43.822%0.22124%0.238CC..PPolyproline II helixtrans-58157.4170.5-2429.5000112.6A151 F155 V319A151-P316 HydrophobicContact CB-CB 4.41Å; F155-P316 HydrophobicContact CB-CG 3.86Å; F155-P316 HydrophobicContact CD2-CG 3.72Å; F155-P316 HydrophobicContact CG-CG 4Å; P316-V319 HydrophobicContact CB-CG1 4Å; P316-V319 HydrophobicContact CB-CG2 4.36Å; P316-V319 HydrophobicContact CG-CG1 4.5Å; P316-V319 WeakPolarHBondContact O-CG2 3.24Å
317P75.4Confident85.8Confident95 Ų9537.1 Ų37.162%0.61721%0.205SC*.THydrogen-bonded Turntrans-56.9148.4172.4-19.130.5000111.6V319P317-V319 PolarHBondContact O-N 3.45Å; P317-V319 VanDerWaalsContact O-N 3.15Å
318N72.3Confident85.7Confident102 Ų10236 Ų3655%0.54520%0.198SC..THydrogen-bonded Turntrans63.811.6173.3-57.8-47000117.3G147 D148G147-N318 WeakPolarHBondContact CA-O 3.49Å; D148-N318 PolarHBondContact N-O 3.27Å
319V80.7Confident85.4Confident0 Ų035.4 Ų35.40%019%0.191CC..  trans-102.4-9.8177.6-51.20000114A151 A152 L315 P316 P317 S321 L322 I323A151-V319 HydrophobicContact CB-CG1 3.99Å; A152-V319 HydrophobicContact CB-CB 4.22Å; A152-V319 HydrophobicContact CB-CG1 4.09Å; L315-V319 HydrophobicContact CB-CG2 3.81Å; L315-V319 HydrophobicContact CD1-CG2 4.42Å; P316-V319 HydrophobicContact CB-CG1 4Å; P316-V319 HydrophobicContact CB-CG2 4.36Å; P316-V319 HydrophobicContact CG-CG1 4.5Å; P316-V319 WeakPolarHBondContact O-CG2 3.24Å; P317-V319 PolarHBondContact O-N 3.45Å; P317-V319 VanDerWaalsContact O-N 3.15Å; V319-S321 VanDerWaalsContact C-N 3.31Å; V319-S321 PolarHBondContact O-N 3Å; V319-S321 VanDerWaalsContact O-N 3.17Å; V319-L322 WeakPolarHBondContact O-CA 3.48Å; V319-L322 WeakPolarHBondContact O-CB 3.16Å; V319-L322 PolarHBondContact O-N 2.99Å; V319-I323 HydrophobicContact CB-CD1 3.94Å; V319-I323 HydrophobicContact CB-CG1 3.89Å; V319-I323 HydrophobicContact CG2-CD1 3.65Å; V319-I323 HydrophobicContact CG2-CG1 3.7Å; V319-I323 PolarHBondContact O-N 3.33Å
320T78.4Confident85.2Confident32 Ų3229 Ų2920%0.19617%0.167CC..Hα-helixtrans-47.8-51-175.4-480000112.5D292 L322 Q324 S327D292-T320 HydrophobicContact CB-CG2 3.83Å; D292-T320 WeakPolarHBondContact CB-OG1 3.18Å; D292-T320 WeakPolarHBondContact OD2-CG2 3.37Å; T320-L322 PolarHBondContact O-N 3.01Å; T320-L322 VanDerWaalsContact O-N 3.14Å; T320-Q324 HydrophobicContact CG2-CB 3.72Å; T320-Q324 HydrophobicContact CG2-CG 4.09Å; T320-Q324 VanDerWaalsContact O-CB 3.3Å; T320-Q324 WeakPolarHBondContact O-CB 3.13Å; T320-Q324 PolarHBondContact O-N 3.28Å; T320-S327 WeakPolarHBondContact CG2-OG 3.31Å
321S78.9Confident84.9Confident34 Ų3429.6 Ų29.624%0.23817%0.17CC..Hα-helixtrans-67.4-16.4-177.675.80000114.2V319 Q328V319-S321 VanDerWaalsContact C-N 3.31Å; V319-S321 PolarHBondContact O-N 3Å; V319-S321 VanDerWaalsContact O-N 3.17Å; S321-Q328 PolarHBondContact O-NE2 3.46Å
322L81.9Confident84.5Confident39 Ų3930.1 Ų30.120%0.20418%0.18CC..Hα-helixtrans-92.9-48.6180-59.3-178.3000111.6E149 A152 V319 T320 Q328 K387E149-L322 HydrophobicContact CG-CD1 4.1Å; A152-L322 HydrophobicContact CB-CB 4.26Å; A152-L322 HydrophobicContact CB-CD1 3.82Å; V319-L322 WeakPolarHBondContact O-CA 3.48Å; V319-L322 WeakPolarHBondContact O-CB 3.16Å; V319-L322 PolarHBondContact O-N 2.99Å; T320-L322 PolarHBondContact O-N 3.01Å; T320-L322 VanDerWaalsContact O-N 3.14Å; L322-Q328 VanDerWaalsContact C-NE2 3.31Å; L322-Q328 PolarHBondContact O-NE2 3.03Å; L322-K387 WeakPolarHBondContact O-CD 3.5Å
323I88.4Confident84.3Confident7 Ų731.5 Ų31.54%0.03619%0.189CC..Hα-helixtrans-129.7-10.8-165.262.1172.6000115.6A152 F155 L315 V319 P325 L388A152-I323 HydrophobicContact CB-CD1 4.19Å; A152-I323 HydrophobicContact CB-CG2 3.94Å; F155-I323 HydrophobicContact CB-CD1 4.23Å; F155-I323 HydrophobicContact CD1-CD1 3.73Å; F155-I323 HydrophobicContact CG-CD1 4.29Å; L315-I323 HydrophobicContact CD2-CD1 4.18Å; L315-I323 HydrophobicContact CD2-CG1 4.48Å; V319-I323 HydrophobicContact CB-CD1 3.94Å; V319-I323 HydrophobicContact CB-CG1 3.89Å; V319-I323 HydrophobicContact CG2-CD1 3.65Å; V319-I323 HydrophobicContact CG2-CG1 3.7Å; V319-I323 PolarHBondContact O-N 3.33Å; I323-P325 WeakPolarHBondContact O-CD 3.43Å; I323-P325 VanDerWaalsContact O-N 3.14Å; I323-L388 HydrophobicContact CB-CB 4.45Å; I323-L388 HydrophobicContact CB-CD1 4.13Å; I323-L388 HydrophobicContact CD1-CD1 4.02Å; I323-L388 HydrophobicContact CG1-CD1 4.44Å
324Q89.9Confident84.5Confident0 Ų029 Ų290%018%0.178CC..  trans-69.3113179178.659-38.200110A176 D177 D292 L315 T320 M326 S327 Q328A176-Q324 PolarHBondContact O-NE2 3.16Å; D177-Q324 HydrophobicContact CB-CG 4.21Å; D292-Q324 HydrophobicContact CB-CG 4.14Å; L315-Q324 HydrophobicContact CD1-CB 3.54Å; L315-Q324 HydrophobicContact CD1-CG 4.04Å; T320-Q324 HydrophobicContact CG2-CB 3.72Å; T320-Q324 HydrophobicContact CG2-CG 4.09Å; T320-Q324 VanDerWaalsContact O-CB 3.3Å; T320-Q324 WeakPolarHBondContact O-CB 3.13Å; T320-Q324 PolarHBondContact O-N 3.28Å; Q324-M326 PolarHBondContact O-N 3.44Å; Q324-S327 WeakPolarHBondContact CB-OG 3.49Å; Q324-S327 WeakPolarHBondContact CG-OG 3.49Å; Q324-S327 WeakPolarHBondContact O-CB 3.46Å; Q324-S327 PolarHBondContact O-N 3.03Å; Q324-Q328 WeakPolarHBondContact O-CG 3.49Å; Q324-Q328 PolarHBondContact O-N 3.35Å
325P91.7Very high84.5Confident0 Ų026.5 Ų26.50%017%0.168CC..G310 helixtrans-61.6-42.3-166.5-27.938.4000113I323 S327 Q328 A384 W385 L388I323-P325 WeakPolarHBondContact O-CD 3.43Å; I323-P325 VanDerWaalsContact O-N 3.14Å; P325-S327 PolarHBondContact O-N 3.17Å; P325-Q328 WeakPolarHBondContact O-CB 3.45Å; P325-Q328 PolarHBondContact O-N 3.33Å; P325-A384 WeakPolarHBondContact O-CB 3.4Å; P325-W385 HydrophobicContact CB-CD2 3.57Å; P325-W385 HydrophobicContact CB-CE3 4.06Å; P325-W385 HydrophobicContact CB-CG 3.85Å; P325-W385 HydrophobicContact CB-CH2 4.49Å; P325-W385 HydrophobicContact CB-CZ2 4.08Å; P325-W385 HydrophobicContact CB-CZ3 4.49Å; P325-W385 HydrophobicContact CG-CD2 3.49Å; P325-W385 VanDerWaalsContact CG-CD2 3.49Å; P325-W385 HydrophobicContact CG-CE3 3.42Å; P325-W385 VanDerWaalsContact CG-CE3 3.42Å; P325-W385 HydrophobicContact CG-CG 4.18Å; P325-W385 HydrophobicContact CG-CH2 3.88Å; P325-W385 HydrophobicContact CG-CZ2 3.98Å; P325-W385 HydrophobicContact CG-CZ3 3.62Å; P325-L388 HydrophobicContact CG-CB 4.42Å; P325-L388 HydrophobicContact CG-CD2 3.74Å
326M90.1Very high84.5Confident0 Ų028.9 Ų28.90%018%0.177CC..G310 helixtrans-64.4-27.6179.3-67.9-57.9104.500112.6D177 C213 A215 Q324 Q328 V330 L331 I381D177-M326 HydrophobicContact CB-CB 3.43Å; D177-M326 VanDerWaalsContact CB-CB 3.43Å; D177-M326 HydrophobicContact CB-CG 4.28Å; C213-M326 HydrophobicContact CB-SD 4.45Å; A215-M326 HydrophobicContact CB-CE 4.38Å; Q324-M326 PolarHBondContact O-N 3.44Å; M326-Q328 VanDerWaalsContact C-N 3.34Å; M326-V330 HydrophobicContact CE-CG2 4.22Å; M326-V330 WeakPolarHBondContact O-CB 3.15Å; M326-V330 HydrophobicContact SD-CB 4.25Å; M326-V330 HydrophobicContact SD-CG1 3.91Å; M326-V330 HydrophobicContact SD-CG2 4.41Å; M326-L331 WeakPolarHBondContact O-CG 3.33Å; M326-L331 PolarHBondContact O-N 3.22Å; M326-L331 VanDerWaalsContact O-N 3.14Å; M326-I381 HydrophobicContact CE-CG2 4.08Å
327S86.2Confident84.8Confident39 Ų3928.2 Ų28.227%0.27317%0.17SC..G310 helixtrans-80.1-11.6173.7-290000113.4D177 T320 Q324 P325 G329D177-S327 WeakPolarHBondContact OD2-CB 3.03Å; D177-S327 PolarHBondContact OD2-OG 3.02Å; T320-S327 WeakPolarHBondContact CG2-OG 3.31Å; Q324-S327 WeakPolarHBondContact CB-OG 3.49Å; Q324-S327 WeakPolarHBondContact CG-OG 3.49Å; Q324-S327 WeakPolarHBondContact O-CB 3.46Å; Q324-S327 PolarHBondContact O-N 3.03Å; P325-S327 PolarHBondContact O-N 3.17Å; S327-G329 PolarHBondContact O-N 3.22Å
328Q85.5Confident85.5Confident42 Ų4223.7 Ų23.720%0.19614%0.141CC..THydrogen-bonded Turntrans-82.344.8177.2-58.7-52.4-49.200112.5S321 L322 Q324 P325 M326 A384 K387S321-Q328 PolarHBondContact O-NE2 3.46Å; L322-Q328 VanDerWaalsContact C-NE2 3.31Å; L322-Q328 PolarHBondContact O-NE2 3.03Å; Q324-Q328 WeakPolarHBondContact O-CG 3.49Å; Q324-Q328 PolarHBondContact O-N 3.35Å; P325-Q328 WeakPolarHBondContact O-CB 3.45Å; P325-Q328 PolarHBondContact O-N 3.33Å; M326-Q328 VanDerWaalsContact C-N 3.34Å; Q328-A384 HydrophobicContact CB-CB 4Å; Q328-K387 HydrophobicContact CG-CD 4.37Å
329G82.8Confident86.1Confident29 Ų2919.1 Ų19.130%0.29912%0.116SC..THydrogen-bonded Turntrans102.5-19.317300000115.5S327 L331 A332 T333S327-G329 PolarHBondContact O-N 3.22Å; G329-L331 PolarHBondContact O-N 2.95Å; G329-A332 PolarHBondContact O-N 3.35Å; G329-T333 PolarHBondContact O-N 3.18Å; G329-T333 PolarHBondContact O-OG1 2.8Å
330V89.2Confident86.2Confident0 Ų019.4 Ų19.40%012%0.118CC..Hα-helixtrans-59.8-51.9-179.9-179.60000111.4M326 A332 T333 V334 W373 V376 I381 A384M326-V330 HydrophobicContact CE-CG2 4.22Å; M326-V330 WeakPolarHBondContact O-CB 3.15Å; M326-V330 HydrophobicContact SD-CB 4.25Å; M326-V330 HydrophobicContact SD-CG1 3.91Å; M326-V330 HydrophobicContact SD-CG2 4.41Å; V330-A332 VanDerWaalsContact C-N 3.27Å; V330-A332 PolarHBondContact O-N 3.23Å; V330-T333 WeakPolarHBondContact O-CB 3.42Å; V330-T333 PolarHBondContact O-N 3.28Å; V330-V334 WeakPolarHBondContact O-CG2 3.43Å; V330-V334 PolarHBondContact O-N 2.89Å; V330-W373 HydrophobicContact CG1-CH2 4.23Å; V330-W373 HydrophobicContact CG1-CZ3 3.69Å; V330-V376 HydrophobicContact CG1-CG1 4.31Å; V330-I381 HydrophobicContact CG1-CG1 4.39Å; V330-I381 HydrophobicContact CG2-CG1 4.22Å; V330-A384 HydrophobicContact CG2-CB 3.59Å
331L87.1Confident86.5Confident13 Ų1318.2 Ų18.27%0.06811%0.112CC..Hα-helixtrans-61.4-35.6177.9-69.3172.1000112.6D177 T179 C213 M326 G329 K335D177-L331 HydrophobicContact CB-CD1 3.89Å; D177-L331 WeakPolarHBondContact OD2-CD1 3.38Å; T179-L331 HydrophobicContact CG2-CB 4.37Å; T179-L331 HydrophobicContact CG2-CD2 3.91Å; C213-L331 HydrophobicContact CB-CD2 4.04Å; M326-L331 WeakPolarHBondContact O-CG 3.33Å; M326-L331 PolarHBondContact O-N 3.22Å; M326-L331 VanDerWaalsContact O-N 3.14Å; G329-L331 PolarHBondContact O-N 2.95Å; L331-K335 WeakPolarHBondContact O-CG 3.46Å; L331-K335 PolarHBondContact O-N 3.34Å
332A84.4Confident86.8Confident48 Ų4816.7 Ų16.740%0.39710%0.102SC..Hα-helixtrans-66.1-45.417600000110.9G329 V330 V334 K335 R336G329-A332 PolarHBondContact O-N 3.35Å; V330-A332 VanDerWaalsContact C-N 3.27Å; V330-A332 PolarHBondContact O-N 3.23Å; A332-V334 PolarHBondContact O-N 2.97Å; A332-K335 PolarHBondContact O-N 2.92Å; A332-K335 VanDerWaalsContact O-N 3.14Å; A332-R336 WeakPolarHBondContact O-CG 3.36Å; A332-R336 PolarHBondContact O-N 2.89Å
333T87.7Confident86.6Confident29 Ų2915.2 Ų15.218%0.1789%0.094CC..Hα-helixtrans-59.3-42.9176.7-59.80000112G329 V330 K335 R336 Y337 V376G329-T333 PolarHBondContact O-N 3.18Å; G329-T333 PolarHBondContact O-OG1 2.8Å; V330-T333 WeakPolarHBondContact O-CB 3.42Å; V330-T333 PolarHBondContact O-N 3.28Å; T333-K335 VanDerWaalsContact C-N 3.33Å; T333-K335 PolarHBondContact O-N 3.34Å; T333-R336 PolarHBondContact O-N 3.25Å; T333-Y337 HydrophobicContact CG2-CD2 3.72Å; T333-Y337 HydrophobicContact CG2-CE2 3.42Å; T333-Y337 VanDerWaalsContact CG2-CE2 3.42Å; T333-Y337 WeakPolarHBondContact O-CD2 3.37Å; T333-Y337 PolarHBondContact O-N 2.81Å; T333-V376 HydrophobicContact CG2-CG2 4.24Å
334V90.8Very high86.2Confident0 Ų018.1 Ų18.10%011%0.107CC..Hα-helixtrans-57.5-46.2174.5174.70000111.2I211 V330 A332 R336 Y337 Y338 V369 A372 W373 V376I211-V334 HydrophobicContact CD1-CG1 3.98Å; V330-V334 WeakPolarHBondContact O-CG2 3.43Å; V330-V334 PolarHBondContact O-N 2.89Å; A332-V334 PolarHBondContact O-N 2.97Å; V334-R336 VanDerWaalsContact C-N 3.34Å; V334-R336 PolarHBondContact O-N 3.08Å; V334-Y337 PolarHBondContact O-N 2.94Å; V334-Y338 WeakPolarHBondContact O-CB 3.42Å; V334-Y338 PolarHBondContact O-N 2.95Å; V334-V369 HydrophobicContact CG1-CG2 4.02Å; V334-A372 HydrophobicContact CG1-CB 4.43Å; V334-W373 HydrophobicContact CG2-CE3 3.58Å; V334-W373 HydrophobicContact CG2-CZ3 4.11Å; V334-V376 HydrophobicContact CG2-CG2 3.59Å
335K86.6Confident85.9Confident9 Ų921.2 Ų21.24%0.03912%0.121CC..Hα-helixtrans-65-37.1178.5-67.8-173.7-171.2-171.70112.7T179 G180 L181 L331 A332 T333 Y338 R339 D438T179-K335 WeakPolarHBondContact OG1-CE 3.29Å; T179-K335 PolarHBondContact OG1-NZ 3Å; G180-K335 WeakPolarHBondContact O-CE 3.3Å; G180-K335 PolarHBondContact O-NZ 3.48Å; L181-K335 HydrophobicContact CD1-CG 4.03Å; L331-K335 WeakPolarHBondContact O-CG 3.46Å; L331-K335 PolarHBondContact O-N 3.34Å; A332-K335 PolarHBondContact O-N 2.92Å; A332-K335 VanDerWaalsContact O-N 3.14Å; T333-K335 VanDerWaalsContact C-N 3.33Å; T333-K335 PolarHBondContact O-N 3.34Å; K335-Y338 PolarHBondContact O-N 3.21Å; K335-R339 WeakPolarHBondContact O-CB 3.14Å; K335-R339 VanDerWaalsContact O-CG 3.3Å; K335-R339 WeakPolarHBondContact O-CG 3.38Å; K335-R339 PolarHBondContact O-N 3.01Å; K335-D438 WeakPolarHBondContact CD-OD2 3.37Å; K335-D438 IonicContact NZ-OD1 2.96Å; K335-D438 PolarHBondContact NZ-OD1 2.72Å; K335-D438 IonicContact NZ-OD2 3.91Å; K335-D438 PolarHBondContact NZ-OD2 3.16Å
336R84.6Confident85.3Confident55 Ų5522.4 Ų22.421%0.20813%0.125CC..Hα-helixtrans-63.2-48.9175.1-68.9-171.4-178.3173.9-5110.9A332 T333 V334 Y338 R339 A340 F432 D433A332-R336 WeakPolarHBondContact O-CG 3.36Å; A332-R336 PolarHBondContact O-N 2.89Å; T333-R336 PolarHBondContact O-N 3.25Å; V334-R336 VanDerWaalsContact C-N 3.34Å; V334-R336 PolarHBondContact O-N 3.08Å; R336-Y338 VanDerWaalsContact C-N 3.32Å; R336-Y338 PolarHBondContact O-N 2.92Å; R336-R339 PolarHBondContact O-N 2.92Å; R336-A340 WeakPolarHBondContact O-CB 3.23Å; R336-A340 PolarHBondContact O-N 3.18Å; R336-F432 HydrophobicContact CB-CG 4.41Å; R336-F432 HydrophobicContact CG-CB 3.91Å; R336-F432 HydrophobicContact CG-CD2 4.36Å; R336-F432 HydrophobicContact CG-CG 4.09Å; R336-D433 IonicContact CZ-OD1 2.71Å; R336-D433 IonicContact NE-OD1 3.67Å; R336-D433 PolarHBondContact NE-OD1 2.95Å; R336-D433 VanDerWaalsContact NE-OD1 3.15Å; R336-D433 VanDerWaalsContact NH2-CG 3.28Å; R336-D433 IonicContact NH2-OD1 2.93Å; R336-D433 PolarHBondContact NH2-OD1 3.39Å; R336-D433 IonicContact NH2-OD2 3.31Å; R336-D433 PolarHBondContact NH2-OD2 3.35Å; R336-D433 VanDerWaalsContact NH2-OD2 3.09Å
337Y88.6Confident84.4Confident20 Ų2024 Ų248%0.07813%0.133CC..Hα-helixtrans-61.3-39.7176.3-77.5-47.2000113T333 V334 A340 G341 M375 V376 E402 L406T333-Y337 HydrophobicContact CG2-CD2 3.72Å; T333-Y337 HydrophobicContact CG2-CE2 3.42Å; T333-Y337 VanDerWaalsContact CG2-CE2 3.42Å; T333-Y337 WeakPolarHBondContact O-CD2 3.37Å; T333-Y337 PolarHBondContact O-N 2.81Å; V334-Y337 PolarHBondContact O-N 2.94Å; Y337-A340 PolarHBondContact O-N 2.94Å; Y337-G341 PolarHBondContact O-N 3.21Å; Y337-M375 HydrophobicContact CD1-CB 4.44Å; Y337-M375 HydrophobicContact CD1-CE 3.8Å; Y337-M375 HydrophobicContact CD1-SD 4.19Å; Y337-M375 HydrophobicContact CD2-CB 3.97Å; Y337-M375 HydrophobicContact CE1-CE 3.79Å; Y337-M375 HydrophobicContact CE2-CB 4.05Å; Y337-M375 HydrophobicContact CG-CB 4.2Å; Y337-M375 HydrophobicContact CG-SD 4.46Å; Y337-V376 HydrophobicContact CD2-CG2 4.23Å; Y337-V376 HydrophobicContact CE2-CG2 4.43Å; Y337-E402 PolarHBondContact OH-OE2 2.8Å; Y337-L406 HydrophobicContact CD1-CD2 3.59Å; Y337-L406 HydrophobicContact CE1-CD2 3.82Å
338Y90.3Very high84Confident0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-60.7-49.3174.7174.7-94.5000112L181 W183 V334 K335 R336 G341 L342 A365 E368 V369L181-Y338 HydrophobicContact CD1-CD1 3.79Å; L181-Y338 HydrophobicContact CD1-CE1 4.17Å; L181-Y338 HydrophobicContact CD1-CG 4.17Å; L181-Y338 HydrophobicContact CD2-CD1 4.21Å; L181-Y338 HydrophobicContact CD2-CD2 4.03Å; L181-Y338 HydrophobicContact CD2-CE1 4.17Å; L181-Y338 HydrophobicContact CD2-CE2 3.99Å; L181-Y338 HydrophobicContact CD2-CG 4.14Å; L181-Y338 HydrophobicContact CG-CD1 4.39Å; L181-Y338 HydrophobicContact CG-CE1 4.34Å; W183-Y338 VanDerWaalsContact CA-OH 3.24Å; W183-Y338 WeakPolarHBondContact CA-OH 3.47Å; W183-Y338 VanDerWaalsContact CB-OH 3.31Å; W183-Y338 WeakPolarHBondContact CB-OH 2.99Å; W183-Y338 PolarHBondContact O-OH 3.06Å; V334-Y338 WeakPolarHBondContact O-CB 3.42Å; V334-Y338 PolarHBondContact O-N 2.95Å; K335-Y338 PolarHBondContact O-N 3.21Å; R336-Y338 VanDerWaalsContact C-N 3.32Å; R336-Y338 PolarHBondContact O-N 2.92Å; Y338-G341 PolarHBondContact O-N 3Å; Y338-L342 HydrophobicContact CE1-CD2 4.34Å; Y338-L342 WeakPolarHBondContact O-CB 3.38Å; Y338-L342 PolarHBondContact O-N 3.38Å; Y338-A365 HydrophobicContact CE2-CB 4.34Å; Y338-E368 HydrophobicContact CD2-CB 4.07Å; Y338-E368 HydrophobicContact CD2-CG 3.71Å; Y338-E368 HydrophobicContact CE2-CB 3.86Å; Y338-E368 HydrophobicContact CE2-CG 3.8Å; Y338-V369 HydrophobicContact CD2-CB 3.87Å; Y338-V369 HydrophobicContact CD2-CG2 4.41Å; Y338-V369 HydrophobicContact CE2-CB 4.31Å
339R85.4Confident83.6Confident5 Ų529.4 Ų29.42%0.01916%0.158CC..Hα-helixtrans-61.6-44.9178.8-79.9179.1-167.9125.62.3111.6K335 R336 G341 L342 L343 W431 F432 D438K335-R339 WeakPolarHBondContact O-CB 3.14Å; K335-R339 VanDerWaalsContact O-CG 3.3Å; K335-R339 WeakPolarHBondContact O-CG 3.38Å; K335-R339 PolarHBondContact O-N 3.01Å; R336-R339 PolarHBondContact O-N 2.92Å; R339-G341 PolarHBondContact O-N 2.89Å; R339-L342 PolarHBondContact O-N 3.31Å; R339-L343 WeakPolarHBondContact O-CB 3.17Å; R339-L343 PolarHBondContact O-N 3.11Å; R339-W431 HydrophobicContact CB-CE3 4.44Å; R339-W431 HydrophobicContact CB-CH2 3.44Å; R339-W431 VanDerWaalsContact CB-CH2 3.44Å; R339-W431 HydrophobicContact CB-CZ2 3.83Å; R339-W431 HydrophobicContact CB-CZ3 3.76Å; R339-W431 HydrophobicContact CG-CH2 4.01Å; R339-W431 HydrophobicContact CG-CZ2 3.85Å; R339-W431 VanDerWaalsContact O-CH2 3.29Å; R339-W431 WeakPolarHBondContact O-CH2 3.49Å; R339-F432 HydrophobicContact CB-CD1 4.07Å; R339-F432 HydrophobicContact CB-CE1 4.01Å; R339-F432 PolarHBondContact NH1-O 3.12Å; R339-D438 IonicContact NH2-OD2 3.16Å
340A82.1Confident83Confident6 Ų631.3 Ų31.35%0.0518%0.177CC..Hα-helixtrans-57.8-47.6175.600000112.5R336 Y337 L343 Q344 L406 L410 F432R336-A340 WeakPolarHBondContact O-CB 3.23Å; R336-A340 PolarHBondContact O-N 3.18Å; Y337-A340 PolarHBondContact O-N 2.94Å; A340-L343 PolarHBondContact O-N 3.04Å; A340-Q344 PolarHBondContact O-N 3.31Å; A340-L406 HydrophobicContact CB-CD1 3.95Å; A340-L406 HydrophobicContact CB-CD2 3.5Å; A340-L406 VanDerWaalsContact CB-CD2 3.5Å; A340-L406 HydrophobicContact CB-CG 3.82Å; A340-L410 HydrophobicContact CB-CD1 3.7Å; A340-F432 HydrophobicContact CB-CE1 4.27Å; A340-F432 HydrophobicContact CB-CZ 3.98Å
341G85.3Confident82.2Confident7 Ų733.6 Ų33.67%0.07219%0.189CC..Hα-helixtrans-67.6-35.7178.100000113.4Y337 Y338 R339 L343 Q344 K345 E368 R371Y337-G341 PolarHBondContact O-N 3.21Å; Y338-G341 PolarHBondContact O-N 3Å; R339-G341 PolarHBondContact O-N 2.89Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-Q344 PolarHBondContact O-N 3.02Å; G341-K345 WeakPolarHBondContact O-CB 3.38Å; G341-K345 PolarHBondContact O-N 2.99Å; G341-E368 WeakPolarHBondContact CA-OE1 3.34Å; G341-R371 VanDerWaalsContact CA-NH2 3.31Å
342L84.4Confident81.4Confident3 Ų336.7 Ų36.72%0.01621%0.205CC..Hα-helixtrans-63.9-41.2174.3-173.765.5000111.9C185 L186 Y338 R339 Y346 F356 W357 L360C185-L342 WeakPolarHBondContact O-CD2 3.48Å; L186-L342 HydrophobicContact CD2-CD2 4.18Å; L186-L342 HydrophobicContact CD2-CG 4.01Å; L186-L342 HydrophobicContact CG-CD2 4.47Å; Y338-L342 HydrophobicContact CE1-CD2 4.34Å; Y338-L342 WeakPolarHBondContact O-CB 3.38Å; Y338-L342 PolarHBondContact O-N 3.38Å; R339-L342 PolarHBondContact O-N 3.31Å; L342-Y346 PolarHBondContact O-N 3.19Å; L342-F356 HydrophobicContact CD1-CE1 3.78Å; L342-F356 HydrophobicContact CD1-CZ 3.77Å; L342-F356 HydrophobicContact CG-CE1 4.23Å; L342-F356 HydrophobicContact CG-CZ 4.43Å; L342-W357 HydrophobicContact CD2-CH2 4.5Å; L342-L360 HydrophobicContact CD1-CD1 3.72Å; L342-L360 HydrophobicContact CD1-CD2 3.67Å; L342-L360 HydrophobicContact CD1-CG 4.36Å; L342-L360 HydrophobicContact CD2-CD2 4.33Å
343L78.4Confident80.7Confident7 Ų736 Ų364%0.03720%0.197CC..Hα-helixtrans-66.5-43.3176.1179.961.5000111.3R339 A340 G341 K345 Y346 M347 L410 L414 W431R339-L343 WeakPolarHBondContact O-CB 3.17Å; R339-L343 PolarHBondContact O-N 3.11Å; A340-L343 PolarHBondContact O-N 3.04Å; G341-L343 VanDerWaalsContact C-N 3.34Å; L343-K345 PolarHBondContact O-N 2.84Å; L343-Y346 HydrophobicContact CD1-CD1 4.33Å; L343-Y346 WeakPolarHBondContact O-CB 3.49Å; L343-Y346 PolarHBondContact O-N 3.02Å; L343-M347 HydrophobicContact CG-CE 4.45Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 2.88Å; L343-L410 HydrophobicContact CD2-CB 4.49Å; L343-L410 HydrophobicContact CD2-CD1 4.25Å; L343-L410 HydrophobicContact CD2-CD2 4.16Å; L343-L414 HydrophobicContact CD2-CD1 3.89Å; L343-W431 HydrophobicContact CB-CH2 4.14Å; L343-W431 HydrophobicContact CB-CZ3 4.35Å; L343-W431 HydrophobicContact CD2-CZ3 4.13Å
344Q80.1Confident79.9Confident69 Ų6941.5 Ų41.532%0.32222%0.218SC..Hα-helixtrans-58.3-48.5174.7-171.364.352.700111.3A340 G341 Y346 M347 D348A340-Q344 PolarHBondContact O-N 3.31Å; G341-Q344 PolarHBondContact O-N 3.02Å; Q344-Y346 VanDerWaalsContact C-N 3.26Å; Q344-Y346 PolarHBondContact O-N 3.27Å; Q344-M347 HydrophobicContact CB-CE 4.46Å; Q344-M347 PolarHBondContact O-N 3.19Å; Q344-M347 VanDerWaalsContact O-N 3.08Å; Q344-D348 PolarHBondContact NE2-OD1 3.22Å; Q344-D348 PolarHBondContact O-N 3.4Å
345K83.1Confident79.2Confident65 Ų6545.6 Ų45.628%0.28324%0.239SC..Hα-helixtrans-57.7-39.7177-172.5180176.5175.60112.3G341 L343 E349 F356 D364G341-K345 WeakPolarHBondContact O-CB 3.38Å; G341-K345 PolarHBondContact O-N 2.99Å; L343-K345 PolarHBondContact O-N 2.84Å; K345-E349 WeakPolarHBondContact CE-OE1 3.41Å; K345-E349 WeakPolarHBondContact O-CG 3.36Å; K345-E349 PolarHBondContact O-N 3.38Å; K345-E349 VanDerWaalsContact O-N 3.1Å; K345-F356 HydrophobicContact CB-CE2 4.48Å; K345-F356 HydrophobicContact CB-CZ 4.41Å; K345-F356 HydrophobicContact CD-CE2 4.43Å; K345-F356 HydrophobicContact CD-CZ 4.49Å; K345-F356 HydrophobicContact CG-CE2 4.09Å; K345-F356 HydrophobicContact CG-CZ 4.37Å; K345-D364 IonicContact NZ-OD1 2.69Å; K345-D364 PolarHBondContact NZ-OD1 3.39Å
346Y78.1Confident78.8Confident24 Ų2445.2 Ų45.29%0.09424%0.238CC..Hα-helixtrans-63.4-45.6175.2167.5-100.1000112L186 L191 L342 L343 Q344 D348 E349 G350 I351 P353 F356L186-Y346 HydrophobicContact CD1-CD2 4.21Å; L186-Y346 HydrophobicContact CD1-CG 4.36Å; L191-Y346 HydrophobicContact CD1-CE1 4.17Å; L342-Y346 PolarHBondContact O-N 3.19Å; L343-Y346 HydrophobicContact CD1-CD1 4.33Å; L343-Y346 WeakPolarHBondContact O-CB 3.49Å; L343-Y346 PolarHBondContact O-N 3.02Å; Q344-Y346 VanDerWaalsContact C-N 3.26Å; Q344-Y346 PolarHBondContact O-N 3.27Å; Y346-D348 VanDerWaalsContact C-N 3.34Å; Y346-E349 PolarHBondContact O-N 3.21Å; Y346-G350 PolarHBondContact O-N 3.25Å; Y346-I351 WeakPolarHBondContact CE2-O 3.28Å; Y346-P353 HydrophobicContact CE2-CB 4.32Å; Y346-P353 HydrophobicContact CE2-CG 4.01Å; Y346-P353 WeakPolarHBondContact OH-CD 3.3Å; Y346-P353 WeakPolarHBondContact OH-CG 3.38Å; Y346-F356 HydrophobicContact CD2-CB 3.92Å; Y346-F356 HydrophobicContact CD2-CD1 4.04Å; Y346-F356 HydrophobicContact CD2-CD2 4.05Å; Y346-F356 AromaticContact CD2-CG 3.74Å; Y346-F356 HydrophobicContact CD2-CG 3.74Å; Y346-F356 HydrophobicContact CE2-CB 4.36Å
347M72.7Confident78.4Confident34 Ų3444.6 Ų44.617%0.16724%0.235CC..Hα-helixtrans-63.2-41.1177.8-67.1-174-59.600111.8L343 Q344 G350 L410 V413 L414L343-M347 HydrophobicContact CG-CE 4.45Å; L343-M347 WeakPolarHBondContact O-CG 3.38Å; L343-M347 PolarHBondContact O-N 2.88Å; Q344-M347 HydrophobicContact CB-CE 4.46Å; Q344-M347 PolarHBondContact O-N 3.19Å; Q344-M347 VanDerWaalsContact O-N 3.08Å; M347-G350 PolarHBondContact O-N 3.44Å; M347-L410 HydrophobicContact CE-CD2 3.86Å; M347-V413 HydrophobicContact CE-CB 4.29Å; M347-V413 HydrophobicContact CE-CG1 3.66Å; M347-V413 HydrophobicContact SD-CB 4.41Å; M347-V413 HydrophobicContact SD-CG1 3.62Å; M347-L414 HydrophobicContact CG-CD2 4.18Å; M347-L414 HydrophobicContact SD-CD2 3.43Å; M347-L414 WeakPolarHBondContact SD-CD2 3.44Å; M347-L414 HydrophobicContact SD-CG 3.84Å
348D76.6Confident78Confident117 Ų11751.9 Ų51.963%0.62627%0.268SS*.Hα-helixtrans-67.8-34.5-179.7-61.1-18.5000112.1Q344 Y346Q344-D348 PolarHBondContact NE2-OD1 3.22Å; Q344-D348 PolarHBondContact O-N 3.4Å; Y346-D348 VanDerWaalsContact C-N 3.34Å
349E78.3Confident77.7Confident78 Ų7856.5 Ų56.536%0.36429%0.292SS..Hα-helixtrans-76.6-25.4177.3-73.5-178.5-152.300112.8K345 Y346 I351K345-E349 WeakPolarHBondContact CE-OE1 3.41Å; K345-E349 WeakPolarHBondContact O-CG 3.36Å; K345-E349 PolarHBondContact O-N 3.38Å; K345-E349 VanDerWaalsContact O-N 3.1Å; Y346-E349 PolarHBondContact O-N 3.21Å; E349-I351 HydrophobicContact CB-CD1 4.26Å; E349-I351 HydrophobicContact CB-CG1 3.98Å; E349-I351 WeakPolarHBondContact O-CG2 3.14Å; E349-I351 PolarHBondContact O-N 3.25Å; E349-I351 VanDerWaalsContact O-N 3.1Å; E349-I351 WeakPolarHBondContact OE2-CD1 3.07Å
350G68.6Low77.6Confident68 Ų6856.7 Ų56.770%0.70129%0.293SS*.THydrogen-bonded Turntrans59.822.2175.800000115Y346 M347Y346-G350 PolarHBondContact O-N 3.25Å; M347-G350 PolarHBondContact O-N 3.44Å
351I73.3Confident78Confident49 Ų4958.6 Ų58.625%0.25130%0.304SS..  trans-100.2158.2-176.557.7175.8000112.3Y346 E349 I355 F356Y346-I351 WeakPolarHBondContact CE2-O 3.28Å; E349-I351 HydrophobicContact CB-CD1 4.26Å; E349-I351 HydrophobicContact CB-CG1 3.98Å; E349-I351 WeakPolarHBondContact O-CG2 3.14Å; E349-I351 PolarHBondContact O-N 3.25Å; E349-I351 VanDerWaalsContact O-N 3.1Å; E349-I351 WeakPolarHBondContact OE2-CD1 3.07Å; I351-I355 HydrophobicContact CD1-CB 4.42Å; I351-I355 HydrophobicContact CD1-CG2 4.09Å; I351-F356 HydrophobicContact CD1-CB 3.85Å; I351-F356 HydrophobicContact CD1-CD2 4.14Å; I351-F356 HydrophobicContact CG1-CB 3.96Å; I351-F356 HydrophobicContact CG1-CD2 4.36Å
352D70.9Confident78.2Confident77 Ų7759 Ų5941%0.41231%0.305SS..  trans-52137173.7169.5-91.7000111.8K354 I355 F356D352-K354 PolarHBondContact O-N 3.09Å; D352-K354 VanDerWaalsContact O-N 3.09Å; D352-K354 WeakPolarHBondContact OD1-CA 3.18Å; D352-K354 WeakPolarHBondContact OD1-CB 3.49Å; D352-K354 PolarHBondContact OD1-N 3.03Å; D352-I355 HydrophobicContact CB-CD1 4.12Å; D352-I355 HydrophobicContact CB-CG1 4.15Å; D352-I355 WeakPolarHBondContact O-CB 3.41Å; D352-I355 PolarHBondContact O-N 3.14Å; D352-I355 PolarHBondContact OD1-N 3.04Å; D352-F356 PolarHBondContact O-N 3.14Å
353P68.6Low78.5Confident33 Ų3360.2 Ų60.221%0.21431%0.312CS..Hα-helixtrans-51.2-38.3-179.2-29.232.6000114.1L191 Y346 I355 F356 W357L191-P353 HydrophobicContact CD1-CG 3.81Å; Y346-P353 HydrophobicContact CE2-CB 4.32Å; Y346-P353 HydrophobicContact CE2-CG 4.01Å; Y346-P353 WeakPolarHBondContact OH-CD 3.3Å; Y346-P353 WeakPolarHBondContact OH-CG 3.38Å; P353-I355 VanDerWaalsContact C-N 3.33Å; P353-I355 PolarHBondContact O-N 3.19Å; P353-F356 PolarHBondContact O-N 2.74Å; P353-W357 WeakPolarHBondContact O-CB 3.44Å; P353-W357 VanDerWaalsContact O-CG 3.27Å; P353-W357 PolarHBondContact O-N 3.01Å
354K70.8Confident79.1Confident145 Ų14562.2 Ų62.263%0.6332%0.323SS*.Hα-helixtrans-69.8-33.3-178.9-54.9171.8180164.40111.1D352 K358D352-K354 PolarHBondContact O-N 3.09Å; D352-K354 VanDerWaalsContact O-N 3.09Å; D352-K354 WeakPolarHBondContact OD1-CA 3.18Å; D352-K354 WeakPolarHBondContact OD1-CB 3.49Å; D352-K354 PolarHBondContact OD1-N 3.03Å; K354-K358 WeakPolarHBondContact O-CG 3.4Å; K354-K358 PolarHBondContact O-N 2.8Å
355I75.9Confident79.7Confident86 Ų8659 Ų5944%0.44131%0.307SS..Hα-helixtrans-71-48.1175.6-58.1178.8000109.4I351 D352 P353 W357 K358 N359I351-I355 HydrophobicContact CD1-CB 4.42Å; I351-I355 HydrophobicContact CD1-CG2 4.09Å; D352-I355 HydrophobicContact CB-CD1 4.12Å; D352-I355 HydrophobicContact CB-CG1 4.15Å; D352-I355 WeakPolarHBondContact O-CB 3.41Å; D352-I355 PolarHBondContact O-N 3.14Å; D352-I355 PolarHBondContact OD1-N 3.04Å; P353-I355 VanDerWaalsContact C-N 3.33Å; P353-I355 PolarHBondContact O-N 3.19Å; I355-W357 PolarHBondContact O-N 3.02Å; I355-K358 PolarHBondContact O-N 3.39Å; I355-N359 PolarHBondContact O-N 2.95Å
356F79.6Confident80.2Confident1 Ų155.9 Ų55.90%0.00429%0.294CS..Hα-helixtrans-53.1-45.7174-175.7-99000111.5L186 L342 K345 Y346 I351 D352 P353 K358 N359 L360L186-F356 HydrophobicContact CD1-CD1 3.66Å; L186-F356 HydrophobicContact CD1-CE1 3.93Å; L186-F356 HydrophobicContact CD2-CE1 4.28Å; L186-F356 HydrophobicContact CG-CE1 4.36Å; L342-F356 HydrophobicContact CD1-CE1 3.78Å; L342-F356 HydrophobicContact CD1-CZ 3.77Å; L342-F356 HydrophobicContact CG-CE1 4.23Å; L342-F356 HydrophobicContact CG-CZ 4.43Å; K345-F356 HydrophobicContact CB-CE2 4.48Å; K345-F356 HydrophobicContact CB-CZ 4.41Å; K345-F356 HydrophobicContact CD-CE2 4.43Å; K345-F356 HydrophobicContact CD-CZ 4.49Å; K345-F356 HydrophobicContact CG-CE2 4.09Å; K345-F356 HydrophobicContact CG-CZ 4.37Å; Y346-F356 HydrophobicContact CD2-CB 3.92Å; Y346-F356 HydrophobicContact CD2-CD1 4.04Å; Y346-F356 HydrophobicContact CD2-CD2 4.05Å; Y346-F356 AromaticContact CD2-CG 3.74Å; Y346-F356 HydrophobicContact CD2-CG 3.74Å; Y346-F356 HydrophobicContact CE2-CB 4.36Å; I351-F356 HydrophobicContact CD1-CB 3.85Å; I351-F356 HydrophobicContact CD1-CD2 4.14Å; I351-F356 HydrophobicContact CG1-CB 3.96Å; I351-F356 HydrophobicContact CG1-CD2 4.36Å; D352-F356 PolarHBondContact O-N 3.14Å; P353-F356 PolarHBondContact O-N 2.74Å; F356-K358 VanDerWaalsContact C-N 3.31Å; F356-K358 PolarHBondContact O-N 3.44Å; F356-N359 PolarHBondContact O-N 3.16Å; F356-L360 PolarHBondContact O-N 3.17Å
357W76.3Confident81Confident43 Ų4360.3 Ų60.316%0.16331%0.311CS..Hα-helixtrans-60.2-37.5178.3-83.3125.9000114.9K184 C185 L186 L342 P353 I355 L360K184-W357 HydrophobicContact CB-CE3 3.72Å; K184-W357 HydrophobicContact CB-CH2 4.04Å; K184-W357 HydrophobicContact CB-CZ3 3.38Å; K184-W357 HydrophobicContact CD-CE3 4.23Å; K184-W357 HydrophobicContact CG-CE3 3.75Å; K184-W357 HydrophobicContact CG-CZ3 3.7Å; K184-W357 WeakPolarHBondContact O-CH2 3.23Å; C185-W357 VanDerWaalsContact C-CH2 3.48Å; L186-W357 HydrophobicContact CB-CH2 3.85Å; L186-W357 HydrophobicContact CB-CZ2 3.35Å; L186-W357 HydrophobicContact CD1-CD2 4.48Å; L186-W357 HydrophobicContact CD1-CH2 4.12Å; L186-W357 HydrophobicContact CD1-CZ2 3.73Å; L186-W357 HydrophobicContact CG-CH2 3.56Å; L186-W357 HydrophobicContact CG-CZ2 3.44Å; L186-W357 VanDerWaalsContact CG-CZ2 3.44Å; L186-W357 HydrophobicContact CG-CZ3 4.42Å; L342-W357 HydrophobicContact CD2-CH2 4.5Å; P353-W357 WeakPolarHBondContact O-CB 3.44Å; P353-W357 VanDerWaalsContact O-CG 3.27Å; P353-W357 PolarHBondContact O-N 3.01Å; I355-W357 PolarHBondContact O-N 3.02Å; W357-L360 HydrophobicContact CE3-CD2 4.36Å; W357-L360 HydrophobicContact CZ3-CD2 3.87Å
358K79.3Confident82Confident173 Ų17360.2 Ų60.275%0.75231%0.311SS*.Hα-helixtrans-73-34178.9-76.5175.8-180179.40111.4K354 I355 F356K354-K358 WeakPolarHBondContact O-CG 3.4Å; K354-K358 PolarHBondContact O-N 2.8Å; I355-K358 PolarHBondContact O-N 3.39Å; F356-K358 VanDerWaalsContact C-N 3.31Å; F356-K358 PolarHBondContact O-N 3.44Å
359N83.3Confident82.9Confident96 Ų9654.6 Ų54.651%0.51328%0.281SS..Hα-helixtrans-81-28.8-178.3-67.7-9.4000112.5I355 F356 T361I355-N359 PolarHBondContact O-N 2.95Å; F356-N359 PolarHBondContact O-N 3.16Å; N359-T361 WeakPolarHBondContact O-CG2 3.14Å; N359-T361 PolarHBondContact O-N 2.84Å
360L85.1Confident83.7Confident9 Ų952 Ų525%0.04727%0.271CS..  trans-63.5118.8179.2-168.371.9000111.5W183 K184 L342 F356 W357 D364W183-L360 HydrophobicContact CE3-CD2 4.23Å; W183-L360 HydrophobicContact CE3-CG 4.43Å; W183-L360 HydrophobicContact CZ3-CD2 4.45Å; W183-L360 HydrophobicContact CZ3-CG 4.31Å; W183-L360 WeakPolarHBondContact CZ3-O 3.41Å; W183-L360 WeakPolarHBondContact O-CD2 3.44Å; K184-L360 HydrophobicContact CG-CD2 4.25Å; L342-L360 HydrophobicContact CD1-CD1 3.72Å; L342-L360 HydrophobicContact CD1-CD2 3.67Å; L342-L360 HydrophobicContact CD1-CG 4.36Å; L342-L360 HydrophobicContact CD2-CD2 4.33Å; F356-L360 PolarHBondContact O-N 3.17Å; W357-L360 HydrophobicContact CE3-CD2 4.36Å; W357-L360 HydrophobicContact CZ3-CD2 3.87Å; L360-D364 HydrophobicContact CD1-CB 3.79Å
361T89.8Confident85Confident46 Ų4653.5 Ų53.528%0.28226%0.256SS..  trans-102.9163.9178.376.50000112.3W183 A236 N359 L363 D364 A365W183-T361 VanDerWaalsContact CZ3-C 3.44Å; A236-T361 HydrophobicContact CB-CG2 4.26Å; N359-T361 WeakPolarHBondContact O-CG2 3.14Å; N359-T361 PolarHBondContact O-N 2.84Å; T361-L363 PolarHBondContact O-N 3.33Å; T361-L363 PolarHBondContact OG1-N 3.11Å; T361-D364 VanDerWaalsContact CB-OD2 3.32Å; T361-D364 WeakPolarHBondContact CB-OD2 3.43Å; T361-D364 PolarHBondContact N-OD2 2.99Å; T361-D364 WeakPolarHBondContact O-CB 3.49Å; T361-D364 PolarHBondContact O-N 3.23Å; T361-D364 PolarHBondContact OG1-N 3.46Å; T361-D364 PolarHBondContact OG1-OD2 3.42Å; T361-A365 PolarHBondContact O-N 3.26Å; T361-A365 VanDerWaalsContact O-N 3.13Å
362V89.1Confident86Confident15 Ų1551.1 Ų51.19%0.09124%0.244CC..Hα-helixtrans-64.3-24.2171.268.10000112.2W183 I209 P234 A236 F237 A365 I366W183-V362 HydrophobicContact CH2-CB 4.29Å; W183-V362 HydrophobicContact CZ2-CB 4.08Å; I209-V362 HydrophobicContact CG2-CG2 3.96Å; P234-V362 HydrophobicContact CB-CG1 3.63Å; P234-V362 HydrophobicContact CG-CG1 3.8Å; A236-V362 HydrophobicContact CB-CG1 4.08Å; F237-V362 HydrophobicContact CE1-CG1 3.94Å; V362-A365 PolarHBondContact O-N 2.93Å; V362-I366 HydrophobicContact CG2-CD1 4.44Å; V362-I366 VanDerWaalsContact O-CG1 3.32Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.14Å
363L90.8Very high87.2Confident29 Ų2948 Ų4815%0.15223%0.226CC..Hα-helixtrans-69.1-45.6175.2-173.762.4000110.2A236 F237 L245 T361 A365 I366 Y367A236-L363 HydrophobicContact CB-CB 4.14Å; F237-L363 HydrophobicContact CD1-CB 4.2Å; F237-L363 HydrophobicContact CD1-CD1 3.97Å; F237-L363 HydrophobicContact CE1-CB 4.13Å; F237-L363 HydrophobicContact CE1-CD1 3.87Å; L245-L363 HydrophobicContact CD2-CD1 3.58Å; T361-L363 PolarHBondContact O-N 3.33Å; T361-L363 PolarHBondContact OG1-N 3.11Å; L363-A365 VanDerWaalsContact C-N 3.26Å; L363-A365 PolarHBondContact O-N 3.48Å; L363-I366 WeakPolarHBondContact O-CB 3.43Å; L363-I366 PolarHBondContact O-N 2.78Å; L363-I366 VanDerWaalsContact O-N 3.08Å; L363-Y367 HydrophobicContact CD1-CD2 4.07Å; L363-Y367 HydrophobicContact CD1-CE2 3.69Å; L363-Y367 HydrophobicContact CG-CD2 4.09Å; L363-Y367 HydrophobicContact CG-CE2 3.95Å; L363-Y367 WeakPolarHBondContact O-CD2 3.48Å; L363-Y367 PolarHBondContact O-N 2.91Å; L363-Y367 VanDerWaalsContact O-N 3.08Å
364D91.1Very high88.5Confident50 Ų5050.1 Ų50.127%0.26724%0.242SC..Hα-helixtrans-55.6-45.4172.8-60.9-72000110.9K345 L360 T361 I366 Y367 E368K345-D364 IonicContact NZ-OD1 2.69Å; K345-D364 PolarHBondContact NZ-OD1 3.39Å; L360-D364 HydrophobicContact CD1-CB 3.79Å; T361-D364 VanDerWaalsContact CB-OD2 3.32Å; T361-D364 WeakPolarHBondContact CB-OD2 3.43Å; T361-D364 PolarHBondContact N-OD2 2.99Å; T361-D364 WeakPolarHBondContact O-CB 3.49Å; T361-D364 PolarHBondContact O-N 3.23Å; T361-D364 PolarHBondContact OG1-N 3.46Å; T361-D364 PolarHBondContact OG1-OD2 3.42Å; D364-I366 VanDerWaalsContact C-N 3.3Å; D364-I366 PolarHBondContact O-N 2.97Å; D364-Y367 PolarHBondContact O-N 2.99Å; D364-E368 VanDerWaalsContact O-CB 3.29Å; D364-E368 WeakPolarHBondContact O-CB 3.43Å; D364-E368 PolarHBondContact O-N 3.21Å
365A92Very high89.5Confident0 Ų046.6 Ų46.60%023%0.228CC..Hα-helixtrans-61-37.2177.600000113.2W183 Y338 T361 V362 L363 V369W183-A365 HydrophobicContact CB-CB 3.55Å; W183-A365 HydrophobicContact CD2-CB 4.13Å; W183-A365 HydrophobicContact CE3-CB 3.98Å; W183-A365 HydrophobicContact CG-CB 4Å; Y338-A365 HydrophobicContact CE2-CB 4.34Å; T361-A365 PolarHBondContact O-N 3.26Å; T361-A365 VanDerWaalsContact O-N 3.13Å; V362-A365 PolarHBondContact O-N 2.93Å; L363-A365 VanDerWaalsContact C-N 3.26Å; L363-A365 PolarHBondContact O-N 3.48Å; A365-V369 WeakPolarHBondContact O-CB 3.32Å; A365-V369 WeakPolarHBondContact O-CG1 3.35Å; A365-V369 PolarHBondContact O-N 3.04Å
366I94.1Very high90.3Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-66.6-46.2177.7-78.8166.7000111.4V227 F237 P246 V247 Y249 V362 L363 D364 E368 V369 S370V227-I366 HydrophobicContact CG1-CD1 4.5Å; V227-I366 HydrophobicContact CG1-CG1 4.22Å; F237-I366 HydrophobicContact CE1-CD1 3.87Å; F237-I366 HydrophobicContact CZ-CD1 3.46Å; F237-I366 VanDerWaalsContact CZ-CD1 3.46Å; P246-I366 HydrophobicContact CG-CG2 4.4Å; V247-I366 HydrophobicContact CB-CG2 4.4Å; V247-I366 HydrophobicContact CG1-CG2 4.06Å; V247-I366 HydrophobicContact CG2-CG1 4.49Å; V247-I366 HydrophobicContact CG2-CG2 3.45Å; V247-I366 VanDerWaalsContact CG2-CG2 3.45Å; Y249-I366 HydrophobicContact CD2-CD1 3.81Å; Y249-I366 HydrophobicContact CE2-CD1 4.02Å; V362-I366 HydrophobicContact CG2-CD1 4.44Å; V362-I366 VanDerWaalsContact O-CG1 3.32Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.14Å; L363-I366 WeakPolarHBondContact O-CB 3.43Å; L363-I366 PolarHBondContact O-N 2.78Å; L363-I366 VanDerWaalsContact O-N 3.08Å; D364-I366 VanDerWaalsContact C-N 3.3Å; D364-I366 PolarHBondContact O-N 2.97Å; I366-E368 VanDerWaalsContact C-N 3.32Å; I366-V369 WeakPolarHBondContact O-CG1 3.36Å; I366-S370 WeakPolarHBondContact O-CB 3.46Å; I366-S370 PolarHBondContact O-N 3Å
367Y94.3Very high90.8Very high117 Ų11747.6 Ų47.646%0.45923%0.23SC..Hα-helixtrans-64-41.8176.6-83-82.5000111L245 P246 L363 D364 S370 R371L245-Y367 HydrophobicContact CD2-CE2 4.41Å; P246-Y367 HydrophobicContact CG-CD1 3.87Å; P246-Y367 HydrophobicContact CG-CE1 3.88Å; P246-Y367 HydrophobicContact CG-CG 4.43Å; L363-Y367 HydrophobicContact CD1-CD2 4.07Å; L363-Y367 HydrophobicContact CD1-CE2 3.69Å; L363-Y367 HydrophobicContact CG-CD2 4.09Å; L363-Y367 HydrophobicContact CG-CE2 3.95Å; L363-Y367 WeakPolarHBondContact O-CD2 3.48Å; L363-Y367 PolarHBondContact O-N 2.91Å; L363-Y367 VanDerWaalsContact O-N 3.08Å; D364-Y367 PolarHBondContact O-N 2.99Å; Y367-S370 WeakPolarHBondContact O-CB 3.36Å; Y367-S370 PolarHBondContact O-N 3.24Å; Y367-R371 PolarHBondContact O-N 3.08Å
368E94.4Very high91.6Very high32 Ų3247.5 Ų47.515%0.1524%0.236CC..Hα-helixtrans-67.9-42.3-179.3-17449.3-13600112.3Y338 G341 D364 I366 S370 R371 A372Y338-E368 HydrophobicContact CD2-CB 4.07Å; Y338-E368 HydrophobicContact CD2-CG 3.71Å; Y338-E368 HydrophobicContact CE2-CB 3.86Å; Y338-E368 HydrophobicContact CE2-CG 3.8Å; G341-E368 WeakPolarHBondContact CA-OE1 3.34Å; D364-E368 VanDerWaalsContact O-CB 3.29Å; D364-E368 WeakPolarHBondContact O-CB 3.43Å; D364-E368 PolarHBondContact O-N 3.21Å; I366-E368 VanDerWaalsContact C-N 3.32Å; E368-S370 VanDerWaalsContact C-N 3.32Å; E368-S370 PolarHBondContact O-N 3.08Å; E368-R371 WeakPolarHBondContact O-CB 3.45Å; E368-R371 PolarHBondContact O-N 3.42Å; E368-R371 IonicContact OE1-CZ 3.87Å; E368-R371 IonicContact OE1-NE 2.76Å; E368-R371 PolarHBondContact OE1-NE 3.25Å; E368-R371 IonicContact OE1-NH2 3.81Å; E368-R371 PolarHBondContact OE1-NH2 3.05Å; E368-R371 IonicContact OE2-CZ 3.87Å; E368-R371 IonicContact OE2-NE 2.69Å; E368-R371 PolarHBondContact OE2-NE 3.38Å; E368-R371 VanDerWaalsContact OE2-NE 3.08Å; E368-A372 WeakPolarHBondContact O-CB 3.26Å; E368-A372 PolarHBondContact O-N 3.2Å
369V95.2Very high92.1Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-69.4-3217675.40000111.9L181 I211 L225 V334 Y338 A365 I366 A372 W373L181-V369 HydrophobicContact CD2-CB 4.05Å; L181-V369 HydrophobicContact CD2-CG2 3.85Å; I211-V369 HydrophobicContact CD1-CG2 3.72Å; I211-V369 HydrophobicContact CG2-CG2 4.28Å; L225-V369 HydrophobicContact CD1-CB 4.35Å; L225-V369 HydrophobicContact CD1-CG1 3.87Å; L225-V369 HydrophobicContact CD1-CG2 3.89Å; V334-V369 HydrophobicContact CG1-CG2 4.02Å; Y338-V369 HydrophobicContact CD2-CB 3.87Å; Y338-V369 HydrophobicContact CD2-CG2 4.41Å; Y338-V369 HydrophobicContact CE2-CB 4.31Å; A365-V369 WeakPolarHBondContact O-CB 3.32Å; A365-V369 WeakPolarHBondContact O-CG1 3.35Å; A365-V369 PolarHBondContact O-N 3.04Å; I366-V369 WeakPolarHBondContact O-CG1 3.36Å; V369-A372 PolarHBondContact O-N 2.91Å; V369-W373 WeakPolarHBondContact O-CB 3.37Å; V369-W373 PolarHBondContact O-N 2.89Å
370S96.1Very high92.5Very high24 Ų2438.7 Ų38.717%0.16820%0.202CC..Hα-helixtrans-64.2-42.7171.8-173.20000111.8P246 I366 Y367 E368 W373 S374P246-S370 WeakPolarHBondContact CB-OG 3.25Å; I366-S370 WeakPolarHBondContact O-CB 3.46Å; I366-S370 PolarHBondContact O-N 3Å; Y367-S370 WeakPolarHBondContact O-CB 3.36Å; Y367-S370 PolarHBondContact O-N 3.24Å; E368-S370 VanDerWaalsContact C-N 3.32Å; E368-S370 PolarHBondContact O-N 3.08Å; S370-W373 PolarHBondContact O-N 3.04Å; S370-S374 PolarHBondContact O-N 3.04Å
371R95.1Very high92.9Very high98 Ų9838.3 Ų38.337%0.3720%0.2SC..Hα-helixtrans-61-49.2174-170.8-169.57580.29.7110.2G341 Y367 E368 W373 S374 M375G341-R371 VanDerWaalsContact CA-NH2 3.31Å; Y367-R371 PolarHBondContact O-N 3.08Å; E368-R371 WeakPolarHBondContact O-CB 3.45Å; E368-R371 PolarHBondContact O-N 3.42Å; E368-R371 IonicContact OE1-CZ 3.87Å; E368-R371 IonicContact OE1-NE 2.76Å; E368-R371 PolarHBondContact OE1-NE 3.25Å; E368-R371 IonicContact OE1-NH2 3.81Å; E368-R371 PolarHBondContact OE1-NH2 3.05Å; E368-R371 IonicContact OE2-CZ 3.87Å; E368-R371 IonicContact OE2-NE 2.69Å; E368-R371 PolarHBondContact OE2-NE 3.38Å; E368-R371 VanDerWaalsContact OE2-NE 3.08Å; R371-W373 VanDerWaalsContact C-N 3.27Å; R371-W373 PolarHBondContact O-N 3.3Å; R371-S374 PolarHBondContact O-N 2.92Å; R371-S374 PolarHBondContact O-OG 3.49Å; R371-M375 PolarHBondContact NH1-SD 3Å; R371-M375 WeakPolarHBondContact O-CG 3.34Å; R371-M375 PolarHBondContact O-N 3.14Å; R371-M375 VanDerWaalsContact O-N 3.12Å
372A94.6Very high93Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-55.4-41.5176.400000112.6V334 E368 V369 M375 V376V334-A372 HydrophobicContact CG1-CB 4.43Å; E368-A372 WeakPolarHBondContact O-CB 3.26Å; E368-A372 PolarHBondContact O-N 3.2Å; V369-A372 PolarHBondContact O-N 2.91Å; A372-M375 PolarHBondContact O-N 3.4Å; A372-V376 PolarHBondContact O-N 3.18Å
373W96.6Very high93Very high10 Ų1041.2 Ų41.24%0.03821%0.21CC..Hα-helixtrans-67.1-38.9175.6178.1-130000113.3C213 A215 K222 L223 L225 V330 V334 V369 S370 R371 M375 V376 I381C213-W373 HydrophobicContact CB-CE3 4.49Å; C213-W373 HydrophobicContact CB-CH2 3.98Å; C213-W373 HydrophobicContact CB-CZ2 4.26Å; C213-W373 HydrophobicContact CB-CZ3 4.11Å; A215-W373 HydrophobicContact CB-CH2 4.13Å; A215-W373 HydrophobicContact CB-CZ2 4.25Å; K222-W373 HydrophobicContact CB-CZ2 3.64Å; K222-W373 HydrophobicContact CD-CD2 4.31Å; K222-W373 HydrophobicContact CD-CE3 4.47Å; K222-W373 HydrophobicContact CD-CH2 3.89Å; K222-W373 HydrophobicContact CD-CZ2 3.69Å; K222-W373 HydrophobicContact CD-CZ3 4.27Å; K222-W373 HydrophobicContact CG-CH2 4.09Å; K222-W373 HydrophobicContact CG-CZ2 3.65Å; K222-W373 PolarHBondContact NZ-O 3.03Å; L223-W373 PolarHBondContact O-NE1 3.4Å; L225-W373 HydrophobicContact CD1-CB 3.84Å; L225-W373 HydrophobicContact CD1-CG 4.3Å; L225-W373 HydrophobicContact CD2-CB 4.09Å; L225-W373 HydrophobicContact CD2-CD2 4.11Å; L225-W373 HydrophobicContact CD2-CG 3.74Å; L225-W373 HydrophobicContact CG-CB 3.98Å; L225-W373 HydrophobicContact CG-CG 3.88Å; V330-W373 HydrophobicContact CG1-CH2 4.23Å; V330-W373 HydrophobicContact CG1-CZ3 3.69Å; V334-W373 HydrophobicContact CG2-CE3 3.58Å; V334-W373 HydrophobicContact CG2-CZ3 4.11Å; V369-W373 WeakPolarHBondContact O-CB 3.37Å; V369-W373 PolarHBondContact O-N 2.89Å; S370-W373 PolarHBondContact O-N 3.04Å; R371-W373 VanDerWaalsContact C-N 3.27Å; R371-W373 PolarHBondContact O-N 3.3Å; W373-M375 PolarHBondContact O-N 3.09Å; W373-V376 HydrophobicContact CE3-CB 4.06Å; W373-V376 HydrophobicContact CE3-CG2 3.83Å; W373-V376 HydrophobicContact CZ3-CB 4.1Å; W373-V376 HydrophobicContact CZ3-CG1 4.18Å; W373-V376 HydrophobicContact CZ3-CG2 4.14Å; W373-V376 PolarHBondContact O-N 2.81Å; W373-I381 HydrophobicContact CH2-CD1 4.13Å
374S94.8Very high93.1Very high78 Ų7839.9 Ų39.955%0.54520%0.204SC..Hα-helixtrans-62.3-32175.271.60000112.7K222 S370 R371 V376K222-S374 PolarHBondContact NZ-O 3.28Å; S370-S374 PolarHBondContact O-N 3.04Å; R371-S374 PolarHBondContact O-N 2.92Å; R371-S374 PolarHBondContact O-OG 3.49Å; S374-V376 PolarHBondContact O-N 3.12Å
375M92.6Very high93.2Very high71 Ų7137.5 Ų37.535%0.3519%0.191SC..Hα-helixtrans-73.9-20.9179.7-69.1179.972.800114.1Y337 R371 A372 W373 K377Y337-M375 HydrophobicContact CD1-CB 4.44Å; Y337-M375 HydrophobicContact CD1-CE 3.8Å; Y337-M375 HydrophobicContact CD1-SD 4.19Å; Y337-M375 HydrophobicContact CD2-CB 3.97Å; Y337-M375 HydrophobicContact CE1-CE 3.79Å; Y337-M375 HydrophobicContact CE2-CB 4.05Å; Y337-M375 HydrophobicContact CG-CB 4.2Å; Y337-M375 HydrophobicContact CG-SD 4.46Å; R371-M375 PolarHBondContact NH1-SD 3Å; R371-M375 WeakPolarHBondContact O-CG 3.34Å; R371-M375 PolarHBondContact O-N 3.14Å; R371-M375 VanDerWaalsContact O-N 3.12Å; A372-M375 PolarHBondContact O-N 3.4Å; W373-M375 PolarHBondContact O-N 3.09Å; M375-K377 PolarHBondContact O-N 3.5Å; M375-K377 VanDerWaalsContact O-N 3.15Å
376V91.9Very high93.1Very high2 Ų242.2 Ų42.21%0.01221%0.211CC..SBendtrans-62.4119.6176.41800000109.7K222 V330 T333 V334 Y337 A372 W373 S374 T380 I381K222-V376 PolarHBondContact NZ-O 2.91Å; V330-V376 HydrophobicContact CG1-CG1 4.31Å; T333-V376 HydrophobicContact CG2-CG2 4.24Å; V334-V376 HydrophobicContact CG2-CG2 3.59Å; Y337-V376 HydrophobicContact CD2-CG2 4.23Å; Y337-V376 HydrophobicContact CE2-CG2 4.43Å; A372-V376 PolarHBondContact O-N 3.18Å; W373-V376 HydrophobicContact CE3-CB 4.06Å; W373-V376 HydrophobicContact CE3-CG2 3.83Å; W373-V376 HydrophobicContact CZ3-CB 4.1Å; W373-V376 HydrophobicContact CZ3-CG1 4.18Å; W373-V376 HydrophobicContact CZ3-CG2 4.14Å; W373-V376 PolarHBondContact O-N 2.81Å; S374-V376 PolarHBondContact O-N 3.12Å; V376-T380 HydrophobicContact CG1-CG2 4.36Å; V376-I381 HydrophobicContact CG1-CD1 4.26Å; V376-I381 HydrophobicContact CG1-CG1 4.11Å
377K91.3Very high92.9Very high106 Ų10648 Ų4846%0.46124%0.237SC..  trans-76.6152.5-178.3-61.4-170.2-172.2170.80111.8M375 S379 T380 I381 E402M375-K377 PolarHBondContact O-N 3.5Å; M375-K377 VanDerWaalsContact O-N 3.15Å; K377-S379 PolarHBondContact O-N 2.62Å; K377-T380 WeakPolarHBondContact O-CB 3.29Å; K377-T380 PolarHBondContact O-N 3.06Å; K377-T380 VanDerWaalsContact O-N 3.11Å; K377-I381 PolarHBondContact O-N 3.26Å; K377-E402 WeakPolarHBondContact CD-OE1 3.5Å; K377-E402 WeakPolarHBondContact CE-OE1 3.36Å; K377-E402 IonicContact NZ-OE1 3.6Å; K377-E402 PolarHBondContact NZ-OE1 3.5Å
378S92.6Very high92.6Very high42 Ų4242.7 Ų42.729%0.29422%0.216SC..Hα-helixtrans-57.5-38.3174.3-51.80000111.5G219 T380 I381 T382G219-S378 VanDerWaalsContact O-CB 3.29Å; G219-S378 WeakPolarHBondContact O-CB 3.35Å; G219-S378 PolarHBondContact O-OG 3.48Å; S378-T380 VanDerWaalsContact C-N 3.31Å; S378-T380 PolarHBondContact O-N 2.87Å; S378-I381 CarbonylContact O-C 3.56Å; S378-I381 WeakPolarHBondContact O-CA 3.21Å; S378-I381 WeakPolarHBondContact O-CB 3.46Å; S378-I381 PolarHBondContact O-N 2.89Å; S378-T382 PolarHBondContact O-N 3.36Å; S378-T382 PolarHBondContact O-OG1 2.93Å
379S90.1Very high92Very high53 Ų5342.5 Ų42.537%0.37121%0.214SC..Hα-helixtrans-60.3-35.5176.659.80000113.7K377 I381 K383K377-S379 PolarHBondContact O-N 2.62Å; S379-I381 VanDerWaalsContact C-N 3.34Å; S379-K383 WeakPolarHBondContact O-CB 3.46Å; S379-K383 VanDerWaalsContact O-CG 3.23Å; S379-K383 WeakPolarHBondContact O-CG 3.11Å; S379-K383 PolarHBondContact O-N 2.66Å
380T90.3Very high91Very high31 Ų3146.4 Ų46.419%0.1924%0.24CC..Hα-helixtrans-63.5-43.1173.4-49.80000110.5V376 K377 S378 A384V376-T380 HydrophobicContact CG1-CG2 4.36Å; K377-T380 WeakPolarHBondContact O-CB 3.29Å; K377-T380 PolarHBondContact O-N 3.06Å; K377-T380 VanDerWaalsContact O-N 3.11Å; S378-T380 VanDerWaalsContact C-N 3.31Å; S378-T380 PolarHBondContact O-N 2.87Å; T380-A384 PolarHBondContact O-N 2.79Å
381I93.3Very high89.4Confident0 Ų048.5 Ų48.50%027%0.266CS..Hα-helixtrans-67.3-51.8178.8-65.6165000110A215 N216 K222 M326 V330 W373 V376 K377 S378 S379 K383 A384 W385A215-I381 HydrophobicContact CB-CD1 3.84Å; A215-I381 HydrophobicContact CB-CG2 4.24Å; N216-I381 WeakPolarHBondContact O-CG2 3.38Å; K222-I381 HydrophobicContact CD-CD1 3.79Å; K222-I381 HydrophobicContact CG-CD1 3.87Å; M326-I381 HydrophobicContact CE-CG2 4.08Å; V330-I381 HydrophobicContact CG1-CG1 4.39Å; V330-I381 HydrophobicContact CG2-CG1 4.22Å; W373-I381 HydrophobicContact CH2-CD1 4.13Å; V376-I381 HydrophobicContact CG1-CD1 4.26Å; V376-I381 HydrophobicContact CG1-CG1 4.11Å; K377-I381 PolarHBondContact O-N 3.26Å; S378-I381 CarbonylContact O-C 3.56Å; S378-I381 WeakPolarHBondContact O-CA 3.21Å; S378-I381 WeakPolarHBondContact O-CB 3.46Å; S378-I381 PolarHBondContact O-N 2.89Å; S379-I381 VanDerWaalsContact C-N 3.34Å; I381-K383 VanDerWaalsContact C-N 3.27Å; I381-K383 PolarHBondContact O-N 3.3Å; I381-A384 WeakPolarHBondContact O-CA 3.36Å; I381-A384 WeakPolarHBondContact O-CB 3.5Å; I381-A384 PolarHBondContact O-N 3.09Å; I381-W385 PolarHBondContact O-N 3.33Å
382T92.1Very high87.5Confident30 Ų3045.6 Ų45.618%0.18426%0.257CS..Hα-helixtrans-55.2-41.9178.8-47.30000112T218 S378 A384 W385 N392T218-T382 PolarHBondContact O-OG1 3.34Å; S378-T382 PolarHBondContact O-N 3.36Å; S378-T382 PolarHBondContact O-OG1 2.93Å; T382-A384 VanDerWaalsContact C-N 3.29Å; T382-A384 PolarHBondContact O-N 2.69Å; T382-W385 PolarHBondContact O-N 3.15Å; T382-N392 HydrophobicContact CG2-CB 4.21Å
383K90.6Very high85.4Confident92 Ų9252.1 Ų52.140%0.429%0.288SS..Hα-helixtrans-60.8-38.3174-76.4174.4-173.51770112.4S379 I381 W385 K386 N399S379-K383 WeakPolarHBondContact O-CB 3.46Å; S379-K383 VanDerWaalsContact O-CG 3.23Å; S379-K383 WeakPolarHBondContact O-CG 3.11Å; S379-K383 PolarHBondContact O-N 2.66Å; I381-K383 VanDerWaalsContact C-N 3.27Å; I381-K383 PolarHBondContact O-N 3.3Å; K383-W385 PolarHBondContact O-N 3.14Å; K383-K386 WeakPolarHBondContact O-CB 3.48Å; K383-K386 WeakPolarHBondContact O-CG 3.49Å; K383-K386 PolarHBondContact O-N 3.29Å; K383-N399 PolarHBondContact NZ-OD1 2.99Å
384A91.2Very high83Confident2 Ų260.3 Ų60.32%0.01733%0.326CS..Hα-helixtrans-65.9-28.6-179.700000112.5P325 Q328 V330 T380 I381 T382P325-A384 WeakPolarHBondContact O-CB 3.4Å; Q328-A384 HydrophobicContact CB-CB 4Å; V330-A384 HydrophobicContact CG2-CB 3.59Å; T380-A384 PolarHBondContact O-N 2.79Å; I381-A384 WeakPolarHBondContact O-CA 3.36Å; I381-A384 WeakPolarHBondContact O-CB 3.5Å; I381-A384 PolarHBondContact O-N 3.09Å; T382-A384 VanDerWaalsContact C-N 3.29Å; T382-A384 PolarHBondContact O-N 2.69Å
385W93.9Very high80.6Confident0 Ų064.2 Ų64.20%034%0.341CS..Hα-helixtrans-76-19.6175.6-7694.6000114.4I173 G175 A217 L290 P325 I381 T382 K383 K387 L388 F389I173-W385 HydrophobicContact CG2-CE3 4.44Å; I173-W385 HydrophobicContact CG2-CH2 3.67Å; I173-W385 HydrophobicContact CG2-CZ3 3.54Å; G175-W385 VanDerWaalsContact N-CZ2 3.31Å; A217-W385 HydrophobicContact CB-CD2 3.83Å; A217-W385 HydrophobicContact CB-CE3 4.11Å; A217-W385 HydrophobicContact CB-CG 4.1Å; A217-W385 HydrophobicContact CB-CZ2 4.42Å; L290-W385 HydrophobicContact CD1-CH2 3.8Å; L290-W385 HydrophobicContact CD1-CZ3 3.59Å; P325-W385 HydrophobicContact CB-CD2 3.57Å; P325-W385 HydrophobicContact CB-CE3 4.06Å; P325-W385 HydrophobicContact CB-CG 3.85Å; P325-W385 HydrophobicContact CB-CH2 4.49Å; P325-W385 HydrophobicContact CB-CZ2 4.08Å; P325-W385 HydrophobicContact CB-CZ3 4.49Å; P325-W385 HydrophobicContact CG-CD2 3.49Å; P325-W385 VanDerWaalsContact CG-CD2 3.49Å; P325-W385 HydrophobicContact CG-CE3 3.42Å; P325-W385 VanDerWaalsContact CG-CE3 3.42Å; P325-W385 HydrophobicContact CG-CG 4.18Å; P325-W385 HydrophobicContact CG-CH2 3.88Å; P325-W385 HydrophobicContact CG-CZ2 3.98Å; P325-W385 HydrophobicContact CG-CZ3 3.62Å; I381-W385 PolarHBondContact O-N 3.33Å; T382-W385 PolarHBondContact O-N 3.15Å; K383-W385 PolarHBondContact O-N 3.14Å; W385-K387 PolarHBondContact O-N 3.02Å; W385-L388 HydrophobicContact CE3-CD2 4.15Å; W385-L388 HydrophobicContact CZ3-CD2 3.87Å; W385-L388 PolarHBondContact O-N 2.75Å; W385-F389 HydrophobicContact CE3-CB 4.46Å; W385-F389 PolarHBondContact O-N 3.04Å
386K90.1Very high78.2Confident98 Ų9866.4 Ų66.443%0.42636%0.363SS..THydrogen-bonded Turntrans-53.9-32.9-171.3-73.9-170.5168.3-144.90115.1K383 E393K383-K386 WeakPolarHBondContact O-CB 3.48Å; K383-K386 WeakPolarHBondContact O-CG 3.49Å; K383-K386 PolarHBondContact O-N 3.29Å; K386-E393 IonicContact NZ-OE1 2.99Å; K386-E393 PolarHBondContact NZ-OE1 3.08Å
387K89Confident76Confident123 Ų12369 Ų6954%0.53539%0.391SS..THydrogen-bonded Turntrans-73.9-28.5-179.5-67-173.7-178.3174.80113.6L322 Q328 W385L322-K387 WeakPolarHBondContact O-CD 3.5Å; Q328-K387 HydrophobicContact CG-CD 4.37Å; W385-K387 PolarHBondContact O-N 3.02Å
388L89Confident73.8Confident4 Ų472.4 Ų72.42%0.02141%0.411CS..THydrogen-bonded Turntrans-97.4-36.1-179.5-177.667.3000111.6F155 F159 L290 I323 P325 W385F155-L388 HydrophobicContact CD1-CD1 3.79Å; F155-L388 HydrophobicContact CE1-CD1 3.83Å; F159-L388 HydrophobicContact CD1-CD1 4.42Å; F159-L388 HydrophobicContact CD1-CG 4.24Å; F159-L388 HydrophobicContact CE1-CD2 4.5Å; F159-L388 HydrophobicContact CE1-CG 4.49Å; L290-L388 HydrophobicContact CD1-CD2 3.51Å; I323-L388 HydrophobicContact CB-CB 4.45Å; I323-L388 HydrophobicContact CB-CD1 4.13Å; I323-L388 HydrophobicContact CD1-CD1 4.02Å; I323-L388 HydrophobicContact CG1-CD1 4.44Å; P325-L388 HydrophobicContact CG-CB 4.42Å; P325-L388 HydrophobicContact CG-CD2 3.74Å; W385-L388 HydrophobicContact CE3-CD2 4.15Å; W385-L388 HydrophobicContact CZ3-CD2 3.87Å; W385-L388 PolarHBondContact O-N 2.75Å
389F82.8Confident71.6Confident28 Ų2877 Ų7712%0.12343%0.432CS..  trans-144.584-172.7-164.6-105.6000110.8F159 V163 P170 I173 W385 G391F159-F389 HydrophobicContact CE1-CD2 4.46Å; V163-F389 HydrophobicContact CB-CE2 4.28Å; V163-F389 HydrophobicContact CG1-CE2 3.81Å; V163-F389 HydrophobicContact CG1-CZ 3.97Å; V163-F389 HydrophobicContact CG2-CE2 4.34Å; P170-F389 HydrophobicContact CG-CE1 4.25Å; I173-F389 HydrophobicContact CD1-CE1 4.42Å; I173-F389 HydrophobicContact CD1-CE2 4.49Å; I173-F389 HydrophobicContact CD1-CZ 4.3Å; W385-F389 HydrophobicContact CE3-CB 4.46Å; W385-F389 PolarHBondContact O-N 3.04Å; F389-G391 PolarHBondContact O-N 3.44Å
390P73.4Confident69.9Low83 Ų8379 Ų7954%0.53944%0.437SS..THydrogen-bonded Turntrans-74.7-11.5-170.724.6-31.6000116N392P390-N392 VanDerWaalsContact C-N 3.31Å; P390-N392 PolarHBondContact O-N 3.4Å; P390-N392 VanDerWaalsContact O-N 3.16Å
391G63.2Low68.4Low68 Ų6882.5 Ų82.570%0.70146%0.455SS*.THydrogen-bonded Turntrans-77.812.1-170.400000118F389 E393F389-G391 PolarHBondContact O-N 3.44Å; G391-E393 PolarHBondContact O-N 3.02Å
392N55.2Low66.8Low37 Ų3784.3 Ų84.320%0.19846%0.464CS..  trans-100.141.3-166.4-145.523.7000114.4P170 A217 T382 P390 E394P170-N392 WeakPolarHBondContact CB-OD1 3.5Å; P170-N392 VanDerWaalsContact CG-OD1 3.28Å; P170-N392 WeakPolarHBondContact CG-OD1 3.28Å; A217-N392 PolarHBondContact O-ND2 3.47Å; T382-N392 HydrophobicContact CG2-CB 4.21Å; P390-N392 VanDerWaalsContact C-N 3.31Å; P390-N392 PolarHBondContact O-N 3.4Å; P390-N392 VanDerWaalsContact O-N 3.16Å; N392-E394 PolarHBondContact O-N 2.75Å
393E50.3Low65.3Low136 Ų13683.5 Ų83.564%0.63646%0.461SS*.  trans-94.588.3-176.9-63.5-147.6150.900113.7K386 G391K386-E393 IonicContact NZ-OE1 2.99Å; K386-E393 PolarHBondContact NZ-OE1 3.08Å; G391-E393 PolarHBondContact O-N 3.02Å
394E46.6Very low63.8Low182 Ų18280.8 Ų80.885%0.8546%0.456SS*.SBendtrans-131.4120.2146.2-71.8-172.4174.500107.8N392N392-E394 PolarHBondContact O-N 2.75Å
395N43.9Very low62.7Low161 Ų16184.6 Ų84.686%0.86148%0.475SS*.  trans87.472.7-176.6-60.5-36000117.9G397N395-G397 PolarHBondContact O-N 3.1Å
396S40.8Very low61.5Low116 Ų11686.2 Ų86.281%0.81148%0.483SS*.  trans-75.374.8152.8520000110.7
397G47.4Very low60.2Low58 Ų5881.5 Ų81.560%0.59846%0.463SS*.  trans-60152.9162.700000111.1N395 N399N395-G397 PolarHBondContact O-N 3.1Å; G397-N399 PolarHBondContact O-N 3.31Å
398M43.8Very low59.2Low176 Ų17677 Ų7787%0.86745%0.448SS*.  trans-44.2134.4-178.3-73.1-175.8168.200112.6I400M398-I400 VanDerWaalsContact C-N 3.31Å; M398-I400 HydrophobicContact CB-CG1 4.36Å; M398-I400 PolarHBondContact O-N 3.26Å
399N45.8Very low58.2Low139 Ų13981.4 Ų81.474%0.74347%0.472SS*.  trans-8078.4-176.1-158.116.1000110.3K383 G397K383-N399 PolarHBondContact NZ-OD1 2.99Å; G397-N399 PolarHBondContact O-N 3.31Å
400I54.8Low57.6Low94 Ų9480.4 Ų80.448%0.48247%0.468SS..  trans-85.5123.7176.9-58.4177.5000108.6M398 E402 I405M398-I400 VanDerWaalsContact C-N 3.31Å; M398-I400 HydrophobicContact CB-CG1 4.36Å; M398-I400 PolarHBondContact O-N 3.26Å; I400-E402 VanDerWaalsContact C-N 3.32Å; I400-E402 PolarHBondContact O-N 3.06Å; I400-I405 HydrophobicContact CG2-CD1 3.13Å; I400-I405 HydrophobicContact CG2-CG1 4.11Å
401D59.6Low57.2Low105 Ų10576.5 Ų76.556%0.56144%0.443SS*.  trans-74.487.2170.9-172.2-9.7000109.5G403 A404 I405D401-G403 PolarHBondContact O-N 2.69Å; D401-G403 PolarHBondContact OD1-N 3.3Å; D401-G403 VanDerWaalsContact OD1-N 3.14Å; D401-A404 HydrophobicContact CB-CB 3.93Å; D401-A404 WeakPolarHBondContact O-CB 3.17Å; D401-A404 PolarHBondContact O-N 2.81Å; D401-A404 VanDerWaalsContact O-N 3.12Å; D401-A404 PolarHBondContact OD1-N 3.39Å; D401-I405 PolarHBondContact O-N 2.93Å
402E59.8Low57.4Low39 Ų3976.8 Ų76.818%0.18243%0.431CS..Hα-helixtrans-62.4-26.7-179.9-72.6172.9-168.700113.2Y337 K377 I400 I405 L406Y337-E402 PolarHBondContact OH-OE2 2.8Å; K377-E402 WeakPolarHBondContact CD-OE1 3.5Å; K377-E402 WeakPolarHBondContact CE-OE1 3.36Å; K377-E402 IonicContact NZ-OE1 3.6Å; K377-E402 PolarHBondContact NZ-OE1 3.5Å; I400-E402 VanDerWaalsContact C-N 3.32Å; I400-E402 PolarHBondContact O-N 3.06Å; E402-I405 PolarHBondContact O-N 2.78Å; E402-L406 VanDerWaalsContact O-CB 3.26Å; E402-L406 WeakPolarHBondContact O-CB 3.4Å; E402-L406 PolarHBondContact O-N 3.34Å
403G59.3Low58Low12 Ų1277.8 Ų77.812%0.12444%0.438CS..Hα-helixtrans-63.2-47.8172.800000110.4D401 L406 A407D401-G403 PolarHBondContact O-N 2.69Å; D401-G403 PolarHBondContact OD1-N 3.3Å; D401-G403 VanDerWaalsContact OD1-N 3.14Å; G403-L406 PolarHBondContact O-N 2.95Å; G403-A407 WeakPolarHBondContact O-CB 3.43Å; G403-A407 PolarHBondContact O-N 3.31Å
404A60.5Low58.7Low36 Ų3672 Ų7230%0.29841%0.411SS..Hα-helixtrans-64.2-39.4176.500000112.5D401 A407 A408D401-A404 HydrophobicContact CB-CB 3.93Å; D401-A404 WeakPolarHBondContact O-CB 3.17Å; D401-A404 PolarHBondContact O-N 2.81Å; D401-A404 VanDerWaalsContact O-N 3.12Å; D401-A404 PolarHBondContact OD1-N 3.39Å; A404-A407 PolarHBondContact O-N 3.4Å; A404-A408 WeakPolarHBondContact O-CB 3.21Å; A404-A408 PolarHBondContact O-N 3.04Å
405I66.8Low59.5Low81 Ų8167.5 Ų67.542%0.41539%0.391SS..Hα-helixtrans-64.4-45.6175.4-67-174.4000111.4I400 D401 E402 A407 A408 N409I400-I405 HydrophobicContact CG2-CD1 3.13Å; I400-I405 HydrophobicContact CG2-CG1 4.11Å; D401-I405 PolarHBondContact O-N 2.93Å; E402-I405 PolarHBondContact O-N 2.78Å; I405-A407 VanDerWaalsContact C-N 3.34Å; I405-A408 PolarHBondContact O-N 3.12Å; I405-N409 WeakPolarHBondContact O-CB 3.5Å; I405-N409 VanDerWaalsContact O-CG 3.26Å; I405-N409 PolarHBondContact O-N 3.06Å
406L68.6Low60.1Low34 Ų3466.1 Ų66.118%0.17838%0.383CS..Hα-helixtrans-64.1-42.2179.7-173.466.4000111.2Y337 A340 E402 G403 L410 F432Y337-L406 HydrophobicContact CD1-CD2 3.59Å; Y337-L406 HydrophobicContact CE1-CD2 3.82Å; A340-L406 HydrophobicContact CB-CD1 3.95Å; A340-L406 HydrophobicContact CB-CD2 3.5Å; A340-L406 VanDerWaalsContact CB-CD2 3.5Å; A340-L406 HydrophobicContact CB-CG 3.82Å; E402-L406 VanDerWaalsContact O-CB 3.26Å; E402-L406 WeakPolarHBondContact O-CB 3.4Å; E402-L406 PolarHBondContact O-N 3.34Å; G403-L406 PolarHBondContact O-N 2.95Å; L406-L410 HydrophobicContact CG-CD1 4.34Å; L406-L410 WeakPolarHBondContact O-CG 3.31Å; L406-L410 PolarHBondContact O-N 2.8Å; L406-L410 VanDerWaalsContact O-N 3.09Å; L406-F432 HydrophobicContact CD2-CE2 4.33Å; L406-F432 HydrophobicContact CD2-CZ 4.2Å; L406-F432 HydrophobicContact CG-CE2 4.41Å; L406-F432 HydrophobicContact CG-CZ 4.31Å
407A64.6Low61Low0 Ų063.2 Ų63.20%036%0.361CS..Hα-helixtrans-63.9-43.4174.900000111.8G403 A404 I405 L410 A411 I425 I428 D429 F432G403-A407 WeakPolarHBondContact O-CB 3.43Å; G403-A407 PolarHBondContact O-N 3.31Å; A404-A407 PolarHBondContact O-N 3.4Å; I405-A407 VanDerWaalsContact C-N 3.34Å; A407-L410 PolarHBondContact O-N 2.92Å; A407-A411 VanDerWaalsContact O-CB 3.31Å; A407-A411 WeakPolarHBondContact O-CB 3.2Å; A407-A411 PolarHBondContact O-N 2.76Å; A407-I425 HydrophobicContact CB-CG2 4.04Å; A407-I428 HydrophobicContact CB-CB 4.42Å; A407-I428 HydrophobicContact CB-CG2 3.88Å; A407-D429 WeakPolarHBondContact CB-OD1 3.4Å; A407-F432 HydrophobicContact CB-CD2 4.37Å; A407-F432 HydrophobicContact CB-CE2 4Å
408A66.2Low61Low27 Ų2769.4 Ų69.422%0.22337%0.374CS..Hα-helixtrans-63-44.3177.400000112.5A404 I405 A411 T412 I425A404-A408 WeakPolarHBondContact O-CB 3.21Å; A404-A408 PolarHBondContact O-N 3.04Å; I405-A408 PolarHBondContact O-N 3.12Å; A408-A411 PolarHBondContact O-N 2.96Å; A408-T412 WeakPolarHBondContact O-CB 3.5Å; A408-T412 PolarHBondContact O-N 3.2Å; A408-T412 PolarHBondContact O-OG1 2.85Å; A408-I425 HydrophobicContact CB-CD1 4.01Å
409N69.6Low61.4Low97 Ų9768.2 Ų68.252%0.51937%0.366SS..Hα-helixtrans-61.7-46.2177.1-72.3-12.7000111.2I405 T412 V413I405-N409 WeakPolarHBondContact O-CB 3.5Å; I405-N409 VanDerWaalsContact O-CG 3.26Å; I405-N409 PolarHBondContact O-N 3.06Å; N409-T412 PolarHBondContact O-N 3.36Å; N409-V413 WeakPolarHBondContact O-CG2 3.32Å; N409-V413 PolarHBondContact O-N 2.97Å; N409-V413 VanDerWaalsContact O-N 3.08Å
410L68.8Low61.6Low7 Ų762.2 Ų62.24%0.03734%0.335CS..Hα-helixtrans-66.9-37.9177.4-71.7167.8000112.5A340 L343 M347 L406 A407 T412 V413 L414 I428 F432A340-L410 HydrophobicContact CB-CD1 3.7Å; L343-L410 HydrophobicContact CD2-CB 4.49Å; L343-L410 HydrophobicContact CD2-CD1 4.25Å; L343-L410 HydrophobicContact CD2-CD2 4.16Å; M347-L410 HydrophobicContact CE-CD2 3.86Å; L406-L410 HydrophobicContact CG-CD1 4.34Å; L406-L410 WeakPolarHBondContact O-CG 3.31Å; L406-L410 PolarHBondContact O-N 2.8Å; L406-L410 VanDerWaalsContact O-N 3.09Å; A407-L410 PolarHBondContact O-N 2.92Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.83Å; L410-V413 PolarHBondContact O-N 3.41Å; L410-L414 WeakPolarHBondContact O-CB 3.14Å; L410-L414 VanDerWaalsContact O-CG 3.32Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 3.02Å; L410-I428 HydrophobicContact CB-CD1 3.99Å; L410-F432 HydrophobicContact CD1-CE1 4.37Å; L410-F432 HydrophobicContact CD1-CZ 3.66Å
411A66.7Low61.2Low2 Ų264.2 Ų64.22%0.01734%0.342CS..Hα-helixtrans-59.4-45.2174.900000110.6A407 A408 V413 L414 Q415 I425 I428A407-A411 VanDerWaalsContact O-CB 3.31Å; A407-A411 WeakPolarHBondContact O-CB 3.2Å; A407-A411 PolarHBondContact O-N 2.76Å; A408-A411 PolarHBondContact O-N 2.96Å; A411-V413 PolarHBondContact O-N 3.48Å; A411-L414 PolarHBondContact O-N 2.94Å; A411-Q415 WeakPolarHBondContact O-CB 3.49Å; A411-Q415 WeakPolarHBondContact O-CG 3.16Å; A411-Q415 PolarHBondContact O-N 2.71Å; A411-I425 HydrophobicContact CB-CG1 3.71Å; A411-I428 HydrophobicContact CB-CD1 3.67Å
412T67.2Low60.9Low74 Ų7466.8 Ų66.845%0.45435%0.351SS..Hα-helixtrans-63.6-43.1-179.7-53.70000111A408 N409 L410 N416A408-T412 WeakPolarHBondContact O-CB 3.5Å; A408-T412 PolarHBondContact O-N 3.2Å; A408-T412 PolarHBondContact O-OG1 2.85Å; N409-T412 PolarHBondContact O-N 3.36Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 2.83Å; T412-N416 VanDerWaalsContact O-CG 3.3Å; T412-N416 PolarHBondContact O-N 2.94Å; T412-N416 PolarHBondContact O-ND2 3.27Å; T412-N416 VanDerWaalsContact O-ND2 3.12Å
413V66.4Low60.8Low58 Ų5865.3 Ų65.335%0.35234%0.344SS..Hα-helixtrans-65-43.4177.4176.30000111M347 N409 L410 A411 N416M347-V413 HydrophobicContact CE-CB 4.29Å; M347-V413 HydrophobicContact CE-CG1 3.66Å; M347-V413 HydrophobicContact SD-CB 4.41Å; M347-V413 HydrophobicContact SD-CG1 3.62Å; N409-V413 WeakPolarHBondContact O-CG2 3.32Å; N409-V413 PolarHBondContact O-N 2.97Å; N409-V413 VanDerWaalsContact O-N 3.08Å; L410-V413 PolarHBondContact O-N 3.41Å; A411-V413 PolarHBondContact O-N 3.48Å; V413-N416 PolarHBondContact O-N 3.05Å
414L65.7Low60.9Low13 Ų1367.9 Ų67.97%0.06836%0.355CS..Hα-helixtrans-67.6-39.2179.5-73.3171.2000112.5L343 M347 L410 A411 N416 T417 C420 V423 I428L343-L414 HydrophobicContact CD2-CD1 3.89Å; M347-L414 HydrophobicContact CG-CD2 4.18Å; M347-L414 HydrophobicContact SD-CD2 3.43Å; M347-L414 WeakPolarHBondContact SD-CD2 3.44Å; M347-L414 HydrophobicContact SD-CG 3.84Å; L410-L414 WeakPolarHBondContact O-CB 3.14Å; L410-L414 VanDerWaalsContact O-CG 3.32Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 3.02Å; A411-L414 PolarHBondContact O-N 2.94Å; L414-N416 PolarHBondContact O-N 3.12Å; L414-T417 PolarHBondContact O-N 3.37Å; L414-T417 PolarHBondContact O-OG1 2.71Å; L414-C420 HydrophobicContact CB-CB 4.06Å; L414-C420 HydrophobicContact CD2-CB 4.23Å; L414-C420 WeakPolarHBondContact O-CB 3.49Å; L414-V423 HydrophobicContact CB-CB 4.26Å; L414-V423 HydrophobicContact CD1-CB 4.38Å; L414-V423 HydrophobicContact CD1-CG1 3.88Å; L414-I428 HydrophobicContact CD1-CD1 4Å; L414-I428 HydrophobicContact CD1-CG1 4.47Å
415Q63Low60.8Low89 Ų8969.8 Ų69.842%0.41636%0.36SS..Hα-helixtrans-62-25.2175.8-74.91714.600113.1A411 T417 V423A411-Q415 WeakPolarHBondContact O-CB 3.49Å; A411-Q415 WeakPolarHBondContact O-CG 3.16Å; A411-Q415 PolarHBondContact O-N 2.71Å; Q415-T417 VanDerWaalsContact C-N 3.33Å; Q415-V423 WeakPolarHBondContact CG-O 3.37Å; Q415-V423 PolarHBondContact NE2-O 2.93Å
416N57.5Low60.3Low131 Ų13172.2 Ų72.270%0.70137%0.369SS*.THydrogen-bonded Turntrans-86.70.6177.6-66.9-26.9000113.6T412 V413 L414T412-N416 VanDerWaalsContact O-CG 3.3Å; T412-N416 PolarHBondContact O-N 2.94Å; T412-N416 PolarHBondContact O-ND2 3.27Å; T412-N416 VanDerWaalsContact O-ND2 3.12Å; V413-N416 PolarHBondContact O-N 3.05Å; L414-N416 PolarHBondContact O-N 3.12Å
417T57.8Low60Low56 Ų5672.7 Ų72.734%0.34437%0.374SS..SBendtrans-101.3130.8174.1530000110.2L414 Q415 E419 C420L414-T417 PolarHBondContact O-N 3.37Å; L414-T417 PolarHBondContact O-OG1 2.71Å; Q415-T417 VanDerWaalsContact C-N 3.33Å; T417-E419 PolarHBondContact O-N 3.08Å; T417-C420 PolarHBondContact O-N 3.2Å; T417-C420 WeakPolarHBondContact OG1-CB 3.02Å
418E49Very low59.9Low187 Ų18773 Ų7387%0.87438%0.375SS*.THydrogen-bonded Turntrans-55-21.1-173.3-65.1-176.6166.300113.9
419E50.6Low59.6Low152 Ų15273.7 Ų73.771%0.7138%0.375SS*.THydrogen-bonded Turntrans-94.3-8.1-179.7-60.7-17616300114.5T417T417-E419 PolarHBondContact O-N 3.08Å
420C51Low59.3Low13 Ų1375.2 Ų75.29%0.08838%0.379CS..  trans-128.924.1-170.6-67.80000114.9L191 L414 T417 H422 V423L191-C420 VanDerWaalsContact CD2-SG 3.58Å; L414-C420 HydrophobicContact CB-CB 4.06Å; L414-C420 HydrophobicContact CD2-CB 4.23Å; L414-C420 WeakPolarHBondContact O-CB 3.49Å; T417-C420 PolarHBondContact O-N 3.2Å; T417-C420 WeakPolarHBondContact OG1-CB 3.02Å; C420-H422 PolarHBondContact O-N 2.87Å; C420-V423 HydrophobicContact CB-CG2 3.99Å; C420-V423 PolarHBondContact O-N 2.87Å; C420-V423 VanDerWaalsContact O-N 3.08Å
421E46.7Very low59Low135 Ų13575.7 Ų75.763%0.63138%0.381SS*.THydrogen-bonded Turntrans-53.5-19.2-178.1-66.9-175.8161.700114.9
422H53.1Low58.9Low160 Ų16075.8 Ų75.874%0.74138%0.38SS*.THydrogen-bonded Turntrans-105.26-174.3-61.259.8000114C420 D424C420-H422 PolarHBondContact O-N 2.87Å; H422-D424 PolarHBondContact O-N 3.31Å
423V57.3Low58.5Low7 Ų776.3 Ų76.34%0.04238%0.38CS..  trans-84.3114.3177.8-174.10000109.9T190 L414 Q415 C420 T427 I428T190-V423 HydrophobicContact CG2-CG2 4.24Å; L414-V423 HydrophobicContact CB-CB 4.26Å; L414-V423 HydrophobicContact CD1-CB 4.38Å; L414-V423 HydrophobicContact CD1-CG1 3.88Å; Q415-V423 WeakPolarHBondContact CG-O 3.37Å; Q415-V423 PolarHBondContact NE2-O 2.93Å; C420-V423 HydrophobicContact CB-CG2 3.99Å; C420-V423 PolarHBondContact O-N 2.87Å; C420-V423 VanDerWaalsContact O-N 3.08Å; V423-T427 HydrophobicContact CG1-CG2 4.33Å; V423-I428 HydrophobicContact CG1-CD1 4Å; V423-I428 HydrophobicContact CG1-CG1 3.81Å
424D61.4Low57.9Low66 Ų6674.7 Ų74.735%0.35337%0.372SS..  trans-102.5170.4175.666.16.6000112.7H422 E426 T427 I428H422-D424 PolarHBondContact O-N 3.31Å; D424-E426 PolarHBondContact O-N 3.48Å; D424-T427 WeakPolarHBondContact O-CB 3.35Å; D424-T427 PolarHBondContact O-N 3.35Å; D424-T427 WeakPolarHBondContact OD1-CB 3.05Å; D424-T427 PolarHBondContact OD1-N 3.08Å; D424-T427 PolarHBondContact OD1-OG1 3.35Å; D424-I428 PolarHBondContact O-N 2.97Å
425I58.2Low56.8Low76 Ų7682.6 Ų82.639%0.3940%0.401SS..Hα-helixtrans-58-40.7179.4-56.7177000110.2A407 A408 A411 T427 I428 D429A407-I425 HydrophobicContact CB-CG2 4.04Å; A408-I425 HydrophobicContact CB-CD1 4.01Å; A411-I425 HydrophobicContact CB-CG1 3.71Å; I425-T427 VanDerWaalsContact C-N 3.32Å; I425-T427 PolarHBondContact O-N 2.8Å; I425-I428 PolarHBondContact O-N 2.83Å; I425-D429 WeakPolarHBondContact O-CB 2.93Å; I425-D429 PolarHBondContact O-N 2.9Å
426E57.7Low55.5Low133 Ų13383 Ų8362%0.62141%0.413SS*.Hα-helixtrans-62.6-37.7179.2-69-168.2-178.900112.2D424 Q430D424-E426 PolarHBondContact O-N 3.48Å; E426-Q430 VanDerWaalsContact O-CB 3.27Å; E426-Q430 WeakPolarHBondContact O-CB 3.32Å; E426-Q430 WeakPolarHBondContact O-CG 3.17Å; E426-Q430 PolarHBondContact O-N 3.24Å
427T61.5Low54.6Low44 Ų4478.5 Ų78.527%0.2739%0.389SS..Hα-helixtrans-65.8-40.6177-61.90000111.4V423 D424 I425 W431V423-T427 HydrophobicContact CG1-CG2 4.33Å; D424-T427 WeakPolarHBondContact O-CB 3.35Å; D424-T427 PolarHBondContact O-N 3.35Å; D424-T427 WeakPolarHBondContact OD1-CB 3.05Å; D424-T427 PolarHBondContact OD1-N 3.08Å; D424-T427 PolarHBondContact OD1-OG1 3.35Å; I425-T427 VanDerWaalsContact C-N 3.32Å; I425-T427 PolarHBondContact O-N 2.8Å; T427-W431 PolarHBondContact O-N 3.46Å
428I61.8Low53.5Low5 Ų577.2 Ų77.23%0.02638%0.38CS..Hα-helixtrans-69.8-43.3177.5-67167.5000110.9A407 L410 A411 L414 V423 D424 I425 Q430 W431 F432A407-I428 HydrophobicContact CB-CB 4.42Å; A407-I428 HydrophobicContact CB-CG2 3.88Å; L410-I428 HydrophobicContact CB-CD1 3.99Å; A411-I428 HydrophobicContact CB-CD1 3.67Å; L414-I428 HydrophobicContact CD1-CD1 4Å; L414-I428 HydrophobicContact CD1-CG1 4.47Å; V423-I428 HydrophobicContact CG1-CD1 4Å; V423-I428 HydrophobicContact CG1-CG1 3.81Å; D424-I428 PolarHBondContact O-N 2.97Å; I425-I428 PolarHBondContact O-N 2.83Å; I428-Q430 PolarHBondContact O-N 3.34Å; I428-W431 WeakPolarHBondContact O-CB 3.42Å; I428-W431 PolarHBondContact O-N 2.91Å; I428-W431 VanDerWaalsContact O-N 3.12Å; I428-F432 HydrophobicContact CG2-CD1 4.44Å; I428-F432 HydrophobicContact CG2-CD2 4.05Å; I428-F432 HydrophobicContact CG2-CE1 4.14Å; I428-F432 HydrophobicContact CG2-CE2 3.72Å; I428-F432 HydrophobicContact CG2-CG 4.42Å; I428-F432 HydrophobicContact CG2-CZ 3.78Å; I428-F432 WeakPolarHBondContact O-CB 3.48Å; I428-F432 WeakPolarHBondContact O-CG 3.38Å; I428-F432 PolarHBondContact O-N 2.58Å
429D60.9Low52.5Low43 Ų4373.6 Ų73.623%0.2338%0.375CS..Hα-helixtrans-63.7-41.6176.2-83.7-28.5000111.8A407 I425 W431 F432 D433A407-D429 WeakPolarHBondContact CB-OD1 3.4Å; I425-D429 WeakPolarHBondContact O-CB 2.93Å; I425-D429 PolarHBondContact O-N 2.9Å; D429-W431 PolarHBondContact O-N 3.23Å; D429-F432 WeakPolarHBondContact O-CB 3.37Å; D429-F432 PolarHBondContact O-N 3.06Å; D429-D433 WeakPolarHBondContact O-CB 3.26Å; D429-D433 PolarHBondContact O-N 3.17Å
430Q62.1Low51.6Low128 Ų12868.9 Ų68.960%0.59836%0.359SS*.Hα-helixtrans-60.2-35.8173.1-77.6175.940.400112.1E426 I428 D433 S434E426-Q430 VanDerWaalsContact O-CB 3.27Å; E426-Q430 WeakPolarHBondContact O-CB 3.32Å; E426-Q430 WeakPolarHBondContact O-CG 3.17Å; E426-Q430 PolarHBondContact O-N 3.24Å; I428-Q430 PolarHBondContact O-N 3.34Å; Q430-D433 CarbonylContact O-C 3.56Å; Q430-S434 WeakPolarHBondContact O-CA 3.49Å; Q430-S434 VanDerWaalsContact O-CB 3.25Å; Q430-S434 WeakPolarHBondContact O-CB 3.37Å; Q430-S434 PolarHBondContact O-N 3.33Å
431W64.2Low50.7Low18 Ų1870.3 Ų70.37%0.06837%0.369CS..Hα-helixtrans-73.8-43.5175.6172.664.8000112.6C185 P187 R339 L343 T427 I428 D429 D433 S434C185-W431 WeakPolarHBondContact O-CZ2 3.29Å; P187-W431 HydrophobicContact CB-CD2 4.3Å; P187-W431 HydrophobicContact CB-CG 4.17Å; P187-W431 VanDerWaalsContact CD-CZ2 3.5Å; P187-W431 HydrophobicContact CG-CD2 3.67Å; P187-W431 HydrophobicContact CG-CE3 3.98Å; P187-W431 HydrophobicContact CG-CG 4.07Å; P187-W431 HydrophobicContact CG-CH2 4.1Å; P187-W431 HydrophobicContact CG-CZ2 3.9Å; P187-W431 HydrophobicContact CG-CZ3 4.17Å; R339-W431 HydrophobicContact CB-CE3 4.44Å; R339-W431 HydrophobicContact CB-CH2 3.44Å; R339-W431 VanDerWaalsContact CB-CH2 3.44Å; R339-W431 HydrophobicContact CB-CZ2 3.83Å; R339-W431 HydrophobicContact CB-CZ3 3.76Å; R339-W431 HydrophobicContact CG-CH2 4.01Å; R339-W431 HydrophobicContact CG-CZ2 3.85Å; R339-W431 VanDerWaalsContact O-CH2 3.29Å; R339-W431 WeakPolarHBondContact O-CH2 3.49Å; L343-W431 HydrophobicContact CB-CH2 4.14Å; L343-W431 HydrophobicContact CB-CZ3 4.35Å; L343-W431 HydrophobicContact CD2-CZ3 4.13Å; T427-W431 PolarHBondContact O-N 3.46Å; I428-W431 WeakPolarHBondContact O-CB 3.42Å; I428-W431 PolarHBondContact O-N 2.91Å; I428-W431 VanDerWaalsContact O-N 3.12Å; D429-W431 PolarHBondContact O-N 3.23Å; W431-D433 PolarHBondContact O-N 2.8Å; W431-S434 WeakPolarHBondContact O-CB 3.42Å; W431-S434 PolarHBondContact O-N 2.85Å; W431-S434 PolarHBondContact O-OG 3.01Å
432F63.6Low49.9Very low3 Ų370.8 Ų70.81%0.01337%0.371CS..Hα-helixtrans-54.1-37.7171.3-79.9-8000112.2R336 R339 A340 L406 A407 L410 I428 D429R336-F432 HydrophobicContact CB-CG 4.41Å; R336-F432 HydrophobicContact CG-CB 3.91Å; R336-F432 HydrophobicContact CG-CD2 4.36Å; R336-F432 HydrophobicContact CG-CG 4.09Å; R339-F432 HydrophobicContact CB-CD1 4.07Å; R339-F432 HydrophobicContact CB-CE1 4.01Å; R339-F432 PolarHBondContact NH1-O 3.12Å; A340-F432 HydrophobicContact CB-CE1 4.27Å; A340-F432 HydrophobicContact CB-CZ 3.98Å; L406-F432 HydrophobicContact CD2-CE2 4.33Å; L406-F432 HydrophobicContact CD2-CZ 4.2Å; L406-F432 HydrophobicContact CG-CE2 4.41Å; L406-F432 HydrophobicContact CG-CZ 4.31Å; A407-F432 HydrophobicContact CB-CD2 4.37Å; A407-F432 HydrophobicContact CB-CE2 4Å; L410-F432 HydrophobicContact CD1-CE1 4.37Å; L410-F432 HydrophobicContact CD1-CZ 3.66Å; I428-F432 HydrophobicContact CG2-CD1 4.44Å; I428-F432 HydrophobicContact CG2-CD2 4.05Å; I428-F432 HydrophobicContact CG2-CE1 4.14Å; I428-F432 HydrophobicContact CG2-CE2 3.72Å; I428-F432 HydrophobicContact CG2-CG 4.42Å; I428-F432 HydrophobicContact CG2-CZ 3.78Å; I428-F432 WeakPolarHBondContact O-CB 3.48Å; I428-F432 WeakPolarHBondContact O-CG 3.38Å; I428-F432 PolarHBondContact O-N 2.58Å; D429-F432 WeakPolarHBondContact O-CB 3.37Å; D429-F432 PolarHBondContact O-N 3.06Å
433D58.9Low48.7Very low85 Ų8565.6 Ų65.646%0.45535%0.351SS..THydrogen-bonded Turntrans-96.92.2179.7-68.6-16.3000113.9R336 D429 Q430 W431 R435R336-D433 IonicContact CZ-OD1 2.71Å; R336-D433 IonicContact NE-OD1 3.67Å; R336-D433 PolarHBondContact NE-OD1 2.95Å; R336-D433 VanDerWaalsContact NE-OD1 3.15Å; R336-D433 VanDerWaalsContact NH2-CG 3.28Å; R336-D433 IonicContact NH2-OD1 2.93Å; R336-D433 PolarHBondContact NH2-OD1 3.39Å; R336-D433 IonicContact NH2-OD2 3.31Å; R336-D433 PolarHBondContact NH2-OD2 3.35Å; R336-D433 VanDerWaalsContact NH2-OD2 3.09Å; D429-D433 WeakPolarHBondContact O-CB 3.26Å; D429-D433 PolarHBondContact O-N 3.17Å; Q430-D433 CarbonylContact O-C 3.56Å; W431-D433 PolarHBondContact O-N 2.8Å; D433-R435 PolarHBondContact O-N 2.87Å
434S53.7Low47.3Very low24 Ų2470.7 Ų70.717%0.16838%0.377CS..  trans-6593.6-178.167.20000111.2Q430 W431 S436Q430-S434 WeakPolarHBondContact O-CA 3.49Å; Q430-S434 VanDerWaalsContact O-CB 3.25Å; Q430-S434 WeakPolarHBondContact O-CB 3.37Å; Q430-S434 PolarHBondContact O-N 3.33Å; W431-S434 WeakPolarHBondContact O-CB 3.42Å; W431-S434 PolarHBondContact O-N 2.85Å; W431-S434 PolarHBondContact O-OG 3.01Å; S434-S436 PolarHBondContact O-N 3.19Å
435R42.7Very low45.6Very low180 Ų18071.5 Ų71.568%0.67939%0.393SS*.Hα-helixtrans-68.1-4.5171.6-73.8-177.2169.2-161.5-5.2113.6D433 N437 D438 S439D433-R435 PolarHBondContact O-N 2.87Å; R435-N437 PolarHBondContact O-N 3.12Å; R435-N437 VanDerWaalsContact O-N 3.12Å; R435-D438 PolarHBondContact O-N 3.41Å; R435-S439 PolarHBondContact O-N 3.36Å
436S36Very low44.2Very low96 Ų9675.1 Ų75.167%0.67141%0.413SS*.Hα-helixtrans-57.4-24.117748.30000112.4S434S434-S436 PolarHBondContact O-N 3.19Å
437N38.1Very low42.8Very low37 Ų3773.3 Ų73.320%0.19842%0.415CS..Hα-helixtrans-88.6-38.5167.5-69-23.5000112.3F182 C185 R435 S439F182-N437 HydrophobicContact CB-CB 4.34Å; F182-N437 HydrophobicContact CD2-CB 3.84Å; F182-N437 WeakPolarHBondContact CD2-O 3.4Å; F182-N437 HydrophobicContact CE2-CB 4.45Å; F182-N437 WeakPolarHBondContact CE2-O 3.36Å; F182-N437 HydrophobicContact CG-CB 4.08Å; F182-N437 WeakPolarHBondContact CZ-O 3.46Å; C185-N437 WeakPolarHBondContact CB-ND2 3.43Å; R435-N437 PolarHBondContact O-N 3.12Å; R435-N437 VanDerWaalsContact O-N 3.12Å; N437-S439 PolarHBondContact O-N 2.94Å
438D36.1Very low41.2Very low29 Ų2980.1 Ų80.116%0.15544%0.444CS..Hα-helixtrans-86.12.6-171.5-76.7-26.2000117K335 R339 R435 S440 C441K335-D438 WeakPolarHBondContact CD-OD2 3.37Å; K335-D438 IonicContact NZ-OD1 2.96Å; K335-D438 PolarHBondContact NZ-OD1 2.72Å; K335-D438 IonicContact NZ-OD2 3.91Å; K335-D438 PolarHBondContact NZ-OD2 3.16Å; R339-D438 IonicContact NH2-OD2 3.16Å; R435-D438 PolarHBondContact O-N 3.41Å; D438-S440 PolarHBondContact O-N 2.77Å; D438-C441 PolarHBondContact O-N 2.86Å
439S27.3Very low39.8Very low111 Ų11185.7 Ų85.778%0.77648%0.483SS*.THydrogen-bonded Turntrans-73.247.6-177179.70000114.9R435 N437R435-S439 PolarHBondContact O-N 3.36Å; N437-S439 PolarHBondContact O-N 2.94Å
440S31.4Very low38.2Very low53 Ų5388.1 Ų88.137%0.37151%0.51SS..THydrogen-bonded Turntrans-131.92.9160.253.60000113.1R208 D438 Q442R208-S440 PolarHBondContact NH1-OG 2.67Å; D438-S440 PolarHBondContact O-N 2.77Å; S440-Q442 PolarHBondContact O-N 3.1Å
441C32.5Very low36.5Very low43 Ų4390.4 Ų90.429%0.29152%0.52SS..SBendtrans-77.715.7-175.1-112.40000115.4W256 D438W256-C441 HydrophobicContact CH2-CB 4.43Å; D438-C441 PolarHBondContact O-N 2.86Å
442Q30.3Very low34.8Very low145 Ų14597.6 Ų97.668%0.67856%0.56SS**SBendtrans-141.6109.6164.5-102.1154.77.200108.2S440S440-Q442 PolarHBondContact O-N 3.1Å
443V28Very low33.1Very low52 Ų52106.6 Ų106.632%0.31560%0.602SS.*  trans89.596.1159.3-169.50000114.8P96P96-V443 HydrophobicContact CB-CB 4.1Å; P96-V443 HydrophobicContact CB-CG1 3.94Å; P96-V443 HydrophobicContact CB-CG2 3.5Å; P96-V443 VanDerWaalsContact CB-CG2 3.5Å; P96-V443 HydrophobicContact CG-CB 4.28Å; P96-V443 HydrophobicContact CG-CG1 4.07Å; P96-V443 HydrophobicContact CG-CG2 3.33Å; P96-V443 WeakPolarHBondContact O-CG1 3.39Å
444L27.4Very low31.6Very low113 Ų113109 Ų10959%0.59262%0.62SS**  trans-154.594.1140.3-69.5-175.8000107.6I101I101-L444 HydrophobicContact CD1-CD2 4.11Å; I101-L444 HydrophobicContact CG1-CD2 4.48Å
445A26.3Very low30.4Very low84 Ų84118 Ų11869%0.69466%0.656SS**  trans-87.7141.2148.300000107.1
446D27.3Very low29.7Very low152 Ų152114.3 Ų114.381%0.81366%0.664SS**SBendtrans59.997164.8-53.5-20.5000118.6
447S29.4Very low29.4Very low94 Ų94114.1 Ų114.166%0.65767%0.669SS**  trans162.171.6132.747.40000112.2
448E28.3Very low29.1Very low188 Ų188121.4 Ų121.488%0.87970%0.701SS**  trans-122.857.1155.3-83.1-168.1172.100109.7
449S31.1Very low28.7Very low122 Ų122129.5 Ų129.585%0.85374%0.738SS**SBendtrans-144.170.5167.5-66.80000108.8
450A27.6Very low28.7Very low94 Ų94133.8 Ų133.878%0.77774%0.743SS**SBendtrans172.751.5158.400000113.5
451E27.5Very low28.4Very low175 Ų175137.4 Ų137.482%0.81877%0.765SS**SBendtrans-138.716.9167.3-87.7-171.7-170.800114.8
452D27.3Very low27.9Very low170 Ų170140.7 Ų140.791%0.90979%0.789SS**SBendtrans-123.517.3177.2-118.4-2.2000114.5
453Q27.6Very low27.9Very low191 Ų191139.2 Ų139.289%0.89379%0.794SS**SBendtrans-106.26.3-179.4-86.9-170.8-6.600116.6
454T28.2Very low27.9Very low136 Ų136145.8 Ų145.883%0.83482%0.819SS**SBendtrans-121.826.5-177.934.10000115.8
455K29.1Very low27.8Very low213 Ų213145.9 Ų145.993%0.92683%0.828SS**SBendtrans-132.333.3168-72.6-167.7178.2-178.40115
456A27.7Very low27.8Very low102 Ų102153.3 Ų153.384%0.84384%0.839SS**  trans-136.959.7172.800000111.5
457A30.1Very low27.8Very low93 Ų93155 Ų15577%0.76984%0.839SS**  trans-143.581.1164.800000108.1
458E30.8Very low27.9Very low189 Ų189157 Ų15788%0.88385%0.847SS**SBendtrans166.185.6148.5-93.8173.5-163.400108.8
459Q28.4Very low27.9Very low199 Ų199156.2 Ų156.293%0.9384%0.843SS**  trans-170.9118.3144.1-103.2164.842.300108.8
460K27.1Very low28.2Very low202 Ų202158.5 Ų158.588%0.87885%0.845SS**  trans-58.4150.8175.2-85.6177.9174.3176.20111.3S462K460-S462 PolarHBondContact O-N 2.86Å
461P23.7Very low28.7Very low128 Ų128160.8 Ų160.883%0.83184%0.844SS**  trans-79.9119.6-170.331.7-31.1000111.1
462S23.6Very low29.3Very low113 Ų113157.6 Ų157.679%0.7984%0.839SS**  trans-92.3108.2158.4137.50000107.7K460 K464K460-S462 PolarHBondContact O-N 2.86Å; S462-K464 PolarHBondContact O-N 3.46Å; S462-K464 VanDerWaalsContact O-N 3.12Å
463S30.5Very low30.6Very low113 Ų113156.9 Ų156.979%0.7983%0.83SS**  trans-62.5100.6175.943.80000112.1
464K26.6Very low32.1Very low191 Ų191155.9 Ų155.983%0.8382%0.823SS**  trans-137.997.8149.9-77.1-170.2178.9173.50109.2S462 R466S462-K464 PolarHBondContact O-N 3.46Å; S462-K464 VanDerWaalsContact O-N 3.12Å; K464-R466 PolarHBondContact O-N 3.48Å
465S26.3Very low34.2Very low114 Ų114157.2 Ų157.280%0.79782%0.819SS**  trans-58.896.5168.155.90000109.6K467S465-K467 PolarHBondContact O-N 3.09Å
466R25.7Very low36.7Very low241 Ų241151 Ų15191%0.90980%0.795SS**  trans-79.496.8163.9-142.4174.8-170169.52.3105.9K464 T468K464-R466 PolarHBondContact O-N 3.48Å; R466-T468 PolarHBondContact O-N 3.1Å
467K27.1Very low39.6Very low188 Ų188149.2 Ų149.282%0.81778%0.776SS**  trans-49.7111.2168.3-70.9177.7177178.60107S465 E469S465-K467 PolarHBondContact O-N 3.09Å; K467-E469 VanDerWaalsContact C-N 3.28Å; K467-E469 PolarHBondContact O-N 2.88Å
468T30.8Very low42.4Very low135 Ų135147 Ų14783%0.82875%0.75SS**  trans-68.496.6167.4-47.30000105.6R466 L470R466-T468 PolarHBondContact O-N 3.1Å; T468-L470 PolarHBondContact O-N 3.17Å
469E29.9Very low45.1Very low171 Ų171145 Ų14580%0.79974%0.738SS**  trans-54.9112.2170.2-77.8177.4162.600108K467 N471K467-E469 VanDerWaalsContact C-N 3.28Å; K467-E469 PolarHBondContact O-N 2.88Å; E469-N471 VanDerWaalsContact C-N 3.31Å; E469-N471 PolarHBondContact O-N 3.04Å
470L37.1Very low48.1Very low170 Ų170136.8 Ų136.889%0.8970%0.704SS**  trans-58.399.6162.9-78.1155.8000106.5T468 P472T468-L470 PolarHBondContact O-N 3.17Å; L470-P472 WeakPolarHBondContact O-CD 3.5Å
471N36.8Very low51.1Low143 Ų143128.2 Ų128.277%0.76567%0.671SS**PPolyproline II helixtrans-59.3119.6174.2-124.5-22.8000107.7E469 E473E469-N471 VanDerWaalsContact C-N 3.31Å; E469-N471 PolarHBondContact O-N 3.04Å; N471-E473 PolarHBondContact O-N 3.01Å
472P41.8Very low54.3Low108 Ų108122.7 Ų122.770%0.70164%0.635SS**PPolyproline II helixtrans-61.7139.1-177.622.8-30.7000109.9L470 K474L470-P472 WeakPolarHBondContact O-CD 3.5Å; P472-K474 PolarHBondContact O-N 3.14Å
473E53.5Low57.5Low154 Ų154122.5 Ų122.572%0.7262%0.621SS**PPolyproline II helixtrans-53.7116175.1-67.6-170.8142.700108.9K233 N471 H475K233-E473 IonicContact NZ-OE1 2.88Å; K233-E473 PolarHBondContact NZ-OE1 2.86Å; N471-E473 PolarHBondContact O-N 3.01Å; E473-H475 PolarHBondContact O-N 3.04Å
474K59.6Low60.4Low171 Ų171124.4 Ų124.474%0.74361%0.611SS**  trans-72.981.4-178.4-158.8179.9-173.7-174.70108.4P472 I476P472-K474 PolarHBondContact O-N 3.14Å; K474-I476 PolarHBondContact O-N 2.87Å
475H72.1Confident63.5Low164 Ų164116.2 Ų116.276%0.75958%0.577SS**PPolyproline II helixtrans-69.7117.1175-170.4-74000108.7E473 S477E473-H475 PolarHBondContact O-N 3.04Å; H475-S477 PolarHBondContact O-N 3.26Å
476I81.8Confident66.6Low83 Ų83113.8 Ų113.843%0.42655%0.553SS.*PPolyproline II helixtrans-72.2126.4178-60.2161.8000107.9K474 A480 A481 W484K474-I476 PolarHBondContact O-N 2.87Å; I476-A480 HydrophobicContact CG2-CB 4.1Å; I476-A481 HydrophobicContact CG2-CB 4.07Å; I476-W484 HydrophobicContact CD1-CH2 4.37Å; I476-W484 HydrophobicContact CD1-CZ3 3.78Å; I476-W484 HydrophobicContact CG1-CH2 4.47Å; I476-W484 HydrophobicContact CG1-CZ3 4.26Å; I476-W484 HydrophobicContact CG2-CZ3 4.15Å
477S88.1Confident69.8Low63 Ų63106.6 Ų106.644%0.44153%0.533SS..PPolyproline II helixtrans-69.3150.8177.373.20000110.5H475 K479 A480 A481H475-S477 PolarHBondContact O-N 3.26Å; S477-K479 PolarHBondContact O-N 3.17Å; S477-A480 PolarHBondContact O-N 3.21Å; S477-A480 VanDerWaalsContact O-N 3.17Å; S477-A480 WeakPolarHBondContact OG-CB 3.33Å; S477-A480 PolarHBondContact OG-N 3.48Å; S477-A480 VanDerWaalsContact OG-N 3.12Å; S477-A481 PolarHBondContact O-N 3.2Å
478H89.4Confident72.8Confident46 Ų46101.6 Ų101.621%0.21351%0.514CS..Hα-helixtrans-58.1-31.8175.3-66.8-35.6000112.5L482 I513 Q517 Q520H478-L482 VanDerWaalsContact O-CG 3.31Å; H478-L482 WeakPolarHBondContact O-CG 3.33Å; H478-L482 PolarHBondContact O-N 3.03Å; H478-I513 HydrophobicContact CB-CG2 4.29Å; H478-Q517 HydrophobicContact CB-CB 3.85Å; H478-Q517 HydrophobicContact CB-CG 4.03Å; H478-Q520 PolarHBondContact CD2-OE1 3.1Å
479K88Confident75.5Confident149 Ų14995.3 Ų95.365%0.64848%0.476SS*.Hα-helixtrans-63.9-51.2174.9-173.3179.8177.6-177.20111.7S477 A481 L482 E483S477-K479 PolarHBondContact O-N 3.17Å; K479-A481 VanDerWaalsContact C-N 3.33Å; K479-A481 PolarHBondContact O-N 2.7Å; K479-L482 PolarHBondContact O-N 2.81Å; K479-E483 PolarHBondContact O-N 2.94Å; K479-E483 VanDerWaalsContact O-N 3.08Å
480A90.5Very high78.4Confident25 Ų2591.4 Ų91.421%0.20746%0.461CS..Hα-helixtrans-63.7-39.5178.900000112I476 S477 L482 E483 W484I476-A480 HydrophobicContact CG2-CB 4.1Å; S477-A480 PolarHBondContact O-N 3.21Å; S477-A480 VanDerWaalsContact O-N 3.17Å; S477-A480 WeakPolarHBondContact OG-CB 3.33Å; S477-A480 PolarHBondContact OG-N 3.48Å; S477-A480 VanDerWaalsContact OG-N 3.12Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.3Å; A480-E483 PolarHBondContact O-N 3.06Å; A480-W484 PolarHBondContact O-N 3.35Å; A480-W484 VanDerWaalsContact O-N 3.07Å
481A89.8Confident80.9Confident23 Ų2389.4 Ų89.419%0.1944%0.442CS..Hα-helixtrans-62.7-37.7175.800000112.4I476 S477 K479 T485 I513I476-A481 HydrophobicContact CG2-CB 4.07Å; S477-A481 PolarHBondContact O-N 3.2Å; K479-A481 VanDerWaalsContact C-N 3.33Å; K479-A481 PolarHBondContact O-N 2.7Å; A481-T485 WeakPolarHBondContact O-CB 3.27Å; A481-T485 PolarHBondContact O-N 3.07Å; A481-T485 PolarHBondContact O-OG1 3.46Å; A481-I513 HydrophobicContact CB-CD1 4.35Å; A481-I513 HydrophobicContact CB-CG2 4.21Å
482L90.8Very high83.2Confident12 Ų1283.5 Ų83.56%0.06341%0.41CS..Hα-helixtrans-66-46.7175.6-77.5169.4000112.1H478 K479 A480 W484 T485 E486 R510 I513 R514H478-L482 VanDerWaalsContact O-CG 3.31Å; H478-L482 WeakPolarHBondContact O-CG 3.33Å; H478-L482 PolarHBondContact O-N 3.03Å; K479-L482 PolarHBondContact O-N 2.81Å; A480-L482 VanDerWaalsContact C-N 3.32Å; A480-L482 PolarHBondContact O-N 3.3Å; L482-W484 VanDerWaalsContact C-N 3.33Å; L482-W484 PolarHBondContact O-N 3.29Å; L482-T485 PolarHBondContact O-N 3.05Å; L482-T485 VanDerWaalsContact O-N 3.1Å; L482-E486 WeakPolarHBondContact O-CB 3.37Å; L482-E486 WeakPolarHBondContact O-CG 3.44Å; L482-E486 PolarHBondContact O-N 3.45Å; L482-R510 HydrophobicContact CD2-CG 4.13Å; L482-I513 HydrophobicContact CD1-CG2 4.32Å; L482-I513 HydrophobicContact CD2-CB 3.74Å; L482-I513 HydrophobicContact CD2-CG2 3.75Å; L482-I513 HydrophobicContact CG-CB 4.18Å; L482-I513 HydrophobicContact CG-CG2 3.59Å; L482-R514 HydrophobicContact CD1-CG 3.97Å; L482-R514 HydrophobicContact CD2-CG 3.58Å; L482-R514 HydrophobicContact CG-CG 4.45Å
483E91.6Very high85.3Confident108 Ų10882.1 Ų82.151%0.50540%0.395SS..Hα-helixtrans-57.2-46.8178.5-173.5177.9177.400111.1K479 A480 T485 E486 N487K479-E483 PolarHBondContact O-N 2.94Å; K479-E483 VanDerWaalsContact O-N 3.08Å; A480-E483 PolarHBondContact O-N 3.06Å; E483-T485 VanDerWaalsContact C-N 3.35Å; E483-T485 PolarHBondContact O-N 3.06Å; E483-E486 PolarHBondContact O-N 3.28Å; E483-N487 WeakPolarHBondContact O-CB 3.19Å; E483-N487 PolarHBondContact O-N 2.7Å; E483-N487 PolarHBondContact O-ND2 3.19Å
484W91.8Very high87Confident154 Ų15481.7 Ų81.758%0.58339%0.392SS*.Hα-helixtrans-64-38.6175.4-64.6-10.3000113.1I476 A480 L482 E486 L488I476-W484 HydrophobicContact CD1-CH2 4.37Å; I476-W484 HydrophobicContact CD1-CZ3 3.78Å; I476-W484 HydrophobicContact CG1-CH2 4.47Å; I476-W484 HydrophobicContact CG1-CZ3 4.26Å; I476-W484 HydrophobicContact CG2-CZ3 4.15Å; A480-W484 PolarHBondContact O-N 3.35Å; A480-W484 VanDerWaalsContact O-N 3.07Å; L482-W484 VanDerWaalsContact C-N 3.33Å; L482-W484 PolarHBondContact O-N 3.29Å; W484-E486 VanDerWaalsContact C-N 3.34Å; W484-L488 WeakPolarHBondContact O-CB 3.34Å; W484-L488 PolarHBondContact O-N 3.24Å
485T91.4Very high88.3Confident19 Ų1976.4 Ų76.412%0.11737%0.371CS..Hα-helixtrans-68.2-36.6178.8-52.70000111.4A481 L482 E483 L489 L506 R510A481-T485 WeakPolarHBondContact O-CB 3.27Å; A481-T485 PolarHBondContact O-N 3.07Å; A481-T485 PolarHBondContact O-OG1 3.46Å; L482-T485 PolarHBondContact O-N 3.05Å; L482-T485 VanDerWaalsContact O-N 3.1Å; E483-T485 VanDerWaalsContact C-N 3.35Å; E483-T485 PolarHBondContact O-N 3.06Å; T485-L489 HydrophobicContact CG2-CD1 4.34Å; T485-L489 WeakPolarHBondContact O-CB 3.44Å; T485-L489 PolarHBondContact O-N 3.03Å; T485-L506 HydrophobicContact CG2-CD2 4.4Å; T485-R510 HydrophobicContact CG2-CB 3.94Å
486E90.4Very high88.5Confident62 Ų6276.9 Ų76.929%0.2938%0.378SS..Hα-helixtrans-70.1-48.2177.3-74.2175.217300110.9L482 E483 W484 L488 L489 D490 R514L482-E486 WeakPolarHBondContact O-CB 3.37Å; L482-E486 WeakPolarHBondContact O-CG 3.44Å; L482-E486 PolarHBondContact O-N 3.45Å; E483-E486 PolarHBondContact O-N 3.28Å; W484-E486 VanDerWaalsContact C-N 3.34Å; E486-L488 VanDerWaalsContact C-N 3.27Å; E486-L488 PolarHBondContact O-N 3.42Å; E486-L489 WeakPolarHBondContact O-CA 3.26Å; E486-L489 WeakPolarHBondContact O-CB 3.38Å; E486-L489 PolarHBondContact O-N 2.92Å; E486-D490 PolarHBondContact O-N 2.86Å; E486-R514 IonicContact OE1-CZ 2.75Å; E486-R514 IonicContact OE1-NE 3.84Å; E486-R514 IonicContact OE1-NH2 3.61Å; E486-R514 PolarHBondContact OE1-NH2 3.09Å
487N92.6Very high88.3Confident91 Ų9178.7 Ų78.749%0.48739%0.389SS..Hα-helixtrans-58.5-38.8175.7-67.1-14.4000112.4E483 D490 Y491E483-N487 WeakPolarHBondContact O-CB 3.19Å; E483-N487 PolarHBondContact O-N 2.7Å; E483-N487 PolarHBondContact O-ND2 3.19Å; N487-D490 PolarHBondContact O-N 3.14Å; N487-Y491 PolarHBondContact O-N 3.42Å
488L90Very high87.9Confident82 Ų8279.3 Ų79.343%0.42939%0.386SS..Hα-helixtrans-69.4-38.5176.3-176.563.2000112.1W484 E486 Y491 L492 L506W484-L488 WeakPolarHBondContact O-CB 3.34Å; W484-L488 PolarHBondContact O-N 3.24Å; E486-L488 VanDerWaalsContact C-N 3.27Å; E486-L488 PolarHBondContact O-N 3.42Å; L488-Y491 PolarHBondContact O-N 2.87Å; L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 3.44Å; L488-L506 HydrophobicContact CD2-CD1 3.94Å; L488-L506 HydrophobicContact CD2-CD2 3.8Å; L488-L506 HydrophobicContact CG-CD1 4.03Å
489L89.3Confident87.5Confident4 Ų482.6 Ų82.62%0.02141%0.405CS..Hα-helixtrans-61.1-46.7172.9-99.4153.8000111T485 E486 Y491 L492 E493 L506 R507 R510T485-L489 HydrophobicContact CG2-CD1 4.34Å; T485-L489 WeakPolarHBondContact O-CB 3.44Å; T485-L489 PolarHBondContact O-N 3.03Å; E486-L489 WeakPolarHBondContact O-CA 3.26Å; E486-L489 WeakPolarHBondContact O-CB 3.38Å; E486-L489 PolarHBondContact O-N 2.92Å; L489-Y491 VanDerWaalsContact C-N 3.32Å; L489-Y491 PolarHBondContact O-N 3.36Å; L489-L492 PolarHBondContact O-N 3.44Å; L489-L492 VanDerWaalsContact O-N 3.13Å; L489-E493 WeakPolarHBondContact O-CG 3.47Å; L489-E493 PolarHBondContact O-N 3.37Å; L489-L506 HydrophobicContact CD1-CB 4.1Å; L489-L506 HydrophobicContact CD2-CB 4.18Å; L489-L506 HydrophobicContact CG-CB 3.86Å; L489-R507 HydrophobicContact CD1-CG 4.33Å; L489-R507 HydrophobicContact CD2-CG 3.73Å; L489-R510 HydrophobicContact CD1-CB 4.36Å
490D89.7Confident87.3Confident89 Ų8981.4 Ų81.448%0.47640%0.404SS..Hα-helixtrans-61.7-41.9179.5-67.3-15000111.3E486 N487 L492 E493 Q494E486-D490 PolarHBondContact O-N 2.86Å; N487-D490 PolarHBondContact O-N 3.14Å; D490-L492 PolarHBondContact O-N 3.22Å; D490-E493 PolarHBondContact O-N 2.96Å; D490-Q494 VanDerWaalsContact O-CG 3.32Å; D490-Q494 WeakPolarHBondContact O-CG 3.49Å; D490-Q494 PolarHBondContact O-N 3.49Å
491Y90.5Very high86.9Confident128 Ų12883.1 Ų83.150%0.50242%0.415SS..Hα-helixtrans-57-47.9172.2172.9-97.7000111.8N487 L488 L489 E493 Q494 Q495N487-Y491 PolarHBondContact O-N 3.42Å; L488-Y491 PolarHBondContact O-N 2.87Å; L489-Y491 VanDerWaalsContact C-N 3.32Å; L489-Y491 PolarHBondContact O-N 3.36Å; Y491-E493 VanDerWaalsContact C-N 3.34Å; Y491-E493 PolarHBondContact O-N 2.95Å; Y491-Q494 WeakPolarHBondContact O-CB 3.25Å; Y491-Q494 PolarHBondContact O-N 3.37Å; Y491-Q494 VanDerWaalsContact O-N 3.15Å; Y491-Q495 HydrophobicContact CE1-CG 4.09Å; Y491-Q495 PolarHBondContact O-N 3.07Å
492L85.6Confident86.6Confident19 Ų1985.6 Ų85.610%0.09943%0.425CS..Hα-helixtrans-70.1-28.1-179.1-69.2175.5000113.7L488 L489 D490 Q494 Q495 M498 K503 L506L488-L492 WeakPolarHBondContact O-CG 3.45Å; L488-L492 PolarHBondContact O-N 3.44Å; L489-L492 PolarHBondContact O-N 3.44Å; L489-L492 VanDerWaalsContact O-N 3.13Å; D490-L492 PolarHBondContact O-N 3.22Å; L492-Q494 PolarHBondContact O-N 3.43Å; L492-Q495 PolarHBondContact O-N 3.37Å; L492-M498 HydrophobicContact CD2-CG 3.83Å; L492-M498 HydrophobicContact CD2-SD 3.86Å; L492-K503 WeakPolarHBondContact O-CE 3.41Å; L492-K503 PolarHBondContact O-NZ 3.17Å; L492-K503 VanDerWaalsContact O-NZ 3.17Å; L492-L506 HydrophobicContact CD1-CD1 3.11Å; L492-L506 HydrophobicContact CG-CD1 4.46Å
493E85.6Confident86.2Confident79 Ų7986.4 Ų86.437%0.36943%0.428SS..Hα-helixtrans-71.7-19.3173.6-64.7-67.1-168.400112.3L489 D490 Y491 K503 R507L489-E493 WeakPolarHBondContact O-CG 3.47Å; L489-E493 PolarHBondContact O-N 3.37Å; D490-E493 PolarHBondContact O-N 2.96Å; Y491-E493 VanDerWaalsContact C-N 3.34Å; Y491-E493 PolarHBondContact O-N 2.95Å; E493-K503 WeakPolarHBondContact OE2-CD 3.48Å; E493-K503 IonicContact OE2-NZ 2.8Å; E493-K503 PolarHBondContact OE2-NZ 3.5Å; E493-R507 IonicContact OE1-CZ 3.32Å; E493-R507 IonicContact OE1-NE 3.09Å; E493-R507 IonicContact OE1-NH2 3.15Å; E493-R507 PolarHBondContact OE1-NH2 2.86Å
494Q89.4Confident86Confident144 Ų14486 Ų8667%0.67343%0.429SS*.THydrogen-bonded Turntrans-86.4-9.5174.3-65.4167.221.700113.5D490 Y491 L492D490-Q494 VanDerWaalsContact O-CG 3.32Å; D490-Q494 WeakPolarHBondContact O-CG 3.49Å; D490-Q494 PolarHBondContact O-N 3.49Å; Y491-Q494 WeakPolarHBondContact O-CB 3.25Å; Y491-Q494 PolarHBondContact O-N 3.37Å; Y491-Q494 VanDerWaalsContact O-N 3.15Å; L492-Q494 PolarHBondContact O-N 3.43Å
495Q86.6Confident85.8Confident61 Ų6182.5 Ų82.529%0.28543%0.425SS..  trans-98.8127.9177.1-55.7-50.8-61.800110.6Y491 L492 M498Y491-Q495 HydrophobicContact CE1-CG 4.09Å; Y491-Q495 PolarHBondContact O-N 3.07Å; L492-Q495 PolarHBondContact O-N 3.37Å; Q495-M498 HydrophobicContact CB-CG 3.66Å; Q495-M498 HydrophobicContact CG-CG 4.38Å
496D76.8Confident85.6Confident173 Ų17382.9 Ų82.993%0.92543%0.425SS*.THydrogen-bonded Turntrans-83.6-14.6-176.7-72.4-30.3000113.6
497D77.5Confident85.5Confident122 Ų12285.3 Ų85.365%0.65243%0.432SS*.THydrogen-bonded Turntrans-100.35-173.763.8-22.8000113.9
498M78Confident85.4Confident75 Ų7589.7 Ų89.737%0.36944%0.442SS..  trans-89.3136.3-174.6-69.9-69.594.600114.3L492 Q495 L500L492-M498 HydrophobicContact CD2-CG 3.83Å; L492-M498 HydrophobicContact CD2-SD 3.86Å; Q495-M498 HydrophobicContact CB-CG 3.66Å; Q495-M498 HydrophobicContact CG-CG 4.38Å; M498-L500 PolarHBondContact O-N 3.24Å
499L81.4Confident85.4Confident116 Ų11689.5 Ų89.561%0.60744%0.441SS*.  trans-63.1133.3179.3-72.6162.6000111.8S501 D502 K503L499-S501 PolarHBondContact O-N 2.91Å; L499-D502 PolarHBondContact O-N 3.45Å; L499-K503 PolarHBondContact O-N 3.24Å
500L83.3Confident85.5Confident123 Ų12392.3 Ų92.364%0.64445%0.451SS*.Hα-helixtrans-56.7-34176.117961.5000112.2M498 D502 K503 L504M498-L500 PolarHBondContact O-N 3.24Å; L500-D502 VanDerWaalsContact C-N 3.25Å; L500-D502 PolarHBondContact O-N 3.18Å; L500-K503 PolarHBondContact O-N 3.42Å; L500-L504 HydrophobicContact CD1-CG 4.31Å; L500-L504 HydrophobicContact CG-CD1 4.1Å; L500-L504 HydrophobicContact CG-CG 4.34Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.47Å; L500-L504 PolarHBondContact O-N 2.99Å
501S83.7Confident85.5Confident62 Ų6291.3 Ų91.343%0.43445%0.448SS..Hα-helixtrans-56.3-40.6176.950.80000112.3L499 L504 V505L499-S501 PolarHBondContact O-N 2.91Å; S501-L504 PolarHBondContact O-N 3.44Å; S501-V505 WeakPolarHBondContact O-CG2 3.34Å; S501-V505 PolarHBondContact O-N 2.93Å
502D82.2Confident85.5Confident74 Ų7488.6 Ų88.640%0.39644%0.442SS..Hα-helixtrans-75-40.3-172.7-59.3-12.9000110.1L499 L500 L504 V505 L506L499-D502 PolarHBondContact O-N 3.45Å; L500-D502 VanDerWaalsContact C-N 3.25Å; L500-D502 PolarHBondContact O-N 3.18Å; D502-L504 VanDerWaalsContact C-N 3.31Å; D502-L504 PolarHBondContact O-N 3.32Å; D502-V505 PolarHBondContact O-N 3.3Å; D502-L506 PolarHBondContact O-N 3.22Å; D502-L506 VanDerWaalsContact O-N 3.08Å
503K83.1Confident85.8Confident30 Ų3089.1 Ų89.113%0.1344%0.444CS..Hα-helixtrans-57.4-44.4169.7-61.5-174.2177.5-164.40111.1L492 E493 L499 L500 L506 R507L492-K503 WeakPolarHBondContact O-CE 3.41Å; L492-K503 PolarHBondContact O-NZ 3.17Å; L492-K503 VanDerWaalsContact O-NZ 3.17Å; E493-K503 WeakPolarHBondContact OE2-CD 3.48Å; E493-K503 IonicContact OE2-NZ 2.8Å; E493-K503 PolarHBondContact OE2-NZ 3.5Å; L499-K503 PolarHBondContact O-N 3.24Å; L500-K503 PolarHBondContact O-N 3.42Å; K503-L506 PolarHBondContact O-N 2.81Å; K503-R507 VanDerWaalsContact O-CG 3.32Å; K503-R507 WeakPolarHBondContact O-CG 3.5Å; K503-R507 PolarHBondContact O-N 3.16Å
504L86.6Confident86Confident98 Ų9890.2 Ų90.251%0.51345%0.445SS..Hα-helixtrans-66.2-38.7178.3-70.4175.9000112.7L500 S501 D502 R507 R508L500-L504 HydrophobicContact CD1-CG 4.31Å; L500-L504 HydrophobicContact CG-CD1 4.1Å; L500-L504 HydrophobicContact CG-CG 4.34Å; L500-L504 VanDerWaalsContact O-CG 3.29Å; L500-L504 WeakPolarHBondContact O-CG 3.47Å; L500-L504 PolarHBondContact O-N 2.99Å; S501-L504 PolarHBondContact O-N 3.44Å; D502-L504 VanDerWaalsContact C-N 3.31Å; D502-L504 PolarHBondContact O-N 3.32Å; L504-R507 PolarHBondContact O-N 2.56Å; L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 PolarHBondContact O-N 2.96Å
505V87.9Confident86Confident82 Ų8289.9 Ų89.950%0.49744%0.442SS..Hα-helixtrans-60.2-47.8175.1168.70000110.6S501 D502 R507 R508 L509S501-V505 WeakPolarHBondContact O-CG2 3.34Å; S501-V505 PolarHBondContact O-N 2.93Å; D502-V505 PolarHBondContact O-N 3.3Å; V505-R507 PolarHBondContact O-N 3.46Å; V505-R508 WeakPolarHBondContact O-CB 3.24Å; V505-R508 PolarHBondContact O-N 2.87Å; V505-L509 HydrophobicContact CG1-CD1 4.21Å; V505-L509 HydrophobicContact CG1-CG 4.5Å; V505-L509 WeakPolarHBondContact O-CG 3.44Å; V505-L509 PolarHBondContact O-N 3.18Å
506L87.9Confident86.1Confident26 Ų2692.7 Ų92.714%0.13645%0.453CS..Hα-helixtrans-66-38.4178.8-75.2166.5000112.7T485 L488 L489 L492 D502 K503 R508 L509 R510T485-L506 HydrophobicContact CG2-CD2 4.4Å; L488-L506 HydrophobicContact CD2-CD1 3.94Å; L488-L506 HydrophobicContact CD2-CD2 3.8Å; L488-L506 HydrophobicContact CG-CD1 4.03Å; L489-L506 HydrophobicContact CD1-CB 4.1Å; L489-L506 HydrophobicContact CD2-CB 4.18Å; L489-L506 HydrophobicContact CG-CB 3.86Å; L492-L506 HydrophobicContact CD1-CD1 3.11Å; L492-L506 HydrophobicContact CG-CD1 4.46Å; D502-L506 PolarHBondContact O-N 3.22Å; D502-L506 VanDerWaalsContact O-N 3.08Å; K503-L506 PolarHBondContact O-N 2.81Å; L506-R508 VanDerWaalsContact C-N 3.29Å; L506-R508 PolarHBondContact O-N 3.48Å; L506-L509 HydrophobicContact CD2-CD1 4.29Å; L506-L509 PolarHBondContact O-N 3.45Å; L506-R510 WeakPolarHBondContact O-CB 3.35Å; L506-R510 PolarHBondContact O-N 3.25Å
507R87.8Confident86.7Confident113 Ų11386.9 Ų86.943%0.42642%0.42SS..Hα-helixtrans-60.6-39.6172.9-73.7175.7177.1-131.31.3111.9L489 E493 K503 L504 V505 T511L489-R507 HydrophobicContact CD1-CG 4.33Å; L489-R507 HydrophobicContact CD2-CG 3.73Å; E493-R507 IonicContact OE1-CZ 3.32Å; E493-R507 IonicContact OE1-NE 3.09Å; E493-R507 IonicContact OE1-NH2 3.15Å; E493-R507 PolarHBondContact OE1-NH2 2.86Å; K503-R507 VanDerWaalsContact O-CG 3.32Å; K503-R507 WeakPolarHBondContact O-CG 3.5Å; K503-R507 PolarHBondContact O-N 3.16Å; L504-R507 PolarHBondContact O-N 2.56Å; V505-R507 PolarHBondContact O-N 3.46Å; R507-T511 PolarHBondContact O-N 3.27Å; R507-T511 VanDerWaalsContact O-N 3.12Å; R507-T511 PolarHBondContact O-OG1 3.02Å
508R90.5Very high87.2Confident183 Ų18388 Ų8869%0.69142%0.419SS*.Hα-helixtrans-65.3-46.2174.4-174.3-176.7176.5-177.3-0.1111.2L504 V505 L506 T511 I512L504-R508 WeakPolarHBondContact O-CB 3.48Å; L504-R508 PolarHBondContact O-N 2.96Å; V505-R508 WeakPolarHBondContact O-CB 3.24Å; V505-R508 PolarHBondContact O-N 2.87Å; L506-R508 VanDerWaalsContact C-N 3.29Å; L506-R508 PolarHBondContact O-N 3.48Å; R508-T511 WeakPolarHBondContact O-CB 3.36Å; R508-T511 PolarHBondContact O-N 3.4Å; R508-T511 VanDerWaalsContact O-N 3.16Å; R508-I512 HydrophobicContact CG-CD1 4.25Å; R508-I512 WeakPolarHBondContact O-CG1 3.46Å; R508-I512 PolarHBondContact O-N 3.13Å
509L89.4Confident87.6Confident79 Ų7989.1 Ų89.141%0.41443%0.425SS..Hα-helixtrans-59.4-47176.7-71.2175.8000111.6V505 L506 T511 I512 I513V505-L509 HydrophobicContact CG1-CD1 4.21Å; V505-L509 HydrophobicContact CG1-CG 4.5Å; V505-L509 WeakPolarHBondContact O-CG 3.44Å; V505-L509 PolarHBondContact O-N 3.18Å; L506-L509 HydrophobicContact CD2-CD1 4.29Å; L506-L509 PolarHBondContact O-N 3.45Å; L509-T511 VanDerWaalsContact C-N 3.26Å; L509-T511 PolarHBondContact O-N 3Å; L509-I512 WeakPolarHBondContact O-CB 3.43Å; L509-I512 PolarHBondContact O-N 3.42Å; L509-I513 WeakPolarHBondContact O-CG1 3.22Å; L509-I513 PolarHBondContact O-N 3.38Å
510R91.9Very high87.8Confident62 Ų6288 Ų8823%0.23442%0.417CS..Hα-helixtrans-52.4-45.4173.5-175.217968.3177.9-1.1111.6L482 T485 L489 L506 I513 R514L482-R510 HydrophobicContact CD2-CG 4.13Å; T485-R510 HydrophobicContact CG2-CB 3.94Å; L489-R510 HydrophobicContact CD1-CB 4.36Å; L506-R510 WeakPolarHBondContact O-CB 3.35Å; L506-R510 PolarHBondContact O-N 3.25Å; R510-I513 PolarHBondContact O-N 3.23Å; R510-R514 WeakPolarHBondContact O-CG 3.4Å; R510-R514 PolarHBondContact O-N 3.26Å
511T90.4Very high87.7Confident68 Ų6885.9 Ų85.942%0.41741%0.406SS..Hα-helixtrans-63.2-42.7178.5-56.50000112R507 R508 L509 R514 K515R507-T511 PolarHBondContact O-N 3.27Å; R507-T511 VanDerWaalsContact O-N 3.12Å; R507-T511 PolarHBondContact O-OG1 3.02Å; R508-T511 WeakPolarHBondContact O-CB 3.36Å; R508-T511 PolarHBondContact O-N 3.4Å; R508-T511 VanDerWaalsContact O-N 3.16Å; L509-T511 VanDerWaalsContact C-N 3.26Å; L509-T511 PolarHBondContact O-N 3Å; T511-R514 PolarHBondContact O-N 3.34Å; T511-K515 WeakPolarHBondContact O-CG 3.48Å; T511-K515 PolarHBondContact O-N 3.03Å
512I90.3Very high87.4Confident71 Ų7188.7 Ų88.736%0.36442%0.417SS..Hα-helixtrans-62.7-46176.8-68165.2000110.8R508 L509 K515 K516R508-I512 HydrophobicContact CG-CD1 4.25Å; R508-I512 WeakPolarHBondContact O-CG1 3.46Å; R508-I512 PolarHBondContact O-N 3.13Å; L509-I512 WeakPolarHBondContact O-CB 3.43Å; L509-I512 PolarHBondContact O-N 3.42Å; I512-K515 WeakPolarHBondContact O-CB 3.34Å; I512-K515 PolarHBondContact O-N 2.89Å; I512-K516 PolarHBondContact O-N 3.44Å
513I91.1Very high86.9Confident30 Ų3093.2 Ų93.215%0.15443%0.433CS..Hα-helixtrans-65.1-42.5-178.9-58.1162.9000110.4H478 A481 L482 L509 R510 K515 K516 Q517H478-I513 HydrophobicContact CB-CG2 4.29Å; A481-I513 HydrophobicContact CB-CD1 4.35Å; A481-I513 HydrophobicContact CB-CG2 4.21Å; L482-I513 HydrophobicContact CD1-CG2 4.32Å; L482-I513 HydrophobicContact CD2-CB 3.74Å; L482-I513 HydrophobicContact CD2-CG2 3.75Å; L482-I513 HydrophobicContact CG-CB 4.18Å; L482-I513 HydrophobicContact CG-CG2 3.59Å; L509-I513 WeakPolarHBondContact O-CG1 3.22Å; L509-I513 PolarHBondContact O-N 3.38Å; R510-I513 PolarHBondContact O-N 3.23Å; I513-K515 VanDerWaalsContact C-N 3.32Å; I513-K515 PolarHBondContact O-N 3.09Å; I513-K516 PolarHBondContact O-N 3.4Å; I513-K516 VanDerWaalsContact O-N 3.17Å; I513-Q517 PolarHBondContact O-N 3.26Å
514R90Very high85.9Confident103 Ų10397.6 Ų97.639%0.38946%0.458SS..Hα-helixtrans-58.3-42.1174.2-73.9-176.8-177.2170.6-2.5112.1L482 E486 R510 T511 Q517 K518L482-R514 HydrophobicContact CD1-CG 3.97Å; L482-R514 HydrophobicContact CD2-CG 3.58Å; L482-R514 HydrophobicContact CG-CG 4.45Å; E486-R514 IonicContact OE1-CZ 2.75Å; E486-R514 IonicContact OE1-NE 3.84Å; E486-R514 IonicContact OE1-NH2 3.61Å; E486-R514 PolarHBondContact OE1-NH2 3.09Å; R510-R514 WeakPolarHBondContact O-CG 3.4Å; R510-R514 PolarHBondContact O-N 3.26Å; T511-R514 PolarHBondContact O-N 3.34Å; R514-Q517 PolarHBondContact O-N 3.01Å; R514-K518 WeakPolarHBondContact O-CG 3.44Å; R514-K518 PolarHBondContact O-N 2.9Å
515K89.6Confident84.1Confident137 Ų137103.1 Ų103.160%0.59648%0.481SS*.Hα-helixtrans-61.2-46.3175.5-75.8-178.1178.9-174.10111.4T511 I512 I513 Q517 K518 I519T511-K515 WeakPolarHBondContact O-CG 3.48Å; T511-K515 PolarHBondContact O-N 3.03Å; I512-K515 WeakPolarHBondContact O-CB 3.34Å; I512-K515 PolarHBondContact O-N 2.89Å; I513-K515 VanDerWaalsContact C-N 3.32Å; I513-K515 PolarHBondContact O-N 3.09Å; K515-Q517 PolarHBondContact O-N 3.05Å; K515-K518 PolarHBondContact O-N 2.51Å; K515-I519 VanDerWaalsContact O-CG1 3.31Å; K515-I519 WeakPolarHBondContact O-CG1 3.29Å; K515-I519 PolarHBondContact O-N 3.37Å
516K89.6Confident84Confident119 Ų119104.2 Ų104.252%0.51748%0.48SS..Hα-helixtrans-61.3-42.7177.3-71.4-174.3174.4-173.60112.2I512 I513 K518 I519 Q520I512-K516 PolarHBondContact O-N 3.44Å; I513-K516 PolarHBondContact O-N 3.4Å; I513-K516 VanDerWaalsContact O-N 3.17Å; K516-K518 PolarHBondContact O-N 2.96Å; K516-I519 PolarHBondContact O-N 3.14Å; K516-Q520 PolarHBondContact O-N 2.97Å
517Q89.3Confident83.8Confident51 Ų51108.3 Ų108.324%0.23850%0.498CS..Hα-helixtrans-60.6-45.3175.9-167.5-176.127.100112.3H478 I513 R514 K515 I519 Q520 N521H478-Q517 HydrophobicContact CB-CB 3.85Å; H478-Q517 HydrophobicContact CB-CG 4.03Å; I513-Q517 PolarHBondContact O-N 3.26Å; R514-Q517 PolarHBondContact O-N 3.01Å; K515-Q517 PolarHBondContact O-N 3.05Å; Q517-I519 PolarHBondContact O-N 3.48Å; Q517-Q520 PolarHBondContact O-N 3.41Å; Q517-N521 VanDerWaalsContact O-CG 3.31Å; Q517-N521 PolarHBondContact O-N 3.34Å; Q517-N521 PolarHBondContact O-OD1 3.41Å
518K86.8Confident83.5Confident146 Ų146108.1 Ų108.164%0.63550%0.502SS*.Hα-helixtrans-60.8-44.2176.4-74.3-177.3178-169.90112.1R514 K515 K516 Q520 N521 N522R514-K518 WeakPolarHBondContact O-CG 3.44Å; R514-K518 PolarHBondContact O-N 2.9Å; K515-K518 PolarHBondContact O-N 2.51Å; K516-K518 PolarHBondContact O-N 2.96Å; K518-Q520 VanDerWaalsContact C-N 3.3Å; K518-Q520 PolarHBondContact O-N 3.45Å; K518-N521 PolarHBondContact O-N 3.22Å; K518-N522 WeakPolarHBondContact O-CB 3.2Å; K518-N522 PolarHBondContact O-N 2.9Å; K518-N522 PolarHBondContact O-OD1 3.35Å
519I87.4Confident83.1Confident98 Ų98103.6 Ų103.650%0.50349%0.491SS..Hα-helixtrans-61.7-40.7177.2-66.6164.1000110.8K515 K516 Q517 N522 K523K515-I519 VanDerWaalsContact O-CG1 3.31Å; K515-I519 WeakPolarHBondContact O-CG1 3.29Å; K515-I519 PolarHBondContact O-N 3.37Å; K516-I519 PolarHBondContact O-N 3.14Å; Q517-I519 PolarHBondContact O-N 3.48Å; I519-N522 PolarHBondContact O-N 3.26Å; I519-K523 WeakPolarHBondContact O-CG 3.25Å; I519-K523 PolarHBondContact O-N 3.47Å
520Q84.9Confident82.7Confident94 Ų94105.2 Ų105.244%0.43950%0.495SS..Hα-helixtrans-65.2-44.1177.1-172.6176.815.100111.8H478 K516 Q517 K518 N522 K523 N524H478-Q520 PolarHBondContact CD2-OE1 3.1Å; K516-Q520 PolarHBondContact O-N 2.97Å; Q517-Q520 PolarHBondContact O-N 3.41Å; K518-Q520 VanDerWaalsContact C-N 3.3Å; K518-Q520 PolarHBondContact O-N 3.45Å; Q520-N522 VanDerWaalsContact C-N 3.33Å; Q520-N522 PolarHBondContact O-N 3.03Å; Q520-K523 PolarHBondContact O-N 2.96Å; Q520-N524 PolarHBondContact O-N 3.07Å
521N81.6Confident82.1Confident77 Ų77108.1 Ų108.141%0.41251%0.513SS..Hα-helixtrans-63.6-39.4178-68.5-4.6000111.8Q517 K518 K523 N524 H525Q517-N521 VanDerWaalsContact O-CG 3.31Å; Q517-N521 PolarHBondContact O-N 3.34Å; Q517-N521 PolarHBondContact O-OD1 3.41Å; K518-N521 PolarHBondContact O-N 3.22Å; N521-K523 VanDerWaalsContact C-N 3.27Å; N521-K523 PolarHBondContact O-N 3.17Å; N521-N524 PolarHBondContact O-N 3.27Å; N521-H525 PolarHBondContact O-CD2 3.18Å; N521-H525 VanDerWaalsContact O-CD2 3.27Å; N521-H525 PolarHBondContact O-N 3.01Å
522N76.4Confident81.5Confident122 Ų122110.9 Ų110.965%0.65252%0.52SS*.Hα-helixtrans-71.7-16.1177.4-72.47.2000114.2K518 I519 Q520K518-N522 WeakPolarHBondContact O-CB 3.2Å; K518-N522 PolarHBondContact O-N 2.9Å; K518-N522 PolarHBondContact O-OD1 3.35Å; I519-N522 PolarHBondContact O-N 3.26Å; Q520-N522 VanDerWaalsContact C-N 3.33Å; Q520-N522 PolarHBondContact O-N 3.03Å
523K72.5Confident80.9Confident169 Ų169114 Ų11474%0.73553%0.532SS*.Hα-helixtrans-88-16.6173.6-78.4-177.1175.7-171.40113.1I519 Q520 N521I519-K523 WeakPolarHBondContact O-CG 3.25Å; I519-K523 PolarHBondContact O-N 3.47Å; Q520-K523 PolarHBondContact O-N 2.96Å; N521-K523 VanDerWaalsContact C-N 3.27Å; N521-K523 PolarHBondContact O-N 3.17Å
524N62.1Low80Confident122 Ų122121 Ų12165%0.65256%0.563SS**  trans-98.4-0.6-179.3-67.5-12.5000112.4Q520 N521Q520-N524 PolarHBondContact O-N 3.07Å; N521-N524 PolarHBondContact O-N 3.27Å
525H49.8Very low79.1Confident214 Ų214122.6 Ų122.699%0.99158%0.579SS**  trans-109.90166.4-70.2-54.4000107.9N521N521-H525 PolarHBondContact O-CD2 3.18Å; N521-H525 VanDerWaalsContact O-CD2 3.27Å; N521-H525 PolarHBondContact O-N 3.01Å

Retrieved 525 of 525 residues in 368.8 ms (Link to these results)

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