A0A096NGE3_PAPAN Loading...

RNA-binding protein Luc7-like

Binds to RNA via its Arg/Ser-rich domain.

AlphaFold DB (Q9Y383), UniProt , Accession A0A096NGE3, Species PAPAN (Papio anubis, Olive baboon), Gene LUC7L2, Length 392 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
1M52.9Low75.1Confident199 Ų19997.3 Ų97.398%0.9852%0.52SS*.  0124.10-74-74.2-171.400108.2Q6M1-Q6 HydrophobicContact CB-CG 4.22Å
2S78.1Confident74.9Confident75 Ų7593.3 Ų93.352%0.52450%0.498SS..  trans-66.114517457.20000110.6Q4 A5 Q6S2-Q4 PolarHBondContact O-N 2.69Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; S2-A5 WeakPolarHBondContact O-CA 3.36Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.32Å; S2-Q6 PolarHBondContact O-N 2.9Å
3A81Confident74.2Confident64 Ų6493.8 Ų93.853%0.52950%0.496SS..Hα-helixtrans-51.5-35179.400000113.5A5 Q6 M7A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.07Å; A3-Q6 PolarHBondContact O-N 2.93Å; A3-M7 WeakPolarHBondContact O-CG 3.2Å; A3-M7 PolarHBondContact O-N 2.82Å
4Q81.7Confident73.6Confident118 Ų11895.7 Ų95.755%0.55151%0.506SS*.Hα-helixtrans-63.1-35.2174.9-64.7-176.3-1.400113.3S2 R8S2-Q4 PolarHBondContact O-N 2.69Å; S2-Q4 VanDerWaalsContact O-N 3.07Å; Q4-R8 WeakPolarHBondContact O-CB 3.38Å; Q4-R8 WeakPolarHBondContact O-CG 3.37Å; Q4-R8 PolarHBondContact O-N 3.42Å
5A78.9Confident72.9Confident32 Ų3296.4 Ų96.426%0.26451%0.507SS..Hα-helixtrans-72.7-35.9178.200000111.5S2 A3 A9S2-A5 WeakPolarHBondContact O-CA 3.36Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.32Å; A3-A5 VanDerWaalsContact C-N 3.32Å; A3-A5 PolarHBondContact O-N 3.07Å; A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 2.95Å
6Q79.2Confident72.2Confident121 Ų12190.4 Ų90.457%0.56548%0.475SS*.Hα-helixtrans-68.2-44.5173.3-75175.6-23.800111.8M1 S2 A3 R8 A9 M10M1-Q6 HydrophobicContact CB-CG 4.22Å; S2-Q6 PolarHBondContact O-N 2.9Å; A3-Q6 PolarHBondContact O-N 2.93Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 3.27Å; Q6-A9 PolarHBondContact O-N 3.28Å; Q6-M10 WeakPolarHBondContact O-CB 3.4Å; Q6-M10 PolarHBondContact O-N 2.97Å
7M78.3Confident71.7Confident110 Ų11088.9 Ų88.954%0.54247%0.471SS..Hα-helixtrans-63-39.4174.9-72.8-173.1-72.700112.1A3 M10 L11A3-M7 WeakPolarHBondContact O-CG 3.2Å; A3-M7 PolarHBondContact O-N 2.82Å; M7-M10 PolarHBondContact O-N 3.12Å; M7-L11 WeakPolarHBondContact O-CB 3.25Å; M7-L11 VanDerWaalsContact O-CD1 3.25Å; M7-L11 WeakPolarHBondContact O-CD1 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.36Å
8R76Confident70.7Confident123 Ų12388.7 Ų88.746%0.46448%0.478SS..Hα-helixtrans-61.6-51.4173-76.3173-168.6153.27111.5Q4 Q6 M10 L11 D12Q4-R8 WeakPolarHBondContact O-CB 3.38Å; Q4-R8 WeakPolarHBondContact O-CG 3.37Å; Q4-R8 PolarHBondContact O-N 3.42Å; Q6-R8 VanDerWaalsContact C-N 3.34Å; Q6-R8 PolarHBondContact O-N 3.27Å; R8-M10 VanDerWaalsContact C-N 3.28Å; R8-M10 PolarHBondContact O-N 2.94Å; R8-L11 CarbonylContact O-C 3.58Å; R8-L11 PolarHBondContact O-N 3.47Å; R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 3.4Å
9A74.4Confident69.9Low46 Ų4688.7 Ų88.738%0.3847%0.47SS..Hα-helixtrans-58.3-39.6177.900000112.6A5 Q6 D12 Q13A5-A9 WeakPolarHBondContact O-CB 3.5Å; A5-A9 PolarHBondContact O-N 2.95Å; Q6-A9 PolarHBondContact O-N 3.28Å; A9-D12 PolarHBondContact O-N 3.17Å; A9-Q13 WeakPolarHBondContact O-CB 3.39Å; A9-Q13 WeakPolarHBondContact O-CG 3.14Å; A9-Q13 PolarHBondContact O-N 3.33Å
10M74.3Confident69.2Low117 Ų11789.1 Ų89.158%0.57647%0.473SS*.Hα-helixtrans-64.8-40.7174.4-173.9175.6-177.700111.7Q6 M7 R8 Q13 L14Q6-M10 WeakPolarHBondContact O-CB 3.4Å; Q6-M10 PolarHBondContact O-N 2.97Å; M7-M10 PolarHBondContact O-N 3.12Å; R8-M10 VanDerWaalsContact C-N 3.28Å; R8-M10 PolarHBondContact O-N 2.94Å; M10-Q13 WeakPolarHBondContact O-CB 3.22Å; M10-Q13 PolarHBondContact O-N 2.9Å; M10-L14 HydrophobicContact CE-CD1 4.28Å; M10-L14 HydrophobicContact CG-CD1 3.94Å; M10-L14 VanDerWaalsContact O-CD1 3.27Å; M10-L14 WeakPolarHBondContact O-CD1 3.46Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.15Å
11L71.9Confident68.5Low65 Ų6587.8 Ų87.834%0.3448%0.48SS..Hα-helixtrans-71.8-34.9178.4-69.5159.6000112.6M7 R8 Q13 L14 M15 R19M7-L11 WeakPolarHBondContact O-CB 3.25Å; M7-L11 VanDerWaalsContact O-CD1 3.25Å; M7-L11 WeakPolarHBondContact O-CD1 3.41Å; M7-L11 WeakPolarHBondContact O-CG 3.34Å; M7-L11 PolarHBondContact O-N 3.36Å; R8-L11 CarbonylContact O-C 3.58Å; R8-L11 PolarHBondContact O-N 3.47Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-M15 PolarHBondContact O-N 3.35Å; L11-R19 VanDerWaalsContact CG-NH1 3.34Å
12D72.6Confident68.4Low49 Ų4981.8 Ų81.826%0.26245%0.452SS..Hα-helixtrans-65.8-38.2173.9-65.9-23.4000110.6R8 A9 L14 G16 A66R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 3.4Å; A9-D12 PolarHBondContact O-N 3.17Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.35Å; D12-G16 WeakPolarHBondContact O-CA 3.39Å; D12-G16 PolarHBondContact O-N 3.47Å; D12-A66 HydrophobicContact CB-CB 3.82Å; D12-A66 WeakPolarHBondContact O-CA 3.16Å; D12-A66 WeakPolarHBondContact O-CB 3.46Å
13Q65.5Low67.1Low100 Ų10083.1 Ų83.147%0.46746%0.457SS..Hα-helixtrans-61.8-37.3171.9-76.3170.7100113A9 M10 L11 L65A9-Q13 WeakPolarHBondContact O-CB 3.39Å; A9-Q13 WeakPolarHBondContact O-CG 3.14Å; A9-Q13 PolarHBondContact O-N 3.33Å; M10-Q13 WeakPolarHBondContact O-CB 3.22Å; M10-Q13 PolarHBondContact O-N 2.9Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; Q13-L65 HydrophobicContact CG-CB 3.79Å; Q13-L65 HydrophobicContact CG-CD1 4.04Å
14L65.1Low65.6Low121 Ų12185 Ų8563%0.63446%0.463SS*.Hα-helixtrans-86-34.5-176.3-90.9131.8000113.7M10 L11 D12M10-L14 HydrophobicContact CE-CD1 4.28Å; M10-L14 HydrophobicContact CG-CD1 3.94Å; M10-L14 VanDerWaalsContact O-CD1 3.27Å; M10-L14 WeakPolarHBondContact O-CD1 3.46Å; M10-L14 PolarHBondContact O-N 3.3Å; M10-L14 VanDerWaalsContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 2.94Å; D12-L14 VanDerWaalsContact C-N 3.32Å; D12-L14 PolarHBondContact O-N 3.35Å
15M64.2Low64Low106 Ų10688.2 Ų88.252%0.52247%0.469SS..Hα-helixtrans-1240.9-168.9-55.6-140.4-6500114.8L11 R19L11-M15 PolarHBondContact O-N 3.35Å; M15-R19 HydrophobicContact CB-CB 4.48Å; M15-R19 HydrophobicContact CE-CG 3.81Å
16G61.4Low62.7Low0 Ų092.1 Ų92.10%048%0.482CS..  trans79.7163.4-179.300000113.8D12 S18 R19D12-G16 WeakPolarHBondContact O-CA 3.39Å; D12-G16 PolarHBondContact O-N 3.47Å; G16-S18 PolarHBondContact O-N 2.95Å; G16-S18 VanDerWaalsContact O-N 3.17Å; G16-R19 PolarHBondContact O-N 2.81Å
17T62.9Low61.6Low66 Ų6696.7 Ų96.741%0.40549%0.494SS..G310 helixtrans-67.2-16.3-179.363.10000112.7R19 A66 L67 D70T17-R19 VanDerWaalsContact C-N 3.25Å; T17-R19 PolarHBondContact O-N 3.49Å; T17-A66 HydrophobicContact CG2-CB 3.51Å; T17-L67 HydrophobicContact CG2-CD2 4.31Å; T17-D70 PolarHBondContact N-OD1 3.47Å; T17-D70 PolarHBondContact N-OD2 3.4Å; T17-D70 PolarHBondContact OG1-OD2 3.11Å
18S54.7Low60.6Low85 Ų8593.8 Ų93.859%0.59448%0.481SS*.G310 helixtrans-73.7-10.8-178.1-52.30000114G16 D20 G21 D70G16-S18 PolarHBondContact O-N 2.95Å; G16-S18 VanDerWaalsContact O-N 3.17Å; S18-D20 PolarHBondContact O-N 2.85Å; S18-G21 PolarHBondContact O-N 3.01Å; S18-D70 PolarHBondContact OG-OD1 3.45Å
19R55.8Low60.1Low89 Ų8993.5 Ų93.534%0.33648%0.482SS..G310 helixtrans-57.5-45.8-173.2-171-168.575.7172.9-3.3113.7L11 M15 G16 T17 G21L11-R19 VanDerWaalsContact CG-NH1 3.34Å; M15-R19 HydrophobicContact CB-CB 4.48Å; M15-R19 HydrophobicContact CE-CG 3.81Å; G16-R19 PolarHBondContact O-N 2.81Å; T17-R19 VanDerWaalsContact C-N 3.25Å; T17-R19 PolarHBondContact O-N 3.49Å; R19-G21 PolarHBondContact O-N 3.25Å
20D54.9Low59.6Low96 Ų9693.6 Ų93.651%0.51347%0.474SS..G310 helixtrans-82.72.8-170.9-69.4-8.2000112.3S18 D22S18-D20 PolarHBondContact O-N 2.85Å; D20-D22 HydrophobicContact CB-CB 4.31Å; D20-D22 PolarHBondContact O-N 3.48Å
21G54.5Low59.1Low61 Ų6190.8 Ų90.863%0.62947%0.466SS*.  trans58.910.2-178.600000113.7S18 R19 T23S18-G21 PolarHBondContact O-N 3.01Å; R19-G21 PolarHBondContact O-N 3.25Å; G21-T23 VanDerWaalsContact C-N 3.33Å; G21-T23 PolarHBondContact O-N 3.43Å
22D50.7Low59.1Low73 Ų7390.9 Ų90.939%0.3947%0.467SS..  trans-85.780.8-166.3-151.4-4.1000109D20 T24 R25D20-D22 HydrophobicContact CB-CB 4.31Å; D20-D22 PolarHBondContact O-N 3.48Å; D22-T24 PolarHBondContact O-N 2.66Å; D22-T24 PolarHBondContact OD1-OG1 2.66Å; D22-R25 PolarHBondContact O-N 3.02Å; D22-R25 VanDerWaalsContact O-N 3.12Å
23T50.4Low59.1Low103 Ų10394.2 Ų94.263%0.63249%0.485SS*.G310 helixtrans-50.7-19.3173.251.50000113.4G21 Q26G21-T23 VanDerWaalsContact C-N 3.33Å; G21-T23 PolarHBondContact O-N 3.43Å; T23-Q26 WeakPolarHBondContact O-CG 3.49Å; T23-Q26 PolarHBondContact O-NE2 3.35Å
24T50.1Low59.4Low105 Ų10598.7 Ų98.764%0.64450%0.498SS*.G310 helixtrans-80.3-19.8-177.370.70000114.2D22D22-T24 PolarHBondContact O-N 2.66Å; D22-T24 PolarHBondContact OD1-OG1 2.66Å
25R48.6Very low59.8Low184 Ų18493 Ų9369%0.69447%0.468SS*.G310 helixtrans-113.127.5-179.6-64.3-174.2179.9177.83.2113.3D22 R27D22-R25 PolarHBondContact O-N 3.02Å; D22-R25 VanDerWaalsContact O-N 3.12Å; R25-R27 PolarHBondContact O-N 3.32Å
26Q50.7Low60.3Low115 Ų11588.1 Ų88.154%0.53744%0.444SS..  trans-58.572.1162.8-66.7172.713.300109.7T23 I28T23-Q26 WeakPolarHBondContact O-CG 3.49Å; T23-Q26 PolarHBondContact O-NE2 3.35Å; Q26-I28 VanDerWaalsContact C-N 3.31Å
27R56.4Low61.1Low217 Ų21789.4 Ų89.482%0.81945%0.45SS*.  trans-71.1-33.6-176.7-84.8-76.7-179.7-108.52.5110R25R25-R27 PolarHBondContact O-N 3.32Å
28I58.6Low61.5Low49 Ų4986.4 Ų86.425%0.25143%0.432SS..  trans-156.2133.7176.5-52.4179.6000107.6Q26 D32 V35 V62 L67Q26-I28 VanDerWaalsContact C-N 3.31Å; I28-D32 HydrophobicContact CG2-CB 3.85Å; I28-D32 WeakPolarHBondContact CG2-OD2 3.33Å; I28-V35 HydrophobicContact CG2-CG2 3.41Å; I28-V35 VanDerWaalsContact CG2-CG2 3.41Å; I28-V62 HydrophobicContact CD1-CB 4.26Å; I28-V62 HydrophobicContact CD1-CG1 4.11Å; I28-V62 HydrophobicContact CD1-CG2 3.86Å; I28-L67 HydrophobicContact CG2-CD1 4.47Å
29K64.6Low62.5Low116 Ų11682.7 Ų82.750%0.50441%0.405SS..  trans-84150.4170.5-69.3178.9-179.7176.30109.2S31 D32K29-S31 PolarHBondContact O-N 3.27Å; K29-D32 PolarHBondContact N-OD2 2.86Å; K29-D32 WeakPolarHBondContact O-CB 3.44Å; K29-D32 PolarHBondContact O-N 3.46Å
30F63.5Low63.2Low48 Ų4878.6 Ų78.621%0.21139%0.39CS..THydrogen-bonded Turntrans-57.2-19.4172.464.6-95.7000113.1D70 A74 F80 F82F30-D70 HydrophobicContact CD1-CB 4.25Å; F30-A74 HydrophobicContact CE1-CB 4.5Å; F30-A74 HydrophobicContact CE2-CB 4.27Å; F30-A74 HydrophobicContact CZ-CB 3.98Å; F30-F80 HydrophobicContact CE2-CE1 4.07Å; F30-F80 HydrophobicContact CE2-CE2 4.14Å; F30-F80 AromaticContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CZ-CZ 4.13Å; F30-F82 HydrophobicContact CD2-CE2 4.3Å
31S63.2Low63.9Low58 Ų5875.9 Ų75.941%0.40638%0.375SS..THydrogen-bonded Turntrans-83.8-9177.1-42.90000114.8K29K29-S31 PolarHBondContact O-N 3.27Å
32D72.3Confident64.6Low67 Ų6777 Ų7736%0.35837%0.366SS..SBendtrans-73138.4-176.4-70-33.7000111.3I28 K29 R34 V35I28-D32 HydrophobicContact CG2-CB 3.85Å; I28-D32 WeakPolarHBondContact CG2-OD2 3.33Å; K29-D32 PolarHBondContact N-OD2 2.86Å; K29-D32 WeakPolarHBondContact O-CB 3.44Å; K29-D32 PolarHBondContact O-N 3.46Å; D32-R34 PolarHBondContact O-N 3.46Å; D32-V35 HydrophobicContact CB-CG2 4.46Å; D32-V35 PolarHBondContact O-N 3.15Å
33D72.3Confident65.4Low120 Ų12073.7 Ų73.764%0.64235%0.349SS*.THydrogen-bonded Turntrans-61.1-15-179.3-69.3-39.7000114.4V35 K37 K61D33-V35 VanDerWaalsContact C-N 3.33Å; D33-K37 IonicContact OD1-NZ 2.91Å; D33-K61 PolarHBondContact O-NZ 3.01Å
34R71.6Confident66.7Low193 Ų19368.8 Ų68.873%0.72832%0.319SS*.THydrogen-bonded Turntrans-74.9-21.8175.4-62.2-177.2-177.7-170.8-0112.7D32 K61 V62D32-R34 PolarHBondContact O-N 3.46Å; R34-K61 CarbonylContact O-C 3.57Å; R34-K61 VanDerWaalsContact O-CA 3.27Å; R34-K61 WeakPolarHBondContact O-CA 3.27Å; R34-K61 VanDerWaalsContact O-CB 3.3Å; R34-K61 WeakPolarHBondContact O-CB 3.32Å; R34-V62 PolarHBondContact O-N 3.15Å
35V74.2Confident67.8Low2 Ų264.2 Ų64.21%0.01229%0.291CS..BIsolated β-bridgetrans-83.3137.1178.7-175.50000109I28 D32 D33 K37 L40 L67I28-V35 HydrophobicContact CG2-CG2 3.41Å; I28-V35 VanDerWaalsContact CG2-CG2 3.41Å; D32-V35 HydrophobicContact CB-CG2 4.46Å; D32-V35 PolarHBondContact O-N 3.15Å; D33-V35 VanDerWaalsContact C-N 3.33Å; V35-K37 PolarHBondContact O-N 3.43Å; V35-L40 HydrophobicContact CG1-CD1 4.11Å; V35-L40 HydrophobicContact CG1-CD2 4.07Å; V35-L40 HydrophobicContact CG1-CG 4.1Å; V35-L67 HydrophobicContact CG1-CD1 3.97Å; V35-L67 HydrophobicContact CG2-CD1 3.64Å
36C75.3Confident69.2Low3 Ų358.2 Ų58.22%0.0227%0.271CS..  trans-74.2101.9178.3-165.40000110.2S38 H39 L40 C59 K61 V62 H63C36-S38 PolarHBondContact O-N 2.97Å; C36-S38 PolarHBondContact SG-OG 3.42Å; C36-H39 HydrophobicContact CB-CB 3.64Å; C36-H39 WeakPolarHBondContact O-CB 3.39Å; C36-H39 PolarHBondContact O-N 2.82Å; C36-L40 PolarHBondContact O-N 3.04Å; C36-C59 VanDerWaalsContact SG-SG 3.67Å; C36-K61 HydrophobicContact CB-CB 3.6Å; C36-K61 HydrophobicContact CB-CD 4.28Å; C36-V62 PolarHBondContact N-O 3.17Å; C36-H63 WeakPolarHBondContact CB-CD2 3.23Å; C36-H63 VanDerWaalsContact CB-NE2 3.25Å; C36-H63 WeakPolarHBondContact CB-NE2 3.49Å; C36-H63 PolarHBondContact SG-NE2 2.87Å; C36-H63 VanDerWaalsContact SG-NE2 3.4Å
37K76.9Confident70.7Confident28 Ų2855.7 Ų55.712%0.12226%0.261CS..Hα-helixtrans-56.3-32.6177-61.2174.6-172-178.20112.7D33 V35 L40 F82 D85D33-K37 IonicContact OD1-NZ 2.91Å; V35-K37 PolarHBondContact O-N 3.43Å; K37-L40 PolarHBondContact O-N 2.96Å; K37-F82 HydrophobicContact CB-CB 4.31Å; K37-F82 HydrophobicContact CD-CD1 3.7Å; K37-F82 HydrophobicContact CD-CE1 4.2Å; K37-F82 HydrophobicContact CD-CG 4.35Å; K37-F82 HydrophobicContact CG-CD1 4.08Å; K37-F82 HydrophobicContact CG-CG 4.33Å; K37-D85 HydrophobicContact CD-CB 4.03Å; K37-D85 WeakPolarHBondContact CD-OD2 3.28Å; K37-D85 WeakPolarHBondContact CE-OD2 3.14Å; K37-D85 IonicContact NZ-OD2 3.12Å; K37-D85 PolarHBondContact NZ-OD2 3.49Å
38S72.3Confident71.8Confident3 Ų347 Ų472%0.02123%0.232CC..Hα-helixtrans-75.3-30.4174.853.40000113.2C36 L40 L41 N42 C43 C44C36-S38 PolarHBondContact O-N 2.97Å; C36-S38 PolarHBondContact SG-OG 3.42Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L41 PolarHBondContact O-N 3.41Å; S38-N42 PolarHBondContact O-N 2.86Å; S38-C43 CarbonylContact O-C 3.6Å; S38-C43 PolarHBondContact O-N 3.38Å; S38-C44 PolarHBondContact O-N 3.38Å
39H75Confident72.6Confident7 Ų744.7 Ų44.73%0.03222%0.22CC..Hα-helixtrans-68.7-34171.4-174.386.9000111.5C36 L41 N42 C44 D47 H63 R68C36-H39 HydrophobicContact CB-CB 3.64Å; C36-H39 WeakPolarHBondContact O-CB 3.39Å; C36-H39 PolarHBondContact O-N 2.82Å; H39-L41 PolarHBondContact O-N 2.97Å; H39-N42 PolarHBondContact O-N 2.99Å; H39-C44 HydrophobicContact CB-CB 4.03Å; H39-D47 IonicContact CE1-OD2 3.86Å; H39-D47 PolarHBondContact CE1-OD2 2.89Å; H39-D47 IonicContact ND1-OD2 3.16Å; H39-D47 PolarHBondContact ND1-OD2 3.35Å; H39-D47 VanDerWaalsContact ND1-OD2 3.16Å; H39-H63 AromaticContact CD2-CG 3.87Å; H39-H63 VanDerWaalsContact CE1-CB 3.48Å; H39-H63 WeakPolarHBondContact CE1-CB 3.41Å; H39-H63 AromaticContact CE1-CG 3.52Å; H39-H63 AromaticContact CE1-ND1 3.52Å; H39-H63 AromaticContact CG-CD2 3.54Å; H39-H63 AromaticContact CG-CE1 3.95Å; H39-H63 AromaticContact CG-CG 3.51Å; H39-H63 AromaticContact CG-ND1 3.79Å; H39-H63 AromaticContact CG-NE2 3.81Å; H39-H63 AromaticContact ND1-CD2 3.72Å; H39-H63 AromaticContact ND1-CE1 3.47Å; H39-H63 PolarHBondContact ND1-CE1 3.13Å; H39-H63 AromaticContact ND1-CG 3.28Å; H39-H63 VanDerWaalsContact ND1-CG 3.28Å; H39-H63 AromaticContact ND1-ND1 3.12Å; H39-H63 PolarHBondContact ND1-ND1 3.11Å; H39-H63 VanDerWaalsContact ND1-ND1 3.12Å; H39-H63 AromaticContact ND1-NE2 3.82Å; H39-H63 AromaticContact NE2-CG 3.91Å; H39-R68 PolarHBondContact CD2-NE 3Å; H39-R68 PolarHBondContact CD2-NH2 3.42Å; H39-R68 PolarHBondContact CE1-NH2 3.12Å; H39-R68 PolarHBondContact ND1-NH2 3.03Å; H39-R68 PolarHBondContact NE2-NE 3.47Å; H39-R68 VanDerWaalsContact NE2-NE 3.19Å; H39-R68 PolarHBondContact NE2-NH2 3.46Å; H39-R68 VanDerWaalsContact NE2-NH2 3.11Å; H39-R68 VanDerWaalsContact O-CZ 3.25Å; H39-R68 PolarHBondContact O-NE 3.4Å; H39-R68 PolarHBondContact O-NH2 3.21Å; H39-R68 VanDerWaalsContact O-NH2 3.11Å
40L70.4Confident73.1Confident3 Ų342.5 Ų42.52%0.01622%0.219CC..Hα-helixtrans-58.7-26.8173.5-64.4177.7000112.9V35 C36 K37 S38 L67 R68 Y71V35-L40 HydrophobicContact CG1-CD1 4.11Å; V35-L40 HydrophobicContact CG1-CD2 4.07Å; V35-L40 HydrophobicContact CG1-CG 4.1Å; C36-L40 PolarHBondContact O-N 3.04Å; K37-L40 PolarHBondContact O-N 2.96Å; S38-L40 VanDerWaalsContact C-N 3.34Å; L40-L67 HydrophobicContact CD2-CB 4.05Å; L40-L67 WeakPolarHBondContact CD2-O 3.25Å; L40-R68 HydrophobicContact CD2-CB 4.5Å; L40-R68 HydrophobicContact CD2-CG 4.11Å; L40-Y71 HydrophobicContact CB-CD1 4.13Å; L40-Y71 HydrophobicContact CB-CG 4.32Å; L40-Y71 HydrophobicContact CD1-CG 4.36Å
41L71.2Confident73.4Confident38 Ų3843.4 Ų43.420%0.19924%0.243CC..THydrogen-bonded Turntrans-99.213.4177.8-66.7169000113.2S38 H39 C43 Y71 E83 A86 L228S38-L41 PolarHBondContact O-N 3.41Å; H39-L41 PolarHBondContact O-N 2.97Å; L41-C43 PolarHBondContact O-N 3.39Å; L41-C43 PolarHBondContact O-SG 3.18Å; L41-Y71 HydrophobicContact CD2-CE1 3.66Å; L41-Y71 HydrophobicContact CG-CE1 4.34Å; L41-E83 HydrophobicContact CD1-CG 4.28Å; L41-A86 HydrophobicContact CD1-CB 3.57Å; L41-L228 HydrophobicContact CD1-CD2 4.23Å
42N67.4Low73.8Confident84 Ų8441.3 Ų41.345%0.44923%0.227SC..THydrogen-bonded Turntrans58.820.1-175.3-60.5-43.7000115S38 H39 R68S38-N42 PolarHBondContact O-N 2.86Å; H39-N42 PolarHBondContact O-N 2.99Å; N42-R68 PolarHBondContact OD1-NE 3.12Å; N42-R68 PolarHBondContact OD1-NH1 2.98Å
43C68.1Low73.5Confident4 Ų449.3 Ų49.33%0.02725%0.253CS..  trans-118.919.7-172.9-57.80000112.9S38 L41 P45 L90 K224S38-C43 CarbonylContact O-C 3.6Å; S38-C43 PolarHBondContact O-N 3.38Å; L41-C43 PolarHBondContact O-N 3.39Å; L41-C43 PolarHBondContact O-SG 3.18Å; C43-P45 WeakPolarHBondContact O-CD 3.49Å; C43-L90 HydrophobicContact CB-CD1 3.76Å; C43-L90 HydrophobicContact CB-CD2 4.31Å; C43-L90 HydrophobicContact CB-CG 4.5Å; C43-L90 VanDerWaalsContact O-CD2 3.23Å; C43-L90 WeakPolarHBondContact O-CD2 3.23Å; C43-K224 VanDerWaalsContact SG-CB 3.52Å; C43-K224 VanDerWaalsContact SG-CD 3.58Å; C43-K224 VanDerWaalsContact SG-CG 3.56Å
44C78.5Confident73.1Confident1 Ų146.8 Ų46.81%0.00724%0.238CC..  trans-68.5120.9179.6-165.70000109.3S38 H39 H46 D47 V48 H63S38-C44 PolarHBondContact O-N 3.38Å; H39-C44 HydrophobicContact CB-CB 4.03Å; C44-H46 PolarHBondContact O-N 2.72Å; C44-H46 VanDerWaalsContact O-N 3.1Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 PolarHBondContact O-N 3.22Å; C44-V48 PolarHBondContact O-N 3.42Å; C44-V48 VanDerWaalsContact O-N 3.14Å; C44-H63 VanDerWaalsContact SG-CE1 3.5Å
45P73.8Confident73Confident9 Ų941.6 Ų41.66%0.05822%0.224CC..Hα-helixtrans-56.1-31.5178.2-25.635.4000112.5C43 D47 L49 L56 L90 F93C43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-D47 VanDerWaalsContact C-N 3.34Å; P45-D47 PolarHBondContact O-N 3.27Å; P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 VanDerWaalsContact O-CG 3.3Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.97Å; P45-L56 HydrophobicContact CB-CD1 4.12Å; P45-L90 HydrophobicContact CG-CD2 3.87Å; P45-F93 HydrophobicContact CB-CD1 3.95Å; P45-F93 HydrophobicContact CB-CD2 4.17Å; P45-F93 HydrophobicContact CB-CE1 4.03Å; P45-F93 HydrophobicContact CB-CE2 4.29Å; P45-F93 HydrophobicContact CB-CG 4.02Å; P45-F93 HydrophobicContact CB-CZ 4.22Å; P45-F93 HydrophobicContact CG-CB 4.24Å; P45-F93 HydrophobicContact CG-CD1 4.05Å; P45-F93 HydrophobicContact CG-CD2 4.45Å; P45-F93 HydrophobicContact CG-CG 3.96Å
46H77Confident72.6Confident57 Ų5745.1 Ų45.126%0.26424%0.243SC..Hα-helixtrans-67.5-29.7177.6-65.2-87.8000114.1C44 L56 G57 C59C44-H46 PolarHBondContact O-N 2.72Å; C44-H46 VanDerWaalsContact O-N 3.1Å; H46-L56 VanDerWaalsContact CE1-CB 3.41Å; H46-L56 WeakPolarHBondContact CE1-CB 3.29Å; H46-L56 VanDerWaalsContact ND1-CB 3.29Å; H46-L56 WeakPolarHBondContact ND1-CB 3.48Å; H46-G57 PolarHBondContact ND1-O 3.18Å; H46-C59 HydrophobicContact CB-CB 4.02Å
47D81.2Confident72.6Confident62 Ų6247 Ų4733%0.33226%0.262SS..Hα-helixtrans-86.5-46.9-177.8-162.322.1000110H39 C44 P45 L49 S50 R68H39-D47 IonicContact CE1-OD2 3.86Å; H39-D47 PolarHBondContact CE1-OD2 2.89Å; H39-D47 IonicContact ND1-OD2 3.16Å; H39-D47 PolarHBondContact ND1-OD2 3.35Å; H39-D47 VanDerWaalsContact ND1-OD2 3.16Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 PolarHBondContact O-N 3.22Å; P45-D47 VanDerWaalsContact C-N 3.34Å; P45-D47 PolarHBondContact O-N 3.27Å; D47-L49 PolarHBondContact O-N 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 3.3Å; D47-R68 IonicContact OD2-NH2 3.06Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; D47-R68 VanDerWaalsContact OD2-NH2 3.15Å
48V80Confident72.3Confident34 Ų3454.6 Ų54.621%0.20630%0.298CS..Hα-helixtrans-64.4-40.1178.9178.20000111.7C44 S50 G217 I221C44-V48 PolarHBondContact O-N 3.42Å; C44-V48 VanDerWaalsContact O-N 3.14Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-G217 VanDerWaalsContact CG1-CA 3.46Å; V48-I221 HydrophobicContact CB-CD1 4.22Å; V48-I221 HydrophobicContact CB-CG1 4.41Å; V48-I221 HydrophobicContact CG1-CD1 4.05Å; V48-I221 HydrophobicContact CG1-CG1 4.15Å
49L75.8Confident72.2Confident1 Ų155.7 Ų55.71%0.00531%0.306CS..THydrogen-bonded Turntrans-86.41.8179.9-61.3174.4000113.3P45 D47 G51 T52 F93 F218 I221P45-L49 WeakPolarHBondContact O-CB 3.49Å; P45-L49 VanDerWaalsContact O-CG 3.3Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.97Å; D47-L49 PolarHBondContact O-N 3.31Å; L49-G51 PolarHBondContact O-N 3.19Å; L49-T52 VanDerWaalsContact O-CB 3.28Å; L49-T52 WeakPolarHBondContact O-CB 3.46Å; L49-T52 WeakPolarHBondContact O-CG2 3.48Å; L49-T52 PolarHBondContact O-N 2.94Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.84Å; L49-F93 HydrophobicContact CD1-CE1 3.79Å; L49-F93 HydrophobicContact CD1-CE2 4.35Å; L49-F93 HydrophobicContact CD1-CZ 3.35Å; L49-F218 HydrophobicContact CD1-CE1 4.46Å; L49-F218 HydrophobicContact CD1-CZ 4.46Å; L49-F218 HydrophobicContact CD2-CE2 4.38Å; L49-F218 HydrophobicContact CD2-CZ 4.35Å; L49-I221 HydrophobicContact CD1-CD1 4.43Å; L49-I221 HydrophobicContact CD2-CD1 4.45Å; L49-I221 HydrophobicContact CG-CD1 4.22Å
50S74.4Confident72Confident70 Ų7064 Ų6449%0.4935%0.349SS..THydrogen-bonded Turntrans-60.6131.8-178.265.80000112.7D47 V48 D55D47-S50 WeakPolarHBondContact O-CB 3.18Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 3.3Å; V48-S50 VanDerWaalsContact C-N 3.3Å; S50-D55 VanDerWaalsContact C-OD1 3.3Å; S50-D55 VanDerWaalsContact CA-OD1 3.28Å; S50-D55 WeakPolarHBondContact CA-OD1 3.25Å
51G70Confident72.3Confident68 Ų6867 Ų6770%0.70136%0.363SS*.THydrogen-bonded Turntrans78.518.5-175.900000113.9L49 D55L49-G51 PolarHBondContact O-N 3.19Å; G51-D55 WeakPolarHBondContact CA-OD2 3.5Å; G51-D55 PolarHBondContact N-OD1 2.82Å; G51-D55 PolarHBondContact N-OD2 3.32Å
52T72.5Confident72.6Confident14 Ų1468 Ų689%0.08637%0.37CS..SBendtrans-111.5164.6176.775.60000112.7L49 M54 D55 K213 L214L49-T52 VanDerWaalsContact O-CB 3.28Å; L49-T52 WeakPolarHBondContact O-CB 3.46Å; L49-T52 WeakPolarHBondContact O-CG2 3.48Å; L49-T52 PolarHBondContact O-N 2.94Å; L49-T52 VanDerWaalsContact O-N 3.16Å; L49-T52 PolarHBondContact O-OG1 2.84Å; T52-M54 PolarHBondContact O-N 3.11Å; T52-D55 PolarHBondContact N-OD1 3.12Å; T52-D55 PolarHBondContact N-OD2 3.47Å; T52-D55 WeakPolarHBondContact O-CB 3.27Å; T52-D55 PolarHBondContact O-N 3.19Å; T52-D55 VanDerWaalsContact O-OD2 3.07Å; T52-K213 HydrophobicContact CG2-CB 4.26Å; T52-L214 HydrophobicContact CG2-CD2 3.82Å; T52-L214 HydrophobicContact CG2-CG 3.9Å; T52-L214 VanDerWaalsContact OG1-CD2 3.28Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.3Å
53R65.4Low72.7Confident235 Ų23566.9 Ų66.989%0.88736%0.362SS*.THydrogen-bonded Turntrans-59.9-16.5178.9-66.2-175.5-179.1-176.70.3114.1L214R53-L214 HydrophobicContact CB-CD1 4.28Å
54M63.5Low73.1Confident67 Ų6770 Ų7033%0.3338%0.378SS..THydrogen-bonded Turntrans-107.229.7177.9-62.6-60.1-65.800111.5T52 L56 L214T52-M54 PolarHBondContact O-N 3.11Å; M54-L56 PolarHBondContact O-N 3.16Å; M54-L214 HydrophobicContact CB-CD2 4.36Å; M54-L214 HydrophobicContact CG-CD2 4.38Å
55D70.3Confident72.9Confident84 Ų8473.1 Ų73.145%0.44939%0.394SS..  trans-53.7110.1173.7-80.1-26.6000110.2S50 G51 T52 G57S50-D55 VanDerWaalsContact C-OD1 3.3Å; S50-D55 VanDerWaalsContact CA-OD1 3.28Å; S50-D55 WeakPolarHBondContact CA-OD1 3.25Å; G51-D55 WeakPolarHBondContact CA-OD2 3.5Å; G51-D55 PolarHBondContact N-OD1 2.82Å; G51-D55 PolarHBondContact N-OD2 3.32Å; T52-D55 PolarHBondContact N-OD1 3.12Å; T52-D55 PolarHBondContact N-OD2 3.47Å; T52-D55 WeakPolarHBondContact O-CB 3.27Å; T52-D55 PolarHBondContact O-N 3.19Å; T52-D55 VanDerWaalsContact O-OD2 3.07Å; D55-G57 PolarHBondContact O-N 3.38Å
56L66.6Low72.9Confident76 Ų7672.8 Ų72.840%0.39839%0.392SS..  trans-74.80.6171-62.1167000111.9P45 H46 M54 F93P45-L56 HydrophobicContact CB-CD1 4.12Å; H46-L56 VanDerWaalsContact CE1-CB 3.41Å; H46-L56 WeakPolarHBondContact CE1-CB 3.29Å; H46-L56 VanDerWaalsContact ND1-CB 3.29Å; H46-L56 WeakPolarHBondContact ND1-CB 3.48Å; M54-L56 PolarHBondContact O-N 3.16Å; L56-F93 HydrophobicContact CD1-CD2 4.18Å; L56-F93 HydrophobicContact CD1-CE2 3.58Å; L56-F93 HydrophobicContact CD1-CZ 4.22Å; L56-F93 HydrophobicContact CD2-CE2 4.41Å; L56-F93 HydrophobicContact CG-CE2 4.43Å
57G75Confident72.7Confident42 Ų4270.2 Ų70.243%0.43338%0.381SS..  trans77.1-178.6-169.800000113.1H46 D55H46-G57 PolarHBondContact ND1-O 3.18Å; D55-G57 PolarHBondContact O-N 3.38Å
58E69.2Low72.2Confident187 Ų18768.8 Ų68.887%0.87437%0.371SS*.SBendtrans-60.1140.3175.2-63.2176.7-176.200110.4L60E58-L60 PolarHBondContact O-N 3.07Å
59C71.4Confident71.8Confident27 Ų2767.9 Ų67.918%0.18237%0.367CS..  trans-63.2138.5177.2-164.20000109.8C36 H46 K61 H63C36-C59 VanDerWaalsContact SG-SG 3.67Å; H46-C59 HydrophobicContact CB-CB 4.02Å; C59-K61 PolarHBondContact O-N 3.48Å; C59-H63 WeakPolarHBondContact CB-CE1 3.39Å; C59-H63 WeakPolarHBondContact CB-NE2 3.47Å
60L71Confident72Confident180 Ų18068.4 Ų68.494%0.94237%0.37SS*.SBendtrans-62.9-13.3174-59.4177.1000113E58E58-L60 PolarHBondContact O-N 3.07Å
61K76.4Confident71.9Confident68 Ų6865.4 Ų65.430%0.29635%0.348SS..SBendtrans-104.8147.3-177.7-64.3-172.1-177.1-144.10110.1D33 R34 C36 C59 H63D33-K61 PolarHBondContact O-NZ 3.01Å; R34-K61 CarbonylContact O-C 3.57Å; R34-K61 VanDerWaalsContact O-CA 3.27Å; R34-K61 WeakPolarHBondContact O-CA 3.27Å; R34-K61 VanDerWaalsContact O-CB 3.3Å; R34-K61 WeakPolarHBondContact O-CB 3.32Å; C36-K61 HydrophobicContact CB-CB 3.6Å; C36-K61 HydrophobicContact CB-CD 4.28Å; C59-K61 PolarHBondContact O-N 3.48Å; K61-H63 PolarHBondContact O-CD2 3.32Å; K61-H63 PolarHBondContact O-N 2.79Å
62V76.3Confident72.3Confident59 Ų5967.5 Ų67.536%0.35834%0.339SS..BIsolated β-bridgetrans-65.2125.7-177.8-177.70000109.9I28 R34 C36 D64I28-V62 HydrophobicContact CD1-CB 4.26Å; I28-V62 HydrophobicContact CD1-CG1 4.11Å; I28-V62 HydrophobicContact CD1-CG2 3.86Å; R34-V62 PolarHBondContact O-N 3.15Å; C36-V62 PolarHBondContact N-O 3.17Å; V62-D64 HydrophobicContact CG1-CB 4.46Å
63H69.9Low72.5Confident60 Ų6071.2 Ų71.228%0.27836%0.358SS..  trans-105.595174.3-77.5-167.5000108C36 H39 C44 C59 K61C36-H63 WeakPolarHBondContact CB-CD2 3.23Å; C36-H63 VanDerWaalsContact CB-NE2 3.25Å; C36-H63 WeakPolarHBondContact CB-NE2 3.49Å; C36-H63 PolarHBondContact SG-NE2 2.87Å; C36-H63 VanDerWaalsContact SG-NE2 3.4Å; H39-H63 AromaticContact CD2-CG 3.87Å; H39-H63 VanDerWaalsContact CE1-CB 3.48Å; H39-H63 WeakPolarHBondContact CE1-CB 3.41Å; H39-H63 AromaticContact CE1-CG 3.52Å; H39-H63 AromaticContact CE1-ND1 3.52Å; H39-H63 AromaticContact CG-CD2 3.54Å; H39-H63 AromaticContact CG-CE1 3.95Å; H39-H63 AromaticContact CG-CG 3.51Å; H39-H63 AromaticContact CG-ND1 3.79Å; H39-H63 AromaticContact CG-NE2 3.81Å; H39-H63 AromaticContact ND1-CD2 3.72Å; H39-H63 AromaticContact ND1-CE1 3.47Å; H39-H63 PolarHBondContact ND1-CE1 3.13Å; H39-H63 AromaticContact ND1-CG 3.28Å; H39-H63 VanDerWaalsContact ND1-CG 3.28Å; H39-H63 AromaticContact ND1-ND1 3.12Å; H39-H63 PolarHBondContact ND1-ND1 3.11Å; H39-H63 VanDerWaalsContact ND1-ND1 3.12Å; H39-H63 AromaticContact ND1-NE2 3.82Å; H39-H63 AromaticContact NE2-CG 3.91Å; C44-H63 VanDerWaalsContact SG-CE1 3.5Å; C59-H63 WeakPolarHBondContact CB-CE1 3.39Å; C59-H63 WeakPolarHBondContact CB-NE2 3.47Å; K61-H63 PolarHBondContact O-CD2 3.32Å; K61-H63 PolarHBondContact O-N 2.79Å
64D76.5Confident73Confident68 Ų6860.8 Ų60.836%0.36432%0.322SS..  trans-118.3123.8172.3-165.2-14.4000109.1V62 A66 L67V62-D64 HydrophobicContact CG1-CB 4.46Å; D64-A66 PolarHBondContact O-N 3.02Å; D64-A66 WeakPolarHBondContact OD1-CB 3.13Å; D64-A66 PolarHBondContact OD1-N 3.19Å; D64-L67 HydrophobicContact CB-CB 4.46Å; D64-L67 HydrophobicContact CB-CD1 4Å; D64-L67 HydrophobicContact CB-CG 4.03Å; D64-L67 PolarHBondContact O-N 3.49Å
65L73.8Confident73.5Confident67 Ų6759.3 Ų59.335%0.35132%0.318SS..Hα-helixtrans-65.3-29.2177.4-64.5179.4000111.3Q13 L67 R68 A69Q13-L65 HydrophobicContact CG-CB 3.79Å; Q13-L65 HydrophobicContact CG-CD1 4.04Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.47Å; L65-R68 VanDerWaalsContact CD2-CZ 3.46Å; L65-R68 VanDerWaalsContact O-CB 3.25Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.05Å; L65-R68 VanDerWaalsContact O-N 3.13Å; L65-A69 PolarHBondContact O-N 2.76Å
66A73.8Confident73.6Confident2 Ų263.8 Ų63.82%0.01733%0.333CS..Hα-helixtrans-65.9-37.3178.100000112.2D12 T17 D64 R68 A69 D70D12-A66 HydrophobicContact CB-CB 3.82Å; D12-A66 WeakPolarHBondContact O-CA 3.16Å; D12-A66 WeakPolarHBondContact O-CB 3.46Å; T17-A66 HydrophobicContact CG2-CB 3.51Å; D64-A66 PolarHBondContact O-N 3.02Å; D64-A66 WeakPolarHBondContact OD1-CB 3.13Å; D64-A66 PolarHBondContact OD1-N 3.19Å; A66-R68 PolarHBondContact O-N 3.34Å; A66-A69 PolarHBondContact O-N 3.36Å; A66-D70 PolarHBondContact O-N 2.91Å
67L72.9Confident73.6Confident4 Ų467.6 Ų67.62%0.02135%0.349CS..Hα-helixtrans-68.6-22.7175.3-63.1177000112.4T17 I28 V35 L40 D64 L65 Y71T17-L67 HydrophobicContact CG2-CD2 4.31Å; I28-L67 HydrophobicContact CG2-CD1 4.47Å; V35-L67 HydrophobicContact CG1-CD1 3.97Å; V35-L67 HydrophobicContact CG2-CD1 3.64Å; L40-L67 HydrophobicContact CD2-CB 4.05Å; L40-L67 WeakPolarHBondContact CD2-O 3.25Å; D64-L67 HydrophobicContact CB-CB 4.46Å; D64-L67 HydrophobicContact CB-CD1 4Å; D64-L67 HydrophobicContact CB-CG 4.03Å; D64-L67 PolarHBondContact O-N 3.49Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.47Å; L67-Y71 WeakPolarHBondContact O-CB 3.33Å; L67-Y71 PolarHBondContact O-N 3.43Å
68R72.2Confident72.8Confident31 Ų3171.4 Ų71.412%0.11736%0.356CS..Hα-helixtrans-66.9-48.4172.7-57.1-174.5165.4170-7111.1H39 L40 N42 D47 L65 A66 D70 Y71 E72H39-R68 PolarHBondContact CD2-NE 3Å; H39-R68 PolarHBondContact CD2-NH2 3.42Å; H39-R68 PolarHBondContact CE1-NH2 3.12Å; H39-R68 PolarHBondContact ND1-NH2 3.03Å; H39-R68 PolarHBondContact NE2-NE 3.47Å; H39-R68 VanDerWaalsContact NE2-NE 3.19Å; H39-R68 PolarHBondContact NE2-NH2 3.46Å; H39-R68 VanDerWaalsContact NE2-NH2 3.11Å; H39-R68 VanDerWaalsContact O-CZ 3.25Å; H39-R68 PolarHBondContact O-NE 3.4Å; H39-R68 PolarHBondContact O-NH2 3.21Å; H39-R68 VanDerWaalsContact O-NH2 3.11Å; L40-R68 HydrophobicContact CD2-CB 4.5Å; L40-R68 HydrophobicContact CD2-CG 4.11Å; N42-R68 PolarHBondContact OD1-NE 3.12Å; N42-R68 PolarHBondContact OD1-NH1 2.98Å; D47-R68 IonicContact OD2-NH2 3.06Å; D47-R68 PolarHBondContact OD2-NH2 3.01Å; D47-R68 VanDerWaalsContact OD2-NH2 3.15Å; L65-R68 VanDerWaalsContact CD2-CZ 3.46Å; L65-R68 VanDerWaalsContact O-CB 3.25Å; L65-R68 WeakPolarHBondContact O-CB 3.31Å; L65-R68 PolarHBondContact O-N 3.05Å; L65-R68 VanDerWaalsContact O-N 3.13Å; A66-R68 PolarHBondContact O-N 3.34Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 PolarHBondContact O-N 3.03Å; R68-Y71 CarbonylContact O-C 3.57Å; R68-Y71 WeakPolarHBondContact O-CA 3.41Å; R68-Y71 WeakPolarHBondContact O-CB 3.32Å; R68-Y71 PolarHBondContact O-N 2.99Å; R68-E72 PolarHBondContact O-N 2.68Å
69A71.8Confident72.7Confident16 Ų1666.9 Ų66.913%0.13234%0.337CS..Hα-helixtrans-59.8-41.6178.300000111.2L65 A66 Y71 E72 I73L65-A69 PolarHBondContact O-N 2.76Å; A66-A69 PolarHBondContact O-N 3.36Å; A69-Y71 VanDerWaalsContact C-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.69Å; A69-E72 PolarHBondContact O-N 3.44Å; A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.25Å; A69-I73 PolarHBondContact O-N 3.29Å
70D78.4Confident72.5Confident12 Ų1268.1 Ų68.16%0.06434%0.34CS..Hα-helixtrans-61.6-40.6173.7-68.4-45.4000111.6T17 S18 F30 A66 R68 A74T17-D70 PolarHBondContact N-OD1 3.47Å; T17-D70 PolarHBondContact N-OD2 3.4Å; T17-D70 PolarHBondContact OG1-OD2 3.11Å; S18-D70 PolarHBondContact OG-OD1 3.45Å; F30-D70 HydrophobicContact CD1-CB 4.25Å; A66-D70 PolarHBondContact O-N 2.91Å; R68-D70 VanDerWaalsContact C-N 3.28Å; R68-D70 PolarHBondContact O-N 3.03Å; D70-A74 VanDerWaalsContact O-CB 3.29Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.95Å
71Y73.6Confident72.4Confident7 Ų765.2 Ų65.23%0.02732%0.32CS..Hα-helixtrans-67.8-40.5176.1176.3-105.6000113.3L40 L41 L67 R68 A69 I73 A74 S75 F80 F82L40-Y71 HydrophobicContact CB-CD1 4.13Å; L40-Y71 HydrophobicContact CB-CG 4.32Å; L40-Y71 HydrophobicContact CD1-CG 4.36Å; L41-Y71 HydrophobicContact CD2-CE1 3.66Å; L41-Y71 HydrophobicContact CG-CE1 4.34Å; L67-Y71 WeakPolarHBondContact O-CB 3.33Å; L67-Y71 PolarHBondContact O-N 3.43Å; R68-Y71 CarbonylContact O-C 3.57Å; R68-Y71 WeakPolarHBondContact O-CA 3.41Å; R68-Y71 WeakPolarHBondContact O-CB 3.32Å; R68-Y71 PolarHBondContact O-N 2.99Å; A69-Y71 VanDerWaalsContact C-N 3.34Å; A69-Y71 PolarHBondContact O-N 2.69Å; Y71-I73 VanDerWaalsContact C-N 3.27Å; Y71-I73 PolarHBondContact O-N 2.69Å; Y71-A74 PolarHBondContact O-N 2.94Å; Y71-S75 WeakPolarHBondContact O-CB 3.28Å; Y71-S75 PolarHBondContact O-N 2.74Å; Y71-F80 HydrophobicContact CD2-CD2 4.42Å; Y71-F80 HydrophobicContact CE2-CB 4.43Å; Y71-F80 HydrophobicContact CE2-CD2 4.01Å; Y71-F82 AromaticContact CD2-CD2 3.75Å; Y71-F82 HydrophobicContact CD2-CD2 3.75Å; Y71-F82 AromaticContact CD2-CE2 3.94Å; Y71-F82 HydrophobicContact CD2-CE2 3.94Å; Y71-F82 AromaticContact CE2-CD2 3.28Å; Y71-F82 HydrophobicContact CE2-CD2 3.28Å; Y71-F82 AromaticContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CG 4.35Å
72E77Confident72.3Confident111 Ų11162.9 Ų62.952%0.51931%0.31SS..Hα-helixtrans-64-34.5177.8-74.1-174.9179.800112.4R68 A69 K76R68-E72 PolarHBondContact O-N 2.68Å; A69-E72 PolarHBondContact O-N 3.44Å; E72-K76 WeakPolarHBondContact O-CG 3.42Å
73I77.3Confident72.4Confident93 Ų9361 Ų6148%0.47730%0.297SS..Hα-helixtrans-69.2-49.9172.2-63.6165.8000109.4A69 Y71 S75 K76A69-I73 VanDerWaalsContact O-CG1 3.32Å; A69-I73 WeakPolarHBondContact O-CG1 3.25Å; A69-I73 PolarHBondContact O-N 3.29Å; Y71-I73 VanDerWaalsContact C-N 3.27Å; Y71-I73 PolarHBondContact O-N 2.69Å; I73-S75 PolarHBondContact O-N 3.21Å; I73-K76 PolarHBondContact O-N 3.47Å
74A76.7Confident72.8Confident15 Ų1561.1 Ų61.112%0.12430%0.299CS..Hα-helixtrans-67-33.9-176.700000113.2F30 D70 Y71 K76 E77 Q78 F80F30-A74 HydrophobicContact CE1-CB 4.5Å; F30-A74 HydrophobicContact CE2-CB 4.27Å; F30-A74 HydrophobicContact CZ-CB 3.98Å; D70-A74 VanDerWaalsContact O-CB 3.29Å; D70-A74 WeakPolarHBondContact O-CB 3.48Å; D70-A74 PolarHBondContact O-N 2.95Å; Y71-A74 PolarHBondContact O-N 2.94Å; A74-K76 PolarHBondContact O-N 2.96Å; A74-E77 PolarHBondContact O-N 3.14Å; A74-Q78 PolarHBondContact O-N 3.45Å; A74-F80 HydrophobicContact CB-CE2 3.62Å; A74-F80 HydrophobicContact CB-CZ 4.09Å
75S73.8Confident73.1Confident36 Ų3660.6 Ų60.625%0.25230%0.297SS..Hα-helixtrans-66.7-21.1179.8-176.80000112.8Y71 I73 E77Y71-S75 WeakPolarHBondContact O-CB 3.28Å; Y71-S75 PolarHBondContact O-N 2.74Å; I73-S75 PolarHBondContact O-N 3.21Å; S75-E77 VanDerWaalsContact C-N 3.35Å
76K72.7Confident73.5Confident178 Ų17857.4 Ų57.477%0.77428%0.28SS*.Hα-helixtrans-75.1-29.7172.2-67.6169.1-175.5169.30111.6E72 I73 A74E72-K76 WeakPolarHBondContact O-CG 3.42Å; I73-K76 PolarHBondContact O-N 3.47Å; A74-K76 PolarHBondContact O-N 2.96Å
77E66Low74Confident157 Ų15758.5 Ų58.573%0.73429%0.285SS*.Hα-helixtrans-90.7-37.2-177.7-60.7-169.4164.900112.3A74 S75A74-E77 PolarHBondContact O-N 3.14Å; S75-E77 VanDerWaalsContact C-N 3.35Å
78Q59.2Low74.7Confident121 Ų12162.3 Ų62.357%0.56531%0.305SS*.  trans-144.2136-174.7-60.5-174.415.200112.7A74 F80A74-Q78 PolarHBondContact O-N 3.45Å; Q78-F80 HydrophobicContact CB-CE1 4.42Å; Q78-F80 HydrophobicContact CB-CE2 3.94Å; Q78-F80 HydrophobicContact CB-CZ 3.87Å; Q78-F80 VanDerWaalsContact O-CD2 3.23Å; Q78-F80 WeakPolarHBondContact O-CD2 3.43Å; Q78-F80 WeakPolarHBondContact O-CE2 3.08Å; Q78-F80 PolarHBondContact O-N 3.35Å
79D65.4Low75.3Confident92 Ų9264.4 Ų64.449%0.49232%0.316SS..  trans-77.6105.2170-78-52.4000110.4F81 K235D79-F81 WeakPolarHBondContact O-CD2 3.41Å; D79-K235 WeakPolarHBondContact OD1-CE 3.48Å; D79-K235 IonicContact OD1-NZ 2.69Å; D79-K235 PolarHBondContact OD1-NZ 3.25Å
80F67.5Low76Confident54 Ų5463.6 Ų63.624%0.23731%0.31CS..  trans-85.6-4.7179.1-66.4-78.1000114.7F30 Y71 A74 Q78 F82F30-F80 HydrophobicContact CE2-CE1 4.07Å; F30-F80 HydrophobicContact CE2-CE2 4.14Å; F30-F80 AromaticContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CE2-CZ 3.84Å; F30-F80 HydrophobicContact CZ-CZ 4.13Å; Y71-F80 HydrophobicContact CD2-CD2 4.42Å; Y71-F80 HydrophobicContact CE2-CB 4.43Å; Y71-F80 HydrophobicContact CE2-CD2 4.01Å; A74-F80 HydrophobicContact CB-CE2 3.62Å; A74-F80 HydrophobicContact CB-CZ 4.09Å; Q78-F80 HydrophobicContact CB-CE1 4.42Å; Q78-F80 HydrophobicContact CB-CE2 3.94Å; Q78-F80 HydrophobicContact CB-CZ 3.87Å; Q78-F80 VanDerWaalsContact O-CD2 3.23Å; Q78-F80 WeakPolarHBondContact O-CD2 3.43Å; Q78-F80 WeakPolarHBondContact O-CE2 3.08Å; Q78-F80 PolarHBondContact O-N 3.35Å; F80-F82 HydrophobicContact CB-CD1 4.23Å; F80-F82 HydrophobicContact CB-CD2 3.67Å; F80-F82 HydrophobicContact CB-CE1 4.13Å; F80-F82 HydrophobicContact CB-CE2 3.51Å; F80-F82 HydrophobicContact CB-CG 4.01Å; F80-F82 HydrophobicContact CB-CZ 3.76Å; F80-F82 HydrophobicContact CD1-CE2 4.43Å; F80-F82 HydrophobicContact CD1-CZ 4.35Å; F80-F82 HydrophobicContact CD2-CE2 4.42Å; F80-F82 HydrophobicContact CG-CD2 4.42Å; F80-F82 AromaticContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CZ 4.18Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F82 VanDerWaalsContact O-N 3.11Å
81F69.2Low76.5Confident119 Ų11967.6 Ų67.652%0.52233%0.328SS..  trans58.915-176-57.9-86000115.3D79 E83 L84D79-F81 WeakPolarHBondContact O-CD2 3.41Å; F81-E83 PolarHBondContact O-N 2.73Å; F81-E83 VanDerWaalsContact O-N 3.12Å; F81-L84 HydrophobicContact CB-CD1 4.26Å; F81-L84 HydrophobicContact CD1-CD1 4.07Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.19Å
82F74.1Confident77.2Confident18 Ų1870.1 Ų70.18%0.07935%0.347CS..Hα-helixtrans-61-20.6173.6-61.1-31.9000113.1F30 K37 Y71 F80 L84 D85 A86F30-F82 HydrophobicContact CD2-CE2 4.3Å; K37-F82 HydrophobicContact CB-CB 4.31Å; K37-F82 HydrophobicContact CD-CD1 3.7Å; K37-F82 HydrophobicContact CD-CE1 4.2Å; K37-F82 HydrophobicContact CD-CG 4.35Å; K37-F82 HydrophobicContact CG-CD1 4.08Å; K37-F82 HydrophobicContact CG-CG 4.33Å; Y71-F82 AromaticContact CD2-CD2 3.75Å; Y71-F82 HydrophobicContact CD2-CD2 3.75Å; Y71-F82 AromaticContact CD2-CE2 3.94Å; Y71-F82 HydrophobicContact CD2-CE2 3.94Å; Y71-F82 AromaticContact CE2-CD2 3.28Å; Y71-F82 HydrophobicContact CE2-CD2 3.28Å; Y71-F82 AromaticContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CE2 3.82Å; Y71-F82 HydrophobicContact CE2-CG 4.35Å; F80-F82 HydrophobicContact CB-CD1 4.23Å; F80-F82 HydrophobicContact CB-CD2 3.67Å; F80-F82 HydrophobicContact CB-CE1 4.13Å; F80-F82 HydrophobicContact CB-CE2 3.51Å; F80-F82 HydrophobicContact CB-CG 4.01Å; F80-F82 HydrophobicContact CB-CZ 3.76Å; F80-F82 HydrophobicContact CD1-CE2 4.43Å; F80-F82 HydrophobicContact CD1-CZ 4.35Å; F80-F82 HydrophobicContact CD2-CE2 4.42Å; F80-F82 HydrophobicContact CG-CD2 4.42Å; F80-F82 AromaticContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CE2 3.88Å; F80-F82 HydrophobicContact CG-CZ 4.18Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F82 VanDerWaalsContact O-N 3.11Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.06Å; F82-D85 PolarHBondContact O-N 3.46Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å
83E78Confident77.7Confident21 Ų2166.2 Ų66.210%0.09833%0.328CS..Hα-helixtrans-58.6-34.7170.8-65.4167-178.800112.8L41 F81 M87 L228 V231 V232 K235L41-E83 HydrophobicContact CD1-CG 4.28Å; F81-E83 PolarHBondContact O-N 2.73Å; F81-E83 VanDerWaalsContact O-N 3.12Å; E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 PolarHBondContact O-N 3.43Å; E83-L228 HydrophobicContact CB-CD2 4.2Å; E83-L228 HydrophobicContact CG-CD2 4.17Å; E83-V231 WeakPolarHBondContact OE2-CG1 3.2Å; E83-V232 HydrophobicContact CB-CG2 4.31Å; E83-K235 IonicContact OE1-NZ 3.23Å; E83-K235 PolarHBondContact OE1-NZ 3.33Å; E83-K235 WeakPolarHBondContact OE2-CD 3.45Å; E83-K235 VanDerWaalsContact OE2-CE 3.25Å; E83-K235 WeakPolarHBondContact OE2-CE 3.42Å; E83-K235 IonicContact OE2-NZ 2.68Å; E83-K235 PolarHBondContact OE2-NZ 2.78Å
84L79.6Confident78.2Confident61 Ų6162.9 Ų62.932%0.31931%0.311SS..Hα-helixtrans-69.7-50.5178.8-66.3178.1000110.7F81 F82 A86 M87 D88 V232F81-L84 HydrophobicContact CB-CD1 4.26Å; F81-L84 HydrophobicContact CD1-CD1 4.07Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.19Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.06Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.71Å; L84-M87 HydrophobicContact CD2-CE 4.47Å; L84-M87 PolarHBondContact O-N 3.39Å; L84-D88 PolarHBondContact O-N 2.71Å; L84-V232 HydrophobicContact CD2-CB 4.35Å; L84-V232 HydrophobicContact CD2-CG1 3.58Å; L84-V232 HydrophobicContact CD2-CG2 3.74Å
85D83Confident78.8Confident58 Ų5863.9 Ų63.931%0.3132%0.319SS..Hα-helixtrans-59.7-41.2177.1-69.3-4.7000110.9K37 F82 D88 H89K37-D85 HydrophobicContact CD-CB 4.03Å; K37-D85 WeakPolarHBondContact CD-OD2 3.28Å; K37-D85 WeakPolarHBondContact CE-OD2 3.14Å; K37-D85 IonicContact NZ-OD2 3.12Å; K37-D85 PolarHBondContact NZ-OD2 3.49Å; F82-D85 PolarHBondContact O-N 3.46Å; D85-D88 PolarHBondContact O-N 2.8Å; D85-H89 WeakPolarHBondContact O-CB 3.48Å; D85-H89 PolarHBondContact O-CD2 3.49Å; D85-H89 VanDerWaalsContact O-CD2 3.25Å; D85-H89 PolarHBondContact O-N 2.64Å
86A81.9Confident79.5Confident0 Ų065.5 Ų65.50%033%0.325CS..Hα-helixtrans-66.6-41.6176.400000112.3L41 F82 L84 H89 L90 L228L41-A86 HydrophobicContact CD1-CB 3.57Å; F82-A86 WeakPolarHBondContact O-CB 3.41Å; F82-A86 PolarHBondContact O-N 3.28Å; L84-A86 VanDerWaalsContact C-N 3.27Å; L84-A86 PolarHBondContact O-N 2.71Å; A86-H89 PolarHBondContact O-N 2.65Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.38Å; A86-L228 HydrophobicContact CB-CD1 4.37Å
87M83.6Confident80.1Confident24 Ų2457.6 Ų57.612%0.11829%0.292CS..Hα-helixtrans-62.1-44.4175-177.6-163.171.900111.1E83 L84 L90 Q91 L225 L228 K229 V232E83-M87 WeakPolarHBondContact O-CB 3.29Å; E83-M87 PolarHBondContact O-N 3.43Å; L84-M87 HydrophobicContact CD2-CE 4.47Å; L84-M87 PolarHBondContact O-N 3.39Å; M87-L90 PolarHBondContact O-N 2.99Å; M87-Q91 WeakPolarHBondContact O-CB 3.41Å; M87-Q91 PolarHBondContact O-N 3.25Å; M87-L225 HydrophobicContact CG-CD2 4.13Å; M87-L228 HydrophobicContact CB-CB 4.43Å; M87-K229 HydrophobicContact CG-CG 4.33Å; M87-K229 HydrophobicContact SD-CG 4.08Å; M87-V232 HydrophobicContact SD-CB 4.46Å; M87-V232 HydrophobicContact SD-CG1 4.5Å; M87-V232 HydrophobicContact SD-CG2 4.27Å
88D86.9Confident81.2Confident84 Ų8452.5 Ų52.545%0.44927%0.27SS..Hα-helixtrans-64.9-41.2179-71.7-19.1000111.6L84 D85 Q91 S92L84-D88 PolarHBondContact O-N 2.71Å; D85-D88 PolarHBondContact O-N 2.8Å; D88-Q91 PolarHBondContact O-N 3.36Å; D88-S92 WeakPolarHBondContact O-CB 3.28Å; D88-S92 PolarHBondContact O-N 3.1Å; D88-S92 PolarHBondContact O-OG 3.44Å
89H85.7Confident82.6Confident75 Ų7554.1 Ų54.135%0.34727%0.271SS..Hα-helixtrans-63.4-42.3174.6-68.6176.9000112.3D85 A86 S92 F93D85-H89 WeakPolarHBondContact O-CB 3.48Å; D85-H89 PolarHBondContact O-CD2 3.49Å; D85-H89 VanDerWaalsContact O-CD2 3.25Å; D85-H89 PolarHBondContact O-N 2.64Å; A86-H89 PolarHBondContact O-N 2.65Å; H89-S92 WeakPolarHBondContact CA-OG 3.28Å; H89-S92 PolarHBondContact O-OG 3Å; H89-F93 WeakPolarHBondContact O-CB 3.32Å; H89-F93 PolarHBondContact O-N 3.48Å; H89-F93 VanDerWaalsContact O-N 3.07Å
90L85.7Confident83.7Confident0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-74.1-35.5178.5-71.1166.4000112C43 P45 A86 M87 F93 I94 I221 L225 L228C43-L90 HydrophobicContact CB-CD1 3.76Å; C43-L90 HydrophobicContact CB-CD2 4.31Å; C43-L90 HydrophobicContact CB-CG 4.5Å; C43-L90 VanDerWaalsContact O-CD2 3.23Å; C43-L90 WeakPolarHBondContact O-CD2 3.23Å; P45-L90 HydrophobicContact CG-CD2 3.87Å; A86-L90 WeakPolarHBondContact O-CB 3.2Å; A86-L90 VanDerWaalsContact O-CG 3.28Å; A86-L90 WeakPolarHBondContact O-CG 3.26Å; A86-L90 PolarHBondContact O-N 3.38Å; M87-L90 PolarHBondContact O-N 2.99Å; L90-F93 PolarHBondContact O-N 3.17Å; L90-I94 WeakPolarHBondContact O-CG1 3.18Å; L90-I94 PolarHBondContact O-N 3.26Å; L90-I221 HydrophobicContact CD2-CG2 3.8Å; L90-L225 VanDerWaalsContact C-CD1 3.48Å; L90-L225 HydrophobicContact CB-CD1 3.63Å; L90-L225 HydrophobicContact CB-CD2 3.3Å; L90-L225 HydrophobicContact CB-CG 3.38Å; L90-L225 HydrophobicContact CD1-CD2 3.93Å; L90-L225 HydrophobicContact CD1-CG 4.01Å; L90-L225 HydrophobicContact CG-CD2 4.28Å; L90-L225 HydrophobicContact CG-CG 4.27Å; L90-L225 WeakPolarHBondContact O-CD1 3.46Å; L90-L228 HydrophobicContact CD1-CD1 3.53Å
91Q89.5Confident84.6Confident95 Ų9553.8 Ų53.844%0.44426%0.262SS..Hα-helixtrans-67.3-41.1178.3-178.3175-19.400111M87 D88 A95M87-Q91 WeakPolarHBondContact O-CB 3.41Å; M87-Q91 PolarHBondContact O-N 3.25Å; D88-Q91 PolarHBondContact O-N 3.36Å; Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.99Å
92S88.2Confident85.6Confident61 Ų6153 Ų5343%0.42726%0.26SS..Hα-helixtrans-62.4-43.7171.148.60000111.3D88 H89 A95 D96D88-S92 WeakPolarHBondContact O-CB 3.28Å; D88-S92 PolarHBondContact O-N 3.1Å; D88-S92 PolarHBondContact O-OG 3.44Å; H89-S92 WeakPolarHBondContact CA-OG 3.28Å; H89-S92 PolarHBondContact O-OG 3Å; S92-A95 PolarHBondContact O-N 2.96Å; S92-D96 PolarHBondContact O-N 2.85Å
93F86.8Confident86.4Confident29 Ų2955.4 Ų55.413%0.12728%0.276CS..Hα-helixtrans-61.8-46.6177.2-174.2-106.6000113.3P45 L49 L56 H89 L90 D96 C97 F218 I221P45-F93 HydrophobicContact CB-CD1 3.95Å; P45-F93 HydrophobicContact CB-CD2 4.17Å; P45-F93 HydrophobicContact CB-CE1 4.03Å; P45-F93 HydrophobicContact CB-CE2 4.29Å; P45-F93 HydrophobicContact CB-CG 4.02Å; P45-F93 HydrophobicContact CB-CZ 4.22Å; P45-F93 HydrophobicContact CG-CB 4.24Å; P45-F93 HydrophobicContact CG-CD1 4.05Å; P45-F93 HydrophobicContact CG-CD2 4.45Å; P45-F93 HydrophobicContact CG-CG 3.96Å; L49-F93 HydrophobicContact CD1-CE1 3.79Å; L49-F93 HydrophobicContact CD1-CE2 4.35Å; L49-F93 HydrophobicContact CD1-CZ 3.35Å; L56-F93 HydrophobicContact CD1-CD2 4.18Å; L56-F93 HydrophobicContact CD1-CE2 3.58Å; L56-F93 HydrophobicContact CD1-CZ 4.22Å; L56-F93 HydrophobicContact CD2-CE2 4.41Å; L56-F93 HydrophobicContact CG-CE2 4.43Å; H89-F93 WeakPolarHBondContact O-CB 3.32Å; H89-F93 PolarHBondContact O-N 3.48Å; H89-F93 VanDerWaalsContact O-N 3.07Å; L90-F93 PolarHBondContact O-N 3.17Å; F93-D96 PolarHBondContact O-N 2.87Å; F93-C97 VanDerWaalsContact CZ-SG 3.57Å; F93-C97 PolarHBondContact O-N 2.97Å; F93-C97 PolarHBondContact O-SG 3.16Å; F93-F218 HydrophobicContact CE1-CD1 4.46Å; F93-F218 AromaticContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CZ-CE1 4.13Å; F93-I221 HydrophobicContact CD1-CG2 4.35Å; F93-I221 HydrophobicContact CE1-CD1 4.13Å
94I87.9Confident86.9Confident23 Ų2355 Ų5512%0.11828%0.276CS..Hα-helixtrans-66.1-41.4176.2-69.9-160.4000111L90 D96 C97 D98 I221 R222 L225L90-I94 WeakPolarHBondContact O-CG1 3.18Å; L90-I94 PolarHBondContact O-N 3.26Å; I94-D96 VanDerWaalsContact C-N 3.26Å; I94-D96 PolarHBondContact O-N 3.27Å; I94-C97 CarbonylContact O-C 3.51Å; I94-C97 PolarHBondContact O-N 2.97Å; I94-C97 VanDerWaalsContact O-N 3.09Å; I94-D98 VanDerWaalsContact CG2-OD2 3.24Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.43Å; I94-D98 WeakPolarHBondContact O-CB 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; I94-I221 HydrophobicContact CD1-CG2 4.09Å; I94-I221 HydrophobicContact CG1-CG2 4.08Å; I94-R222 HydrophobicContact CD1-CB 4.31Å; I94-R222 HydrophobicContact CD1-CG 3.55Å; I94-L225 HydrophobicContact CB-CD1 4.02Å; I94-L225 HydrophobicContact CD1-CB 4.41Å; I94-L225 HydrophobicContact CD1-CD1 3.19Å; I94-L225 HydrophobicContact CD1-CG 4.24Å; I94-L225 HydrophobicContact CG1-CD1 3.53Å
95A89.7Confident87.3Confident35 Ų3555.9 Ų55.929%0.28928%0.277SS..Hα-helixtrans-59.3-39.5176.400000111.7Q91 S92 R99Q91-A95 WeakPolarHBondContact O-CB 3.23Å; Q91-A95 PolarHBondContact O-N 2.99Å; S92-A95 PolarHBondContact O-N 2.96Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 WeakPolarHBondContact O-CD 3.37Å; A95-R99 WeakPolarHBondContact O-CG 3.23Å; A95-R99 PolarHBondContact O-N 3.35Å
96D88.4Confident87.6Confident70 Ų7059.2 Ų59.237%0.37429%0.289SS..Hα-helixtrans-70.3-35.5175.3-70.9-23.4000112.4S92 F93 I94 R99 R100S92-D96 PolarHBondContact O-N 2.85Å; F93-D96 PolarHBondContact O-N 2.87Å; I94-D96 VanDerWaalsContact C-N 3.26Å; I94-D96 PolarHBondContact O-N 3.27Å; D96-R99 IonicContact OD1-NH1 3.61Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3Å
97C85Confident87.8Confident12 Ų1266.6 Ų66.68%0.08132%0.317CS..Hα-helixtrans-66.6-47.5173.4-66.90000111.8F93 I94 R99 R100 T101 F218F93-C97 VanDerWaalsContact CZ-SG 3.57Å; F93-C97 PolarHBondContact O-N 2.97Å; F93-C97 PolarHBondContact O-SG 3.16Å; I94-C97 CarbonylContact O-C 3.51Å; I94-C97 PolarHBondContact O-N 2.97Å; I94-C97 VanDerWaalsContact O-N 3.09Å; C97-R99 PolarHBondContact O-N 2.94Å; C97-R100 CarbonylContact O-C 3.6Å; C97-R100 WeakPolarHBondContact O-CA 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.36Å; C97-R100 PolarHBondContact O-N 3.32Å; C97-R100 VanDerWaalsContact O-N 3.1Å; C97-T101 VanDerWaalsContact O-CG2 3.32Å; C97-T101 WeakPolarHBondContact O-CG2 3.22Å; C97-T101 PolarHBondContact O-N 3.35Å; C97-F218 HydrophobicContact CB-CE1 4.4Å
98D89.1Confident87.6Confident51 Ų5166.5 Ų66.527%0.27332%0.317SS..Hα-helixtrans-63-43.8178.8-70.5-21.1000110.2I94 R100 T101 E102 R222I94-D98 VanDerWaalsContact CG2-OD2 3.24Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.43Å; I94-D98 WeakPolarHBondContact O-CB 3.3Å; I94-D98 PolarHBondContact O-N 2.84Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 2.82Å; D98-T101 WeakPolarHBondContact CA-OG1 3.34Å; D98-T101 CarbonylContact O-C 3.5Å; D98-T101 PolarHBondContact O-N 3.49Å; D98-T101 PolarHBondContact O-OG1 2.63Å; D98-E102 WeakPolarHBondContact O-CG 3.3Å; D98-E102 PolarHBondContact O-N 3.04Å; D98-R222 IonicContact OD1-CZ 3.61Å; D98-R222 IonicContact OD1-NH2 2.71Å; D98-R222 PolarHBondContact OD1-NH2 3.34Å
99R90Very high87.5Confident155 Ų15564.4 Ų64.459%0.58531%0.311SS*.Hα-helixtrans-55.5-44.2171.2-76.1167.1-177.1170.2-2.8112.2A95 D96 C97 E102 V103A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.39Å; A95-R99 WeakPolarHBondContact O-CD 3.37Å; A95-R99 WeakPolarHBondContact O-CG 3.23Å; A95-R99 PolarHBondContact O-N 3.35Å; D96-R99 IonicContact OD1-NH1 3.61Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; C97-R99 PolarHBondContact O-N 2.94Å; R99-E102 PolarHBondContact O-N 2.85Å; R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.4Å
100R87.1Confident87.6Confident132 Ų13265.9 Ų65.950%0.49832%0.318SS..Hα-helixtrans-64-41.1176-73169.7-176-164.31.6111.5D96 C97 D98 A104D96-R100 WeakPolarHBondContact O-CB 3.26Å; D96-R100 WeakPolarHBondContact O-CG 3.38Å; D96-R100 PolarHBondContact O-N 3Å; C97-R100 CarbonylContact O-C 3.6Å; C97-R100 WeakPolarHBondContact O-CA 3.3Å; C97-R100 WeakPolarHBondContact O-CB 3.36Å; C97-R100 PolarHBondContact O-N 3.32Å; C97-R100 VanDerWaalsContact O-N 3.1Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 2.82Å; R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.21Å
101T87.9Confident87.4Confident6 Ų668 Ų684%0.03733%0.331CS..Hα-helixtrans-65.1-40.217669.60000111.7C97 D98 A104 K105C97-T101 VanDerWaalsContact O-CG2 3.32Å; C97-T101 WeakPolarHBondContact O-CG2 3.22Å; C97-T101 PolarHBondContact O-N 3.35Å; D98-T101 WeakPolarHBondContact CA-OG1 3.34Å; D98-T101 CarbonylContact O-C 3.5Å; D98-T101 PolarHBondContact O-N 3.49Å; D98-T101 PolarHBondContact O-OG1 2.63Å; T101-A104 PolarHBondContact O-N 3.36Å; T101-K105 WeakPolarHBondContact O-CB 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.8Å
102E90.1Very high86.8Confident103 Ų10367.6 Ų67.648%0.48133%0.329SS..Hα-helixtrans-65.9-44.4178.2-74.5178.4-175.800111.5D98 R99 A104 K105 K106D98-E102 WeakPolarHBondContact O-CG 3.3Å; D98-E102 PolarHBondContact O-N 3.04Å; R99-E102 PolarHBondContact O-N 2.85Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.44Å; E102-K105 PolarHBondContact O-N 3.11Å; E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.25Å; E102-K106 PolarHBondContact O-N 3.5Å
103V90.4Very high86.5Confident69 Ų6970.9 Ų70.942%0.41834%0.338SS..Hα-helixtrans-62.4-42.9175.2171.60000110.7R99 K106 R107R99-V103 VanDerWaalsContact O-CG2 3.3Å; R99-V103 WeakPolarHBondContact O-CG2 3.45Å; R99-V103 PolarHBondContact O-N 3.4Å; V103-K106 PolarHBondContact O-N 2.94Å; V103-R107 HydrophobicContact CG1-CG 4.48Å; V103-R107 WeakPolarHBondContact O-CB 3.07Å; V103-R107 VanDerWaalsContact O-CG 3.25Å; V103-R107 WeakPolarHBondContact O-CG 3.2Å; V103-R107 PolarHBondContact O-N 3.36Å
104A87.9Confident86.2Confident11 Ų1175.3 Ų75.39%0.09136%0.359CS..Hα-helixtrans-64.2-41.2176.700000112.1R100 T101 E102 L108 V189R100-A104 WeakPolarHBondContact O-CB 3.43Å; R100-A104 PolarHBondContact O-N 3.21Å; T101-A104 PolarHBondContact O-N 3.36Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.44Å; A104-L108 PolarHBondContact O-N 2.85Å; A104-V189 HydrophobicContact CB-CG1 4.16Å; A104-V189 HydrophobicContact CB-CG2 4.09Å
105K87.9Confident85.8Confident81 Ų8175.3 Ų75.335%0.35236%0.359SS..Hα-helixtrans-64.1-45.6175.4-76.8174.7-179.2-179.10111.8T101 E102 L108 A109 V189T101-K105 WeakPolarHBondContact O-CB 3.43Å; T101-K105 VanDerWaalsContact O-CG 3.25Å; T101-K105 WeakPolarHBondContact O-CG 3.26Å; T101-K105 PolarHBondContact O-N 2.8Å; E102-K105 PolarHBondContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 2.91Å; K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 3.39Å; K105-V189 HydrophobicContact CG-CB 3.91Å; K105-V189 HydrophobicContact CG-CG1 4.42Å; K105-V189 HydrophobicContact CG-CG2 4.16Å
106K89.2Confident85.3Confident128 Ų12876.2 Ų76.256%0.55736%0.363SS*.Hα-helixtrans-60.8-46.8176.8-75.4176.8-178.7179.60111.3E102 V103 L108 A109 E110E102-K106 WeakPolarHBondContact O-CB 3.37Å; E102-K106 VanDerWaalsContact O-CG 3.3Å; E102-K106 WeakPolarHBondContact O-CG 3.25Å; E102-K106 PolarHBondContact O-N 3.5Å; V103-K106 PolarHBondContact O-N 2.94Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.01Å; K106-A109 PolarHBondContact O-N 3.3Å; K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.21Å; K106-E110 PolarHBondContact O-N 2.92Å
107R86.5Confident85.1Confident154 Ų15475.7 Ų75.758%0.58137%0.368SS*.Hα-helixtrans-58.8-42.8175.6-73.3173.8-177.9-178.90.8112.5V103 T111V103-R107 HydrophobicContact CG1-CG 4.48Å; V103-R107 WeakPolarHBondContact O-CB 3.07Å; V103-R107 VanDerWaalsContact O-CG 3.25Å; V103-R107 WeakPolarHBondContact O-CG 3.2Å; V103-R107 PolarHBondContact O-N 3.36Å; R107-T111 VanDerWaalsContact O-CG2 3.3Å; R107-T111 WeakPolarHBondContact O-CG2 3.39Å; R107-T111 PolarHBondContact O-N 3Å; R107-T111 PolarHBondContact O-OG1 3.31Å
108L80.8Confident84.9Confident23 Ų2380.6 Ų80.612%0.1239%0.39CS..Hα-helixtrans-66-44175.3-75.9-166.4000112.4A104 K105 K106 T111 Q112 L187 V189 Y196A104-L108 PolarHBondContact O-N 2.85Å; K105-L108 PolarHBondContact O-N 2.91Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.01Å; L108-T111 WeakPolarHBondContact CA-OG1 3.43Å; L108-T111 PolarHBondContact O-N 3.46Å; L108-T111 PolarHBondContact O-OG1 3.49Å; L108-Q112 VanDerWaalsContact O-CB 3.24Å; L108-Q112 WeakPolarHBondContact O-CB 3.33Å; L108-Q112 PolarHBondContact O-N 3.39Å; L108-L187 HydrophobicContact CD1-CB 4.15Å; L108-L187 HydrophobicContact CD2-CB 4.46Å; L108-V189 HydrophobicContact CD1-CB 4.48Å; L108-V189 HydrophobicContact CD1-CG2 3.31Å; L108-V189 HydrophobicContact CG-CG2 3.89Å; L108-Y196 HydrophobicContact CD1-CD1 3.77Å; L108-Y196 HydrophobicContact CD1-CE1 3.82Å; L108-Y196 HydrophobicContact CD2-CD1 3.92Å; L108-Y196 HydrophobicContact CD2-CE1 3.51Å; L108-Y196 HydrophobicContact CG-CD1 4.09Å; L108-Y196 HydrophobicContact CG-CE1 3.64Å
109A84.6Confident84.6Confident40 Ų4079.5 Ų79.533%0.33139%0.385SS..Hα-helixtrans-60.5-4717900000110.7K105 K106 T111 Q112 E113K105-A109 WeakPolarHBondContact O-CB 3.39Å; K105-A109 PolarHBondContact O-N 3.39Å; K106-A109 PolarHBondContact O-N 3.3Å; A109-T111 PolarHBondContact O-N 2.78Å; A109-Q112 PolarHBondContact O-N 3.23Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; A109-E113 VanDerWaalsContact O-CB 3.32Å; A109-E113 WeakPolarHBondContact O-CB 3.39Å; A109-E113 VanDerWaalsContact O-CG 3.29Å; A109-E113 WeakPolarHBondContact O-CG 3.24Å; A109-E113 PolarHBondContact O-N 2.91Å
110E87.1Confident84.3Confident105 Ų10574.3 Ų74.349%0.49138%0.375SS..Hα-helixtrans-57.5-49.8174.8-72.1163.8-173.200110.9K106 Q112 E113 E114K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 VanDerWaalsContact O-CG 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.21Å; K106-E110 PolarHBondContact O-N 2.92Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 2.82Å; E110-E113 PolarHBondContact O-N 3.44Å; E110-E114 WeakPolarHBondContact O-CB 3.32Å; E110-E114 VanDerWaalsContact O-CG 3.26Å; E110-E114 WeakPolarHBondContact O-CG 3.25Å; E110-E114 PolarHBondContact O-N 3.27Å
111T82.2Confident84.2Confident46 Ų4670.2 Ų70.228%0.28237%0.37SS..Hα-helixtrans-64.2-34.8177.157.60000113R107 L108 A109 I115R107-T111 VanDerWaalsContact O-CG2 3.3Å; R107-T111 WeakPolarHBondContact O-CG2 3.39Å; R107-T111 PolarHBondContact O-N 3Å; R107-T111 PolarHBondContact O-OG1 3.31Å; L108-T111 WeakPolarHBondContact CA-OG1 3.43Å; L108-T111 PolarHBondContact O-N 3.46Å; L108-T111 PolarHBondContact O-OG1 3.49Å; A109-T111 PolarHBondContact O-N 2.78Å; T111-I115 WeakPolarHBondContact O-CB 3.35Å; T111-I115 VanDerWaalsContact O-CD1 3.27Å; T111-I115 WeakPolarHBondContact O-CD1 3.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.33Å; T111-I115 PolarHBondContact O-N 2.89Å
112Q76.7Confident84Confident86 Ų8671.5 Ų71.540%0.40238%0.375SS..Hα-helixtrans-71.8-40.6178.6-179170.48.200110.9L108 A109 E110 S116 Q185L108-Q112 VanDerWaalsContact O-CB 3.24Å; L108-Q112 WeakPolarHBondContact O-CB 3.33Å; L108-Q112 PolarHBondContact O-N 3.39Å; A109-Q112 PolarHBondContact O-N 3.23Å; A109-Q112 VanDerWaalsContact O-N 3.17Å; E110-Q112 VanDerWaalsContact C-N 3.31Å; E110-Q112 PolarHBondContact O-N 2.82Å; Q112-S116 WeakPolarHBondContact O-CB 3.35Å; Q112-S116 PolarHBondContact O-N 3.47Å; Q112-S116 PolarHBondContact O-OG 3.3Å; Q112-Q185 HydrophobicContact CG-CB 4.44Å; Q112-Q185 HydrophobicContact CG-CG 4.24Å
113E81.2Confident83.8Confident129 Ų12967.6 Ų67.660%0.60336%0.36SS*.Hα-helixtrans-63.5-47.8174.7-76.1177.5-173.900110.5A109 E110 I115 S116 A117A109-E113 VanDerWaalsContact O-CB 3.32Å; A109-E113 WeakPolarHBondContact O-CB 3.39Å; A109-E113 VanDerWaalsContact O-CG 3.29Å; A109-E113 WeakPolarHBondContact O-CG 3.24Å; A109-E113 PolarHBondContact O-N 2.91Å; E110-E113 PolarHBondContact O-N 3.44Å; E113-I115 PolarHBondContact O-N 3.33Å; E113-S116 WeakPolarHBondContact CA-OG 3.29Å; E113-S116 PolarHBondContact O-N 2.87Å; E113-S116 PolarHBondContact O-OG 3.42Å; E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.39Å
114E81.3Confident83.7Confident123 Ų12369.9 Ų69.958%0.57537%0.366SS*.Hα-helixtrans-56.5-51.5175.2-74.7172.8178.900111.7E110 S116 A117 E118E110-E114 WeakPolarHBondContact O-CB 3.32Å; E110-E114 VanDerWaalsContact O-CG 3.26Å; E110-E114 WeakPolarHBondContact O-CG 3.25Å; E110-E114 PolarHBondContact O-N 3.27Å; E114-S116 VanDerWaalsContact C-N 3.32Å; E114-S116 PolarHBondContact O-N 3.46Å; E114-A117 PolarHBondContact O-N 2.84Å; E114-E118 WeakPolarHBondContact O-CB 3.45Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.29Å
115I79Confident83.7Confident23 Ų2375.1 Ų75.112%0.11838%0.384CS..Hα-helixtrans-63.9-40.3178.3-61.8162.4000110.3T111 E113 V119 Q184 Q185T111-I115 WeakPolarHBondContact O-CB 3.35Å; T111-I115 VanDerWaalsContact O-CD1 3.27Å; T111-I115 WeakPolarHBondContact O-CD1 3.37Å; T111-I115 WeakPolarHBondContact O-CG1 3.33Å; T111-I115 PolarHBondContact O-N 2.89Å; E113-I115 PolarHBondContact O-N 3.33Å; I115-V119 HydrophobicContact CG2-CG2 4.34Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 WeakPolarHBondContact O-CG2 3.36Å; I115-V119 PolarHBondContact O-N 3.14Å; I115-Q184 HydrophobicContact CD1-CB 3.97Å; I115-Q185 HydrophobicContact CB-CG 4.33Å; I115-Q185 HydrophobicContact CD1-CG 4.43Å; I115-Q185 HydrophobicContact CG2-CG 4.05Å; I115-Q185 VanDerWaalsContact CG2-NE2 3.27Å
116S80Confident83.7Confident54 Ų5472 Ų7238%0.37837%0.371SS..Hα-helixtrans-67.6-38.6179.973.10000112.7Q112 E113 E114 V119 A120Q112-S116 WeakPolarHBondContact O-CB 3.35Å; Q112-S116 PolarHBondContact O-N 3.47Å; Q112-S116 PolarHBondContact O-OG 3.3Å; E113-S116 WeakPolarHBondContact CA-OG 3.29Å; E113-S116 PolarHBondContact O-N 2.87Å; E113-S116 PolarHBondContact O-OG 3.42Å; E114-S116 VanDerWaalsContact C-N 3.32Å; E114-S116 PolarHBondContact O-N 3.46Å; S116-V119 PolarHBondContact O-N 3.08Å; S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 2.92Å
117A82.7Confident83.7Confident58 Ų5871.2 Ų71.248%0.47937%0.37SS..Hα-helixtrans-69.1-42.3177.800000110.8E113 E114 V119 A120 A121E113-A117 VanDerWaalsContact O-CB 3.28Å; E113-A117 WeakPolarHBondContact O-CB 3.45Å; E113-A117 PolarHBondContact O-N 3.39Å; E114-A117 PolarHBondContact O-N 2.84Å; A117-V119 VanDerWaalsContact C-N 3.34Å; A117-V119 PolarHBondContact O-N 3.28Å; A117-A120 PolarHBondContact O-N 2.91Å; A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 3.37Å
118E81.1Confident84Confident115 Ų11569.1 Ų69.154%0.53737%0.366SS..Hα-helixtrans-62.3-41.3173.9-78.4-163.8-159.300112.7E114 K122E114-E118 WeakPolarHBondContact O-CB 3.45Å; E114-E118 WeakPolarHBondContact O-CG 3.43Å; E114-E118 PolarHBondContact O-N 3.29Å; E118-K122 WeakPolarHBondContact O-CB 3.17Å; E118-K122 WeakPolarHBondContact O-CD 3.32Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.5Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 3.72Å; E118-K122 PolarHBondContact OE2-NZ 2.86Å; E118-K122 VanDerWaalsContact OE2-NZ 3.08Å
119V82.6Confident84.4Confident28 Ų2869.5 Ų69.517%0.1737%0.368CS..Hα-helixtrans-68.4-41.6177.21700000110.6I115 S116 A117 K122 A123 Y173 M177I115-V119 HydrophobicContact CG2-CG2 4.34Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 WeakPolarHBondContact O-CG2 3.36Å; I115-V119 PolarHBondContact O-N 3.14Å; S116-V119 PolarHBondContact O-N 3.08Å; A117-V119 VanDerWaalsContact C-N 3.34Å; A117-V119 PolarHBondContact O-N 3.28Å; V119-K122 PolarHBondContact O-N 2.97Å; V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 2.87Å; V119-Y173 HydrophobicContact CG1-CE2 4Å; V119-M177 HydrophobicContact CG1-CE 3.59Å; V119-M177 HydrophobicContact CG2-CE 4.46Å
120A83.3Confident84.8Confident46 Ų4670.1 Ų70.138%0.3837%0.366SS..Hα-helixtrans-62.8-49177.200000111.6S116 A117 K122 A123 E124S116-A120 VanDerWaalsContact O-CB 3.24Å; S116-A120 WeakPolarHBondContact O-CB 3.38Å; S116-A120 PolarHBondContact O-N 2.92Å; A117-A120 PolarHBondContact O-N 2.91Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.46Å; A120-A123 CarbonylContact O-C 3.5Å; A120-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 PolarHBondContact O-N 3.48Å; A120-A123 VanDerWaalsContact O-N 3.1Å; A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 3.45Å
121A85.6Confident85Confident47 Ų4770.8 Ų70.839%0.38837%0.369SS..Hα-helixtrans-62.8-32.8178.300000112.7A117 R125A117-A121 WeakPolarHBondContact O-CB 3.47Å; A117-A121 PolarHBondContact O-N 3.37Å; A121-R125 WeakPolarHBondContact O-CG 3.35Å; A121-R125 PolarHBondContact O-N 3.5Å
122K82.9Confident85.5Confident33 Ų3373.3 Ų73.314%0.14338%0.378CS..Hα-helixtrans-74.5-37.1174.2-70.9170.5-164.4154.20111.7E118 V119 A120 R125 V126 Y173 S176E118-K122 WeakPolarHBondContact O-CB 3.17Å; E118-K122 WeakPolarHBondContact O-CD 3.32Å; E118-K122 VanDerWaalsContact O-CG 3.23Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.5Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E118-K122 IonicContact OE2-NZ 3.72Å; E118-K122 PolarHBondContact OE2-NZ 2.86Å; E118-K122 VanDerWaalsContact OE2-NZ 3.08Å; V119-K122 PolarHBondContact O-N 2.97Å; A120-K122 VanDerWaalsContact C-N 3.27Å; A120-K122 PolarHBondContact O-N 3.46Å; K122-R125 PolarHBondContact O-N 3.32Å; K122-V126 PolarHBondContact O-N 3.44Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; K122-S176 WeakPolarHBondContact CD-OG 3.42Å; K122-S176 VanDerWaalsContact NZ-CB 3.27Å
123A85.7Confident86.3Confident20 Ų2069.9 Ų69.917%0.16536%0.362CS..Hα-helixtrans-64.9-42.8173.300000111.5V119 A120 R125 V126 H127 Y173V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 2.87Å; A120-A123 CarbonylContact O-C 3.5Å; A120-A123 WeakPolarHBondContact O-CB 3.21Å; A120-A123 PolarHBondContact O-N 3.48Å; A120-A123 VanDerWaalsContact O-N 3.1Å; A123-R125 PolarHBondContact O-N 2.84Å; A123-V126 WeakPolarHBondContact O-CB 3.42Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.11Å; A123-H127 PolarHBondContact O-CD2 2.81Å; A123-H127 PolarHBondContact O-N 3.36Å; A123-Y173 HydrophobicContact CB-CE2 3.9Å
124E88.9Confident86.8Confident117 Ų11765.6 Ų65.655%0.54735%0.352SS..Hα-helixtrans-57.4-46.4175.3-75.7174.8174.300111.5A120 V126 H127 E128A120-E124 WeakPolarHBondContact O-CG 3.28Å; A120-E124 PolarHBondContact O-N 3.45Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.17Å; E124-H127 CarbonylContact O-C 3.57Å; E124-H127 WeakPolarHBondContact O-CA 3.44Å; E124-H127 WeakPolarHBondContact O-CB 3.36Å; E124-H127 PolarHBondContact O-N 3.35Å; E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.12Å
125R87.6Confident87.4Confident121 Ų12165.8 Ų65.846%0.45735%0.351SS..Hα-helixtrans-58.3-38.2174.5-75.4-170.1-73.6160.8-11.4113.4A121 K122 A123 L129A121-R125 WeakPolarHBondContact O-CG 3.35Å; A121-R125 PolarHBondContact O-N 3.5Å; K122-R125 PolarHBondContact O-N 3.32Å; A123-R125 PolarHBondContact O-N 2.84Å; R125-L129 WeakPolarHBondContact O-CG 3.48Å; R125-L129 PolarHBondContact O-N 3.46Å
126V89.1Confident88.1Confident15 Ų1566.1 Ų66.19%0.09135%0.353CS..Hα-helixtrans-68.4-39.3174.8172.90000110.5K122 A123 E124 N130 A169 E170K122-V126 PolarHBondContact O-N 3.44Å; A123-V126 WeakPolarHBondContact O-CB 3.42Å; A123-V126 PolarHBondContact O-N 3.49Å; A123-V126 VanDerWaalsContact O-N 3.11Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.17Å; V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 VanDerWaalsContact O-CG 3.23Å; V126-N130 PolarHBondContact O-N 2.84Å; V126-N130 PolarHBondContact O-ND2 2.86Å; V126-A169 HydrophobicContact CG2-CB 4.14Å; V126-E170 HydrophobicContact CG1-CG 3.86Å; V126-E170 HydrophobicContact CG2-CG 4.12Å
127H89.2Confident88.6Confident113 Ų11365.9 Ų65.952%0.52335%0.348SS..Hα-helixtrans-66-44.4176.2-71.3-58.4000112.6A123 E124 L129 N130 E131A123-H127 PolarHBondContact O-CD2 2.81Å; A123-H127 PolarHBondContact O-N 3.36Å; E124-H127 CarbonylContact O-C 3.57Å; E124-H127 WeakPolarHBondContact O-CA 3.44Å; E124-H127 WeakPolarHBondContact O-CB 3.36Å; E124-H127 PolarHBondContact O-N 3.35Å; H127-L129 PolarHBondContact O-N 2.81Å; H127-N130 WeakPolarHBondContact O-CB 3.37Å; H127-N130 PolarHBondContact O-N 3.15Å; H127-N130 VanDerWaalsContact O-N 3.12Å; H127-E131 WeakPolarHBondContact O-CG 3.33Å; H127-E131 PolarHBondContact O-N 3.07Å
128E91.8Very high89.1Confident110 Ų11065.1 Ų65.151%0.51434%0.341SS..Hα-helixtrans-58.6-48.6176.1-71.4172.3171.500111.5E124 N130 E131 E132E124-E128 WeakPolarHBondContact O-CG 3.45Å; E124-E128 PolarHBondContact O-N 3.12Å; E128-N130 VanDerWaalsContact C-N 3.28Å; E128-N130 PolarHBondContact O-N 2.86Å; E128-E131 PolarHBondContact O-N 2.88Å; E128-E131 VanDerWaalsContact O-N 3.15Å; E128-E132 WeakPolarHBondContact O-CG 3.35Å; E128-E132 PolarHBondContact O-N 3.42Å
129L90.7Very high89.5Confident30 Ų3065.1 Ų65.116%0.15734%0.34CS..Hα-helixtrans-63.3-34.7176-70.4172.9000112.1R125 H127 E132 I133 K165 K166 A169R125-L129 WeakPolarHBondContact O-CG 3.48Å; R125-L129 PolarHBondContact O-N 3.46Å; H127-L129 PolarHBondContact O-N 2.81Å; L129-E132 PolarHBondContact O-N 2.98Å; L129-I133 WeakPolarHBondContact O-CB 3.48Å; L129-I133 WeakPolarHBondContact O-CD1 3.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.16Å; L129-K165 HydrophobicContact CD1-CB 4.46Å; L129-K166 HydrophobicContact CB-CB 4.38Å; L129-A169 HydrophobicContact CD1-CB 3.7Å
130N91.4Very high90Very high54 Ų5464.8 Ų64.829%0.28934%0.337SS..Hα-helixtrans-65-40.6173.9-80.2-48000112V126 H127 E128 G134 K166V126-N130 WeakPolarHBondContact O-CB 3.28Å; V126-N130 VanDerWaalsContact O-CG 3.23Å; V126-N130 PolarHBondContact O-N 2.84Å; V126-N130 PolarHBondContact O-ND2 2.86Å; H127-N130 WeakPolarHBondContact O-CB 3.37Å; H127-N130 PolarHBondContact O-N 3.15Å; H127-N130 VanDerWaalsContact O-N 3.12Å; E128-N130 VanDerWaalsContact C-N 3.28Å; E128-N130 PolarHBondContact O-N 2.86Å; N130-G134 PolarHBondContact O-N 3.27Å; N130-K166 WeakPolarHBondContact OD1-CD 3.36Å; N130-K166 WeakPolarHBondContact OD1-CE 3.12Å; N130-K166 PolarHBondContact OD1-NZ 3.06Å
131E92.9Very high90.3Very high118 Ų11869.6 Ų69.655%0.55135%0.352SS*.Hα-helixtrans-67.2-40.6175.3-70.2-175.9-171.300112.3H127 E128 G134 K135H127-E131 WeakPolarHBondContact O-CG 3.33Å; H127-E131 PolarHBondContact O-N 3.07Å; E128-E131 PolarHBondContact O-N 2.88Å; E128-E131 VanDerWaalsContact O-N 3.15Å; E131-G134 PolarHBondContact O-N 3.46Å; E131-K135 VanDerWaalsContact O-CG 3.32Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.83Å; E131-K135 IonicContact OE2-NZ 3.87Å
132E91.9Very high90.6Very high99 Ų9973.4 Ų73.446%0.46336%0.362SS..Hα-helixtrans-62.2-45.5175.2-73.5-179.2178.500111.8E128 L129 G134 K135 L136E128-E132 WeakPolarHBondContact O-CG 3.35Å; E128-E132 PolarHBondContact O-N 3.42Å; L129-E132 PolarHBondContact O-N 2.98Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.8Å; E132-K135 PolarHBondContact O-N 2.95Å; E132-L136 WeakPolarHBondContact O-CB 3.38Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.32Å
133I92.7Very high90.9Very high14 Ų1473.4 Ų73.47%0.07236%0.363CS..Hα-helixtrans-60.6-42.7174.4-69.7163.4000110.2L129 K135 L136 L137 V159 A162 R163 K166L129-I133 WeakPolarHBondContact O-CB 3.48Å; L129-I133 WeakPolarHBondContact O-CD1 3.44Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.16Å; I133-K135 PolarHBondContact O-N 3.25Å; I133-L136 PolarHBondContact O-N 2.81Å; I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.16Å; I133-L137 VanDerWaalsContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.29Å; I133-V159 HydrophobicContact CG2-CG1 4.45Å; I133-A162 HydrophobicContact CD1-CB 4.48Å; I133-A162 HydrophobicContact CG1-CB 3.8Å; I133-R163 HydrophobicContact CD1-CG 4.02Å; I133-R163 HydrophobicContact CG1-CG 4.47Å; I133-K166 HydrophobicContact CD1-CB 3.81Å; I133-K166 HydrophobicContact CD1-CD 3.63Å; I133-K166 HydrophobicContact CD1-CG 4.28Å
134G92.4Very high91.1Very high39 Ų3974.7 Ų74.740%0.40238%0.378SS..Hα-helixtrans-59.8-43.6175.500000112.9N130 E131 E132 A138N130-G134 PolarHBondContact O-N 3.27Å; E131-G134 PolarHBondContact O-N 3.46Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.8Å; G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 2.76Å
135K94.1Very high91.1Very high127 Ų12773.4 Ų73.455%0.55239%0.388SS*.Hα-helixtrans-66.7-42.3177.1-70.7165.6-171.2161.60112.2E131 E132 I133 K139E131-K135 VanDerWaalsContact O-CG 3.32Å; E131-K135 WeakPolarHBondContact O-CG 3.39Å; E131-K135 PolarHBondContact O-N 2.83Å; E131-K135 IonicContact OE2-NZ 3.87Å; E132-K135 PolarHBondContact O-N 2.95Å; I133-K135 PolarHBondContact O-N 3.25Å; K135-K139 WeakPolarHBondContact O-CG 3.18Å; K135-K139 PolarHBondContact O-N 3.4Å; K135-K139 VanDerWaalsContact O-N 3.14Å
136L92.5Very high91.3Very high30 Ų3074.2 Ų74.216%0.15740%0.397CS..Hα-helixtrans-69.1-40.7178.4-70.5172.4000111.6E132 I133 A138 K139 V140 V155 V159 A162E132-L136 WeakPolarHBondContact O-CB 3.38Å; E132-L136 WeakPolarHBondContact O-CG 3.46Å; E132-L136 PolarHBondContact O-N 3.32Å; I133-L136 PolarHBondContact O-N 2.81Å; L136-A138 PolarHBondContact O-N 2.84Å; L136-K139 WeakPolarHBondContact O-CB 3.38Å; L136-K139 PolarHBondContact O-N 3.34Å; L136-K139 VanDerWaalsContact O-N 3.17Å; L136-V140 WeakPolarHBondContact O-CG2 3.39Å; L136-V140 PolarHBondContact O-N 3.29Å; L136-V155 HydrophobicContact CD2-CG1 4.16Å; L136-V159 HydrophobicContact CB-CG2 3.46Å; L136-V159 VanDerWaalsContact CB-CG2 3.46Å; L136-V159 HydrophobicContact CD1-CG2 4.34Å; L136-A162 HydrophobicContact CD1-CB 4.31Å
137L91.1Very high91.2Very high50 Ų5075.9 Ų75.926%0.26242%0.416SS..Hα-helixtrans-61.6-42.9174.7-75.1171.7000111.8I133 K139 V140 E141 M156 V159I133-L137 HydrophobicContact CG2-CD1 3.64Å; I133-L137 HydrophobicContact CG2-CG 4.16Å; I133-L137 VanDerWaalsContact O-CB 3.29Å; I133-L137 WeakPolarHBondContact O-CB 3.08Å; I133-L137 WeakPolarHBondContact O-CG 3.32Å; I133-L137 PolarHBondContact O-N 3.29Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 2.72Å; L137-V140 WeakPolarHBondContact O-CB 3.35Å; L137-V140 PolarHBondContact O-N 2.78Å; L137-E141 WeakPolarHBondContact O-CG 3.45Å; L137-E141 PolarHBondContact O-N 3.43Å; L137-M156 HydrophobicContact CD2-SD 4.49Å; L137-V159 HydrophobicContact CD2-CG1 3.85Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.16Å; L137-V159 HydrophobicContact CG-CG2 4.43Å
138A92.7Very high91.2Very high42 Ų4273.8 Ų73.835%0.34741%0.409SS..Hα-helixtrans-61.2-37.1174.600000112.5G134 L136 E141 Q142G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 2.76Å; L136-A138 PolarHBondContact O-N 2.84Å; A138-E141 PolarHBondContact O-N 2.9Å; A138-Q142 WeakPolarHBondContact O-CG 3.31Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.09Å
139K90.7Very high90.9Very high115 Ų11572.7 Ų72.750%0.541%0.41SS..Hα-helixtrans-66.6-40.3173.8-71.8175.2-177.9-178.40112.3K135 L136 L137 E141 Q142 L143K135-K139 WeakPolarHBondContact O-CG 3.18Å; K135-K139 PolarHBondContact O-N 3.4Å; K135-K139 VanDerWaalsContact O-N 3.14Å; L136-K139 WeakPolarHBondContact O-CB 3.38Å; L136-K139 PolarHBondContact O-N 3.34Å; L136-K139 VanDerWaalsContact O-N 3.17Å; L137-K139 VanDerWaalsContact C-N 3.29Å; L137-K139 PolarHBondContact O-N 2.72Å; K139-E141 VanDerWaalsContact C-N 3.33Å; K139-Q142 PolarHBondContact O-N 2.79Å; K139-L143 WeakPolarHBondContact O-CG 3.37Å; K139-L143 PolarHBondContact O-N 2.77Å
140V92.2Very high90.9Very high20 Ų2078.3 Ų78.312%0.12144%0.435CS..Hα-helixtrans-61.3-44.4175172.30000110.6L136 L137 Q142 L143 G144 V155 M156 V159L136-V140 WeakPolarHBondContact O-CG2 3.39Å; L136-V140 PolarHBondContact O-N 3.29Å; L137-V140 WeakPolarHBondContact O-CB 3.35Å; L137-V140 PolarHBondContact O-N 2.78Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.35Å; V140-L143 PolarHBondContact O-N 2.85Å; V140-G144 PolarHBondContact O-N 2.9Å; V140-V155 HydrophobicContact CG2-CB 3.84Å; V140-V155 HydrophobicContact CG2-CG1 3.53Å; V140-M156 HydrophobicContact CB-CG 4.35Å; V140-M156 HydrophobicContact CB-SD 4.13Å; V140-M156 HydrophobicContact CG1-CG 3.59Å; V140-M156 HydrophobicContact CG1-SD 3.6Å; V140-M156 HydrophobicContact CG2-CG 3.78Å; V140-M156 HydrophobicContact CG2-SD 3.73Å; V140-V159 HydrophobicContact CG2-CG2 4.34Å
141E89.4Confident90.7Very high148 Ų14880.5 Ų80.569%0.69244%0.444SS*.Hα-helixtrans-61.6-40.5178-72.4176.4176.100111.9L137 A138 K139 A145L137-E141 WeakPolarHBondContact O-CG 3.45Å; L137-E141 PolarHBondContact O-N 3.43Å; A138-E141 PolarHBondContact O-N 2.9Å; K139-E141 VanDerWaalsContact C-N 3.33Å; E141-A145 PolarHBondContact O-N 3.48Å
142Q91.7Very high90.5Very high127 Ų12775.6 Ų75.659%0.59342%0.422SS*.Hα-helixtrans-64.8-50.9175.5-73175.2-3.500112.4A138 K139 V140 G144 A145 E146A138-Q142 WeakPolarHBondContact O-CG 3.31Å; A138-Q142 PolarHBondContact O-N 2.76Å; A138-Q142 VanDerWaalsContact O-N 3.09Å; K139-Q142 PolarHBondContact O-N 2.79Å; V140-Q142 VanDerWaalsContact C-N 3.32Å; V140-Q142 PolarHBondContact O-N 3.35Å; Q142-G144 VanDerWaalsContact C-N 3.25Å; Q142-G144 PolarHBondContact O-N 3.26Å; Q142-A145 WeakPolarHBondContact O-CB 3.32Å; Q142-A145 PolarHBondContact O-N 2.85Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; Q142-E146 PolarHBondContact O-N 3.36Å
143L91.1Very high90.4Very high33 Ų3376.4 Ų76.417%0.17343%0.426CS..Hα-helixtrans-63.8-32.7177.9-69.1171000112.1K139 V140 E146 G147 N148 E151 V155K139-L143 WeakPolarHBondContact O-CG 3.37Å; K139-L143 PolarHBondContact O-N 2.77Å; V140-L143 PolarHBondContact O-N 2.85Å; L143-E146 PolarHBondContact O-N 2.94Å; L143-G147 PolarHBondContact O-N 3.44Å; L143-N148 PolarHBondContact O-N 2.92Å; L143-N148 VanDerWaalsContact O-N 3.08Å; L143-E151 HydrophobicContact CD1-CB 4.35Å; L143-V155 HydrophobicContact CD1-CG2 3.95Å
144G89.5Confident90.3Very high46 Ų4682 Ų8247%0.47445%0.45SS..Hα-helixtrans-66.8-36.8173.300000112.8V140 Q142 G147V140-G144 PolarHBondContact O-N 2.9Å; Q142-G144 VanDerWaalsContact C-N 3.25Å; Q142-G144 PolarHBondContact O-N 3.26Å; G144-G147 PolarHBondContact O-N 2.95Å
145A88.7Confident90.3Very high91 Ų9181.3 Ų81.375%0.75244%0.438SS*.Hα-helixtrans-70.5-33.3173.800000112.7E141 Q142 G147E141-A145 PolarHBondContact O-N 3.48Å; Q142-A145 WeakPolarHBondContact O-CB 3.32Å; Q142-A145 PolarHBondContact O-N 2.85Å; Q142-A145 VanDerWaalsContact O-N 3.1Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 3.37Å
146E90.8Very high90Very high138 Ų13878.4 Ų78.465%0.64543%0.427SS*.Hα-helixtrans-73.7-15.5174.6-69.1175.9-179.700113.1Q142 L143Q142-E146 PolarHBondContact O-N 3.36Å; L143-E146 PolarHBondContact O-N 2.94Å
147G88Confident90Very high49 Ų4981.1 Ų81.151%0.50544%0.442SS..THydrogen-bonded Turntrans88.18.6179.100000114.7L143 G144 A145 V149L143-G147 PolarHBondContact O-N 3.44Å; G144-G147 PolarHBondContact O-N 2.95Å; A145-G147 VanDerWaalsContact C-N 3.25Å; A145-G147 PolarHBondContact O-N 3.37Å; G147-V149 PolarHBondContact O-N 3.27Å
148N88.9Confident90Very high69 Ų6983.5 Ų83.537%0.36945%0.452SS..  trans-81.278.7178.5-70-3.7000110.9L143 E150 E151 S152L143-N148 PolarHBondContact O-N 2.92Å; L143-N148 VanDerWaalsContact O-N 3.08Å; N148-E150 PolarHBondContact O-N 3.48Å; N148-E151 HydrophobicContact CB-CB 4.22Å; N148-E151 HydrophobicContact CB-CG 4.48Å; N148-E151 PolarHBondContact ND2-OE2 3.46Å; N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.16Å; N148-S152 PolarHBondContact O-OG 3.29Å
149V86.4Confident90Very high88 Ų8881.6 Ų81.653%0.53344%0.435SS..Hα-helixtrans-63.2-40.4-176.4-177.10000112.5G147 S152 Q153G147-V149 PolarHBondContact O-N 3.27Å; V149-S152 VanDerWaalsContact CA-OG 3.29Å; V149-S152 WeakPolarHBondContact CA-OG 3.36Å; V149-S152 PolarHBondContact O-OG 3.19Å; V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 WeakPolarHBondContact O-CB 3.43Å; V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.93Å
150E88.8Confident90.1Very high148 Ų14881.9 Ų81.969%0.69244%0.439SS*.Hα-helixtrans-69.5-38.8-178.1-62.6-174.6177.700112.8N148 K154N148-E150 PolarHBondContact O-N 3.48Å; E150-K154 WeakPolarHBondContact O-CG 3.19Å; E150-K154 PolarHBondContact O-N 3.01Å
151E88.6Confident90.1Very high99 Ų9987.5 Ų87.546%0.46346%0.461SS..Hα-helixtrans-72.6-41.8177.2-62.9-175.9153.100110.9L143 N148 Q153 K154 V155L143-E151 HydrophobicContact CD1-CB 4.35Å; N148-E151 HydrophobicContact CB-CB 4.22Å; N148-E151 HydrophobicContact CB-CG 4.48Å; N148-E151 PolarHBondContact ND2-OE2 3.46Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 3.36Å; E151-K154 PolarHBondContact O-N 3.05Å; E151-V155 WeakPolarHBondContact O-CG2 3.24Å; E151-V155 PolarHBondContact O-N 3.11Å
152S89.2Confident90.2Very high15 Ų1580.9 Ų80.911%0.10543%0.432CS..Hα-helixtrans-62-36.1174.6580000112.4N148 V149 V155 M156N148-S152 WeakPolarHBondContact O-CB 3.49Å; N148-S152 PolarHBondContact O-N 3.16Å; N148-S152 PolarHBondContact O-OG 3.29Å; V149-S152 VanDerWaalsContact CA-OG 3.29Å; V149-S152 WeakPolarHBondContact CA-OG 3.36Å; V149-S152 PolarHBondContact O-OG 3.19Å; S152-V155 PolarHBondContact O-N 3Å; S152-M156 WeakPolarHBondContact O-CB 3.43Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 2.98Å
153Q89.2Confident90.1Very high116 Ų11680.5 Ų80.554%0.54243%0.425SS..Hα-helixtrans-62.7-44.7172.8-78.2176.45.700112.5V149 E151 V155 M156 D157V149-Q153 HydrophobicContact CG1-CG 4.47Å; V149-Q153 WeakPolarHBondContact O-CB 3.43Å; V149-Q153 VanDerWaalsContact O-CG 3.27Å; V149-Q153 WeakPolarHBondContact O-CG 3.28Å; V149-Q153 PolarHBondContact O-N 2.93Å; E151-Q153 VanDerWaalsContact C-N 3.3Å; E151-Q153 PolarHBondContact O-N 3.36Å; Q153-V155 PolarHBondContact O-N 2.83Å; Q153-M156 WeakPolarHBondContact O-CB 3.47Å; Q153-M156 PolarHBondContact O-N 3.43Å; Q153-M156 VanDerWaalsContact O-N 3.15Å; Q153-D157 PolarHBondContact O-N 2.87Å
154K90.8Very high90.2Very high133 Ų13381.1 Ų81.158%0.57844%0.435SS*.Hα-helixtrans-62.2-42.7177.1-69.1170.4-173168.40112.2E150 E151 M156 D157 E158E150-K154 WeakPolarHBondContact O-CG 3.19Å; E150-K154 PolarHBondContact O-N 3.01Å; E151-K154 PolarHBondContact O-N 3.05Å; K154-M156 VanDerWaalsContact C-N 3.31Å; K154-D157 PolarHBondContact O-N 2.87Å; K154-E158 PolarHBondContact O-N 2.91Å; K154-E158 VanDerWaalsContact O-N 3.16Å
155V90.9Very high90.3Very high23 Ų2385 Ų8514%0.13944%0.438CS..Hα-helixtrans-68.9-32.4176.1-176.50000110.8L136 V140 L143 E151 S152 Q153 E158 V159L136-V155 HydrophobicContact CD2-CG1 4.16Å; V140-V155 HydrophobicContact CG2-CB 3.84Å; V140-V155 HydrophobicContact CG2-CG1 3.53Å; L143-V155 HydrophobicContact CD1-CG2 3.95Å; E151-V155 WeakPolarHBondContact O-CG2 3.24Å; E151-V155 PolarHBondContact O-N 3.11Å; S152-V155 PolarHBondContact O-N 3Å; Q153-V155 PolarHBondContact O-N 2.83Å; V155-E158 WeakPolarHBondContact O-CB 3.47Å; V155-E158 PolarHBondContact O-N 3.33Å; V155-V159 WeakPolarHBondContact O-CG2 3.21Å; V155-V159 PolarHBondContact O-N 3Å
156M89Confident90.3Very high66 Ų6683 Ų8333%0.32541%0.413SS..Hα-helixtrans-64.5-40.6172.1-80.5-63.5-70.700112.6L137 V140 S152 Q153 K154 E158 V159 E160L137-M156 HydrophobicContact CD2-SD 4.49Å; V140-M156 HydrophobicContact CB-CG 4.35Å; V140-M156 HydrophobicContact CB-SD 4.13Å; V140-M156 HydrophobicContact CG1-CG 3.59Å; V140-M156 HydrophobicContact CG1-SD 3.6Å; V140-M156 HydrophobicContact CG2-CG 3.78Å; V140-M156 HydrophobicContact CG2-SD 3.73Å; S152-M156 WeakPolarHBondContact O-CB 3.43Å; S152-M156 VanDerWaalsContact O-CG 3.25Å; S152-M156 WeakPolarHBondContact O-CG 3.26Å; S152-M156 PolarHBondContact O-N 2.98Å; Q153-M156 WeakPolarHBondContact O-CB 3.47Å; Q153-M156 PolarHBondContact O-N 3.43Å; Q153-M156 VanDerWaalsContact O-N 3.15Å; K154-M156 VanDerWaalsContact C-N 3.31Å; M156-E158 PolarHBondContact O-N 3.01Å; M156-V159 CarbonylContact O-C 3.57Å; M156-V159 WeakPolarHBondContact O-CA 3.4Å; M156-V159 WeakPolarHBondContact O-CB 3.49Å; M156-V159 PolarHBondContact O-N 3.21Å; M156-V159 VanDerWaalsContact O-N 3.08Å; M156-E160 WeakPolarHBondContact O-CG 3.44Å; M156-E160 PolarHBondContact O-N 3.08Å
157D91.7Very high90.3Very high87 Ų8785 Ų8547%0.46541%0.414SS..Hα-helixtrans-61.2-35.8172.6-65.5-20.6000111.5Q153 K154 E160 K161Q153-D157 PolarHBondContact O-N 2.87Å; K154-D157 PolarHBondContact O-N 2.87Å; D157-E160 PolarHBondContact O-N 3.35Å; D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.35Å
158E91.2Very high90.4Very high101 Ų10188.4 Ų88.447%0.47242%0.418SS..Hα-helixtrans-66.1-40.5172.2-67.5177.8176.500112.1K154 V155 M156 E160 K161 A162K154-E158 PolarHBondContact O-N 2.91Å; K154-E158 VanDerWaalsContact O-N 3.16Å; V155-E158 WeakPolarHBondContact O-CB 3.47Å; V155-E158 PolarHBondContact O-N 3.33Å; M156-E158 PolarHBondContact O-N 3.01Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E158-K161 PolarHBondContact O-N 3.06Å; E158-A162 WeakPolarHBondContact O-CB 3.28Å; E158-A162 PolarHBondContact O-N 3.03Å
159V93.3Very high90.3Very high1 Ų186 Ų861%0.00641%0.407CS..Hα-helixtrans-61.3-42.1172.4172.70000110.9I133 L136 L137 V140 V155 M156 A162 R163I133-V159 HydrophobicContact CG2-CG1 4.45Å; L136-V159 HydrophobicContact CB-CG2 3.46Å; L136-V159 VanDerWaalsContact CB-CG2 3.46Å; L136-V159 HydrophobicContact CD1-CG2 4.34Å; L137-V159 HydrophobicContact CD2-CG1 3.85Å; L137-V159 HydrophobicContact CD2-CG2 4.31Å; L137-V159 HydrophobicContact CG-CG1 4.16Å; L137-V159 HydrophobicContact CG-CG2 4.43Å; V140-V159 HydrophobicContact CG2-CG2 4.34Å; V155-V159 WeakPolarHBondContact O-CG2 3.21Å; V155-V159 PolarHBondContact O-N 3Å; M156-V159 CarbonylContact O-C 3.57Å; M156-V159 WeakPolarHBondContact O-CA 3.4Å; M156-V159 WeakPolarHBondContact O-CB 3.49Å; M156-V159 PolarHBondContact O-N 3.21Å; M156-V159 VanDerWaalsContact O-N 3.08Å; V159-A162 CarbonylContact O-C 3.59Å; V159-A162 PolarHBondContact O-N 3.46Å; V159-R163 HydrophobicContact CG1-CG 4.27Å; V159-R163 WeakPolarHBondContact O-CB 3.47Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.45Å; V159-R163 PolarHBondContact O-N 2.96Å
160E92.3Very high90.2Very high121 Ų12184.7 Ų84.757%0.56540%0.395SS*.Hα-helixtrans-64.8-42.7177.8-71.7-168.7168.700111.9M156 D157 E158 A162 R163 A164M156-E160 WeakPolarHBondContact O-CG 3.44Å; M156-E160 PolarHBondContact O-N 3.08Å; D157-E160 PolarHBondContact O-N 3.35Å; E158-E160 VanDerWaalsContact C-N 3.34Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 2.81Å; E160-R163 PolarHBondContact O-N 2.77Å; E160-A164 PolarHBondContact O-N 3.33Å
161K92.5Very high90.1Very high138 Ų13883.4 Ų83.460%0.639%0.389SS*.Hα-helixtrans-61-42171.7-71168.1-173.3168.10111.7D157 E158 A164 K165D157-K161 VanDerWaalsContact O-CG 3.3Å; D157-K161 WeakPolarHBondContact O-CG 3.37Å; D157-K161 PolarHBondContact O-N 3.35Å; E158-K161 PolarHBondContact O-N 3.06Å; K161-A164 PolarHBondContact O-N 3.02Å; K161-K165 WeakPolarHBondContact O-CG 3.02Å; K161-K165 PolarHBondContact O-N 3.09Å
162A91.3Very high89.9Confident9 Ų982 Ų827%0.07439%0.387CS..Hα-helixtrans-65.9-38.2175.700000111.9I133 L136 E158 V159 E160 K165 K166I133-A162 HydrophobicContact CD1-CB 4.48Å; I133-A162 HydrophobicContact CG1-CB 3.8Å; L136-A162 HydrophobicContact CD1-CB 4.31Å; E158-A162 WeakPolarHBondContact O-CB 3.28Å; E158-A162 PolarHBondContact O-N 3.03Å; V159-A162 CarbonylContact O-C 3.59Å; V159-A162 PolarHBondContact O-N 3.46Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 2.81Å; A162-K165 PolarHBondContact O-N 2.95Å; A162-K166 WeakPolarHBondContact O-CB 3.1Å; A162-K166 PolarHBondContact O-N 2.75Å
163R90.9Very high89.5Confident120 Ų12084.5 Ų84.545%0.45340%0.395SS..Hα-helixtrans-65.8-37.5173.8-76.9176.7176.6-158.80.8112.4I133 V159 E160 K166 R167I133-R163 HydrophobicContact CD1-CG 4.02Å; I133-R163 HydrophobicContact CG1-CG 4.47Å; V159-R163 HydrophobicContact CG1-CG 4.27Å; V159-R163 WeakPolarHBondContact O-CB 3.47Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.45Å; V159-R163 PolarHBondContact O-N 2.96Å; E160-R163 PolarHBondContact O-N 2.77Å; R163-K166 PolarHBondContact O-N 3.32Å; R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.34Å
164A92.3Very high89Confident45 Ų4587.9 Ų87.937%0.37240%0.402SS..Hα-helixtrans-63-49.8173.300000110.7E160 K161 K166 R167 E168E160-A164 PolarHBondContact O-N 3.33Å; K161-A164 PolarHBondContact O-N 3.02Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.89Å; A164-R167 PolarHBondContact O-N 3.16Å; A164-R167 VanDerWaalsContact O-N 3.09Å; A164-E168 WeakPolarHBondContact O-CG 3.38Å; A164-E168 PolarHBondContact O-N 2.94Å
165K90.7Very high88.5Confident127 Ų12787.5 Ų87.555%0.55241%0.407SS*.Hα-helixtrans-58-38.8173.5-70.2176.8-179-179.80112.7L129 K161 A162 E168 A169L129-K165 HydrophobicContact CD1-CB 4.46Å; K161-K165 WeakPolarHBondContact O-CG 3.02Å; K161-K165 PolarHBondContact O-N 3.09Å; A162-K165 PolarHBondContact O-N 2.95Å; K165-E168 PolarHBondContact O-N 3.14Å; K165-A169 WeakPolarHBondContact O-CB 3.41Å; K165-A169 PolarHBondContact O-N 3.24Å
166K89.7Confident87.6Confident50 Ų5087.7 Ų87.722%0.21741%0.409CS..Hα-helixtrans-61.9-47.1173.9174.7-173.5165.1174.10111.3L129 N130 I133 A162 R163 A164 E168 A169 E170L129-K166 HydrophobicContact CB-CB 4.38Å; N130-K166 WeakPolarHBondContact OD1-CD 3.36Å; N130-K166 WeakPolarHBondContact OD1-CE 3.12Å; N130-K166 PolarHBondContact OD1-NZ 3.06Å; I133-K166 HydrophobicContact CD1-CB 3.81Å; I133-K166 HydrophobicContact CD1-CD 3.63Å; I133-K166 HydrophobicContact CD1-CG 4.28Å; A162-K166 WeakPolarHBondContact O-CB 3.1Å; A162-K166 PolarHBondContact O-N 2.75Å; R163-K166 PolarHBondContact O-N 3.32Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.89Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.13Å; K166-A169 PolarHBondContact O-N 2.91Å; K166-E170 VanDerWaalsContact CE-CD 3.41Å; K166-E170 WeakPolarHBondContact CE-OE1 3.42Å; K166-E170 HydrophobicContact CG-CG 4.27Å; K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.21Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.32Å; K166-E170 PolarHBondContact O-N 3.42Å
167R89.9Confident86.9Confident179 Ų17988.3 Ų88.368%0.67541%0.412SS*.Hα-helixtrans-60.4-43.5177.6-75.1-178.5-174.3178.53.5111.2R163 A164 E170 E171R163-R167 WeakPolarHBondContact O-CG 3.31Å; R163-R167 PolarHBondContact O-N 3.34Å; A164-R167 PolarHBondContact O-N 3.16Å; A164-R167 VanDerWaalsContact O-N 3.09Å; R167-E170 PolarHBondContact O-N 2.64Å; R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 WeakPolarHBondContact O-CG 3.32Å; R167-E171 PolarHBondContact O-N 3.28Å
168E90.3Very high85.6Confident122 Ų12286.4 Ų86.457%0.5740%0.404SS*.Hα-helixtrans-60.9-44.8174.4-68.7171.2-173.800111.5A164 K165 K166 E171 V172A164-E168 WeakPolarHBondContact O-CG 3.38Å; A164-E168 PolarHBondContact O-N 2.94Å; K165-E168 PolarHBondContact O-N 3.14Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.13Å; E168-E171 PolarHBondContact O-N 3.47Å; E168-V172 WeakPolarHBondContact O-CB 3.5Å; E168-V172 VanDerWaalsContact O-CG2 3.25Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.34Å
169A87Confident84.4Confident17 Ų1785.3 Ų85.314%0.1441%0.413CS..Hα-helixtrans-65-39.2176.700000112.7V126 L129 K165 K166 V172 Y173V126-A169 HydrophobicContact CG2-CB 4.14Å; L129-A169 HydrophobicContact CD1-CB 3.7Å; K165-A169 WeakPolarHBondContact O-CB 3.41Å; K165-A169 PolarHBondContact O-N 3.24Å; K166-A169 PolarHBondContact O-N 2.91Å; A169-V172 PolarHBondContact O-N 3.05Å; A169-Y173 VanDerWaalsContact O-CB 3.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.49Å; A169-Y173 PolarHBondContact O-N 2.94Å
170E85.3Confident83.1Confident61 Ų6188.3 Ų88.329%0.28543%0.434SS..Hα-helixtrans-68.3-37.9174.9-77.1-177.3164.600112V126 K166 R167 Y173 R174V126-E170 HydrophobicContact CG1-CG 3.86Å; V126-E170 HydrophobicContact CG2-CG 4.12Å; K166-E170 VanDerWaalsContact CE-CD 3.41Å; K166-E170 WeakPolarHBondContact CE-OE1 3.42Å; K166-E170 HydrophobicContact CG-CG 4.27Å; K166-E170 IonicContact NZ-OE1 3.49Å; K166-E170 PolarHBondContact NZ-OE1 3.21Å; K166-E170 WeakPolarHBondContact O-CB 3.39Å; K166-E170 WeakPolarHBondContact O-CG 3.32Å; K166-E170 PolarHBondContact O-N 3.42Å; R167-E170 PolarHBondContact O-N 2.64Å; E170-Y173 PolarHBondContact O-N 3.06Å; E170-R174 WeakPolarHBondContact O-CB 3.37Å; E170-R174 WeakPolarHBondContact O-CG 3.3Å; E170-R174 PolarHBondContact O-N 2.82Å
171E86.3Confident81.9Confident122 Ų12284 Ų8457%0.5742%0.417SS*.Hα-helixtrans-66.3-44.1172.9-79.6-179.1-174.900111.2R167 E168 Y173 R174 N175R167-E171 WeakPolarHBondContact O-CB 3.44Å; R167-E171 WeakPolarHBondContact O-CG 3.32Å; R167-E171 PolarHBondContact O-N 3.28Å; E168-E171 PolarHBondContact O-N 3.47Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.8Å; E171-R174 PolarHBondContact O-N 2.99Å; E171-N175 VanDerWaalsContact O-CB 3.24Å; E171-N175 WeakPolarHBondContact O-CB 3.25Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 2.81Å
172V83.4Confident80.8Confident69 Ų6982.4 Ų82.442%0.41841%0.41SS..Hα-helixtrans-60.7-43.3172.6171.30000110.5E168 A169 N175 S176E168-V172 WeakPolarHBondContact O-CB 3.5Å; E168-V172 VanDerWaalsContact O-CG2 3.25Å; E168-V172 WeakPolarHBondContact O-CG2 3.37Å; E168-V172 PolarHBondContact O-N 3.34Å; A169-V172 PolarHBondContact O-N 3.05Å; V172-N175 PolarHBondContact O-N 2.97Å; V172-S176 WeakPolarHBondContact O-CB 3.42Å; V172-S176 PolarHBondContact O-N 2.69Å; V172-S176 PolarHBondContact O-OG 3.01Å
173Y80.7Confident79.5Confident68 Ų6888 Ų8827%0.26744%0.435SS..Hα-helixtrans-59-50.4174.8176-105.6000111.3V119 K122 A123 A169 E170 E171 S176 M177V119-Y173 HydrophobicContact CG1-CE2 4Å; K122-Y173 HydrophobicContact CB-CD2 3.82Å; A123-Y173 HydrophobicContact CB-CE2 3.9Å; A169-Y173 VanDerWaalsContact O-CB 3.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.49Å; A169-Y173 PolarHBondContact O-N 2.94Å; E170-Y173 PolarHBondContact O-N 3.06Å; E171-Y173 VanDerWaalsContact C-N 3.32Å; E171-Y173 PolarHBondContact O-N 2.8Å; Y173-S176 WeakPolarHBondContact CA-OG 3.3Å; Y173-S176 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-OG 2.84Å; Y173-M177 HydrophobicContact CE1-CE 3.95Å; Y173-M177 HydrophobicContact CE2-CE 3.78Å; Y173-M177 WeakPolarHBondContact O-CB 3.4Å; Y173-M177 PolarHBondContact O-N 2.73Å; Y173-M177 WeakPolarHBondContact OH-CE 3.25Å
174R79.8Confident78.2Confident187 Ų18787 Ų8771%0.70644%0.435SS*.Hα-helixtrans-61.5-44.9177.2-76.4-176.1-174.7-166.94112.8E170 E171 S176 M177E170-R174 WeakPolarHBondContact O-CB 3.37Å; E170-R174 WeakPolarHBondContact O-CG 3.3Å; E170-R174 PolarHBondContact O-N 2.82Å; E171-R174 PolarHBondContact O-N 2.99Å; R174-S176 VanDerWaalsContact C-N 3.34Å; R174-M177 CarbonylContact O-C 3.55Å; R174-M177 PolarHBondContact O-N 3.33Å
175N80.6Confident77Confident124 Ų12486.9 Ų86.966%0.66343%0.427SS*.Hα-helixtrans-67.8-36.8179.9-70.3-16000111.6E171 V172 M177E171-N175 VanDerWaalsContact O-CB 3.24Å; E171-N175 WeakPolarHBondContact O-CB 3.25Å; E171-N175 PolarHBondContact O-N 3.1Å; E171-N175 PolarHBondContact O-ND2 2.81Å; V172-N175 PolarHBondContact O-N 2.97Å; N175-M177 PolarHBondContact O-N 3.39Å
176S71.9Confident76.3Confident28 Ų2883 Ų8320%0.19641%0.41CS..Hα-helixtrans-78.1-8.2175.875.40000114.6K122 V172 Y173 R174 P178K122-S176 WeakPolarHBondContact CD-OG 3.42Å; K122-S176 VanDerWaalsContact NZ-CB 3.27Å; V172-S176 WeakPolarHBondContact O-CB 3.42Å; V172-S176 PolarHBondContact O-N 2.69Å; V172-S176 PolarHBondContact O-OG 3.01Å; Y173-S176 WeakPolarHBondContact CA-OG 3.3Å; Y173-S176 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-OG 2.84Å; R174-S176 VanDerWaalsContact C-N 3.34Å; S176-P178 WeakPolarHBondContact O-CD 3.37Å
177M73.2Confident76.1Confident78 Ų7883.4 Ų83.438%0.38441%0.414SS..SBendtrans-101.258.6168.7-168178.4-78.500109.1V119 Y173 R174 N175V119-M177 HydrophobicContact CG1-CE 3.59Å; V119-M177 HydrophobicContact CG2-CE 4.46Å; Y173-M177 HydrophobicContact CE1-CE 3.95Å; Y173-M177 HydrophobicContact CE2-CE 3.78Å; Y173-M177 WeakPolarHBondContact O-CB 3.4Å; Y173-M177 PolarHBondContact O-N 2.73Å; Y173-M177 WeakPolarHBondContact OH-CE 3.25Å; R174-M177 CarbonylContact O-C 3.55Å; R174-M177 PolarHBondContact O-N 3.33Å; N175-M177 PolarHBondContact O-N 3.39Å
178P65.8Low75.9Confident47 Ų4781.5 Ų81.531%0.30541%0.407SS..  trans-65.3146.5175.532.7-35000108.4S176 S180 S181 F182S176-P178 WeakPolarHBondContact O-CD 3.37Å; P178-S180 WeakPolarHBondContact CB-OG 3.36Å; P178-S180 PolarHBondContact O-N 2.92Å; P178-S181 VanDerWaalsContact CG-OG 3.3Å; P178-S181 WeakPolarHBondContact CG-OG 2.93Å; P178-S181 PolarHBondContact O-N 3.47Å; P178-F182 PolarHBondContact O-N 2.76Å
179A65.7Low75.7Confident78 Ų7876 Ų7665%0.64538%0.382SS*.Hα-helixtrans-53.2-25.6175.200000112.5Q183A179-Q183 WeakPolarHBondContact O-CG 3.41Å; A179-Q183 PolarHBondContact O-N 3.5Å; A179-Q183 VanDerWaalsContact O-N 3.09Å
180S65.7Low75.8Confident65 Ų6575.7 Ų75.746%0.45538%0.378SS..Hα-helixtrans-69.5-40.817654.80000114.2P178 F182 Q183 Q184P178-S180 WeakPolarHBondContact CB-OG 3.36Å; P178-S180 PolarHBondContact O-N 2.92Å; S180-F182 VanDerWaalsContact C-N 3.3Å; S180-Q183 WeakPolarHBondContact O-CB 3.35Å; S180-Q183 PolarHBondContact O-N 3.2Å; S180-Q184 PolarHBondContact O-N 3.34Å
181S67.8Low75.8Confident30 Ų3077.5 Ų77.521%0.2139%0.387CS..Hα-helixtrans-69.1-35.3177-59.40000110.7P178 Q183 Q184 Q185P178-S181 VanDerWaalsContact CG-OG 3.3Å; P178-S181 WeakPolarHBondContact CG-OG 2.93Å; P178-S181 PolarHBondContact O-N 3.47Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 3.02Å; S181-Q184 PolarHBondContact O-N 3.44Å; S181-Q185 PolarHBondContact O-N 2.83Å
182F68Low75.8Confident105 Ų10572.9 Ų72.946%0.46137%0.367SS..Hα-helixtrans-64.6-32.7172.1-170.6-129000112.3P178 S180 K186P178-F182 PolarHBondContact O-N 2.76Å; S180-F182 VanDerWaalsContact C-N 3.3Å; F182-K186 HydrophobicContact CD1-CD 3.94Å; F182-K186 VanDerWaalsContact CD1-CE 3.43Å; F182-K186 HydrophobicContact CE1-CD 4.03Å; F182-K186 HydrophobicContact CG-CD 4.31Å; F182-K186 HydrophobicContact CZ-CD 4.36Å; F182-K186 WeakPolarHBondContact O-CD 3.38Å; F182-K186 VanDerWaalsContact O-CG 3.23Å; F182-K186 WeakPolarHBondContact O-CG 3.34Å; F182-K186 PolarHBondContact O-N 3.07Å
183Q64Low75.7Confident125 Ų12570 Ų7058%0.58435%0.35SS*.Hα-helixtrans-62.5-44171.9-74.6172.2-20.100111.2A179 S180 S181 Q185 K186 L187A179-Q183 WeakPolarHBondContact O-CG 3.41Å; A179-Q183 PolarHBondContact O-N 3.5Å; A179-Q183 VanDerWaalsContact O-N 3.09Å; S180-Q183 WeakPolarHBondContact O-CB 3.35Å; S180-Q183 PolarHBondContact O-N 3.2Å; S181-Q183 VanDerWaalsContact C-N 3.28Å; S181-Q183 PolarHBondContact O-N 3.02Å; Q183-Q185 PolarHBondContact O-N 3.5Å; Q183-K186 CarbonylContact O-C 3.59Å; Q183-K186 WeakPolarHBondContact O-CA 3.49Å; Q183-K186 WeakPolarHBondContact O-CB 3.44Å; Q183-K186 PolarHBondContact O-N 3.37Å; Q183-L187 WeakPolarHBondContact O-CD1 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å
184Q64.5Low75.7Confident100 Ų10068.3 Ų68.347%0.46735%0.348SS..Hα-helixtrans-61.6-41.3178.9-70.4-179.7-26.400112.9I115 S180 S181 K186 L187I115-Q184 HydrophobicContact CD1-CB 3.97Å; S180-Q184 PolarHBondContact O-N 3.34Å; S181-Q184 PolarHBondContact O-N 3.44Å; Q184-K186 PolarHBondContact O-N 3.32Å; Q184-L187 WeakPolarHBondContact O-CB 3.3Å; Q184-L187 PolarHBondContact O-N 2.97Å
185Q67.1Low75.9Confident43 Ų4361 Ų6120%0.20133%0.328CS..Hα-helixtrans-62.5-23.5173.1-64.9-176.3-27.900113.1Q112 I115 S181 Q183 L187Q112-Q185 HydrophobicContact CG-CB 4.44Å; Q112-Q185 HydrophobicContact CG-CG 4.24Å; I115-Q185 HydrophobicContact CB-CG 4.33Å; I115-Q185 HydrophobicContact CD1-CG 4.43Å; I115-Q185 HydrophobicContact CG2-CG 4.05Å; I115-Q185 VanDerWaalsContact CG2-NE2 3.27Å; S181-Q185 PolarHBondContact O-N 2.83Å; Q183-Q185 PolarHBondContact O-N 3.5Å; Q185-L187 VanDerWaalsContact C-N 3.34Å
186K76.8Confident76.1Confident45 Ų4560.7 Ų60.720%0.19632%0.318CS..THydrogen-bonded Turntrans-88.92.6177.6-70.3167.6165.6-153.20113.1F182 Q183 Q184 G198 L199 H200F182-K186 HydrophobicContact CD1-CD 3.94Å; F182-K186 VanDerWaalsContact CD1-CE 3.43Å; F182-K186 HydrophobicContact CE1-CD 4.03Å; F182-K186 HydrophobicContact CG-CD 4.31Å; F182-K186 HydrophobicContact CZ-CD 4.36Å; F182-K186 WeakPolarHBondContact O-CD 3.38Å; F182-K186 VanDerWaalsContact O-CG 3.23Å; F182-K186 WeakPolarHBondContact O-CG 3.34Å; F182-K186 PolarHBondContact O-N 3.07Å; Q183-K186 CarbonylContact O-C 3.59Å; Q183-K186 WeakPolarHBondContact O-CA 3.49Å; Q183-K186 WeakPolarHBondContact O-CB 3.44Å; Q183-K186 PolarHBondContact O-N 3.37Å; Q184-K186 PolarHBondContact O-N 3.32Å; K186-G198 CarbonylContact O-C 3.56Å; K186-G198 WeakPolarHBondContact O-CA 3.29Å; K186-L199 WeakPolarHBondContact O-CG 3.31Å; K186-L199 PolarHBondContact O-N 2.84Å; K186-H200 WeakPolarHBondContact CD-CD2 3.15Å; K186-H200 WeakPolarHBondContact CE-CD2 3.26Å; K186-H200 WeakPolarHBondContact CE-NE2 3.38Å; K186-H200 PolarHBondContact NZ-CD2 2.82Å; K186-H200 PolarHBondContact NZ-NE2 3.44Å; K186-H200 VanDerWaalsContact NZ-NE2 3.14Å
187L85.1Confident76.7Confident58 Ų5860.5 Ų60.530%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-86.4133.9173.7-89.368.4000110.1L108 Q183 Q184 Q185 Y196 L197L108-L187 HydrophobicContact CD1-CB 4.15Å; L108-L187 HydrophobicContact CD2-CB 4.46Å; Q183-L187 WeakPolarHBondContact O-CD1 3.28Å; Q183-L187 PolarHBondContact O-N 2.94Å; Q184-L187 WeakPolarHBondContact O-CB 3.3Å; Q184-L187 PolarHBondContact O-N 2.97Å; Q185-L187 VanDerWaalsContact C-N 3.34Å; L187-Y196 HydrophobicContact CD2-CD1 4.09Å; L187-Y196 HydrophobicContact CD2-CG 4.17Å; L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.23Å
188R84.8Confident77.2Confident140 Ų14058 Ų5853%0.52831%0.308SS..EExtended strand (participates in β ladder)trans-118.5139169.1-180177.3177-178.1-0108.6E191 L197 L199R188-E191 IonicContact NH2-OE1 3.08Å; R188-E191 PolarHBondContact NH2-OE1 3.05Å; R188-L197 PolarHBondContact N-O 3.14Å; R188-L197 PolarHBondContact O-N 3.31Å; R188-L199 HydrophobicContact CB-CD2 4.24Å
189V86.5Confident77.8Confident6 Ų661 Ų614%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-81.2131.7170.2-172.50000109.9A104 K105 L108 E191 A195 Y196A104-V189 HydrophobicContact CB-CG1 4.16Å; A104-V189 HydrophobicContact CB-CG2 4.09Å; K105-V189 HydrophobicContact CG-CB 3.91Å; K105-V189 HydrophobicContact CG-CG1 4.42Å; K105-V189 HydrophobicContact CG-CG2 4.16Å; L108-V189 HydrophobicContact CD1-CB 4.48Å; L108-V189 HydrophobicContact CD1-CG2 3.31Å; L108-V189 HydrophobicContact CG-CG2 3.89Å; V189-E191 PolarHBondContact O-N 3.33Å; V189-A195 CarbonylContact C-O 3.49Å; V189-A195 WeakPolarHBondContact CA-O 3.38Å; V189-Y196 HydrophobicContact CG2-CD1 4.21Å; V189-Y196 HydrophobicContact CG2-CE1 4.09Å
190C88Confident78.1Confident10 Ų1063.7 Ų63.77%0.06832%0.32CS..  trans-65130.7168.2176.60000110.6V192 C193 S194 A195 L197 H209C190-V192 PolarHBondContact O-N 2.75Å; C190-C193 HydrophobicContact CB-CB 4.46Å; C190-S194 WeakPolarHBondContact O-CA 3.24Å; C190-S194 PolarHBondContact O-N 3.11Å; C190-S194 VanDerWaalsContact O-N 3.14Å; C190-A195 PolarHBondContact N-O 3.15Å; C190-L197 HydrophobicContact CB-CD1 3.64Å; C190-L197 HydrophobicContact CB-CD2 4.37Å; C190-H209 WeakPolarHBondContact CB-NE2 3.29Å; C190-H209 PolarHBondContact SG-NE2 3.38Å
191E85.7Confident78.9Confident99 Ų9962.3 Ų62.346%0.46331%0.308SS..THydrogen-bonded Turntrans-69.9-18.9-174.5-56.5-179.6-169.500113.2R188 V189 R222R188-E191 IonicContact NH2-OE1 3.08Å; R188-E191 PolarHBondContact NH2-OE1 3.05Å; V189-E191 PolarHBondContact O-N 3.33Å; E191-R222 PolarHBondContact O-NH2 2.82Å
192V86Confident79.7Confident25 Ų2566.7 Ų66.715%0.15233%0.329CS..THydrogen-bonded Turntrans-102.8-45.7-175.8-179.80000111.3C190 H215 F218 I219C190-V192 PolarHBondContact O-N 2.75Å; V192-H215 VanDerWaalsContact CB-CE1 3.44Å; V192-H215 WeakPolarHBondContact CB-CE1 3.01Å; V192-F218 HydrophobicContact CG1-CB 3.33Å; V192-F218 HydrophobicContact CG1-CG 4.25Å; V192-I219 HydrophobicContact CG1-CG1 4.35Å
193C82.1Confident80.6Confident9 Ų968.1 Ų68.16%0.06134%0.341CS..THydrogen-bonded Turntrans-101-3.2-171.9-60.70000115.2C190 A195 H215 F218C190-C193 HydrophobicContact CB-CB 4.46Å; C193-A195 HydrophobicContact CB-CB 4.31Å; C193-A195 PolarHBondContact O-N 3.48Å; C193-H215 WeakPolarHBondContact SG-CA 3.41Å; C193-H215 WeakPolarHBondContact SG-CB 3.48Å; C193-H215 PolarHBondContact SG-ND1 3.24Å; C193-F218 HydrophobicContact CB-CD2 4.38Å
194S81Confident81.8Confident33 Ų3372.9 Ų72.923%0.23135%0.354CS..  trans56.96.6-170.768.80000115.9C190C190-S194 WeakPolarHBondContact O-CA 3.24Å; C190-S194 PolarHBondContact O-N 3.11Å; C190-S194 VanDerWaalsContact O-N 3.14Å
195A84Confident82.8Confident33 Ų3375.6 Ų75.627%0.27336%0.36SS..  trans-75.1148.5-179.300000111.4V189 C190 C193 L197 H209V189-A195 CarbonylContact C-O 3.49Å; V189-A195 WeakPolarHBondContact CA-O 3.38Å; C190-A195 PolarHBondContact N-O 3.15Å; C193-A195 HydrophobicContact CB-CB 4.31Å; C193-A195 PolarHBondContact O-N 3.48Å; A195-L197 HydrophobicContact CB-CD1 4.11Å; A195-L197 WeakPolarHBondContact O-CD1 3.34Å; A195-H209 VanDerWaalsContact CB-CE1 3.47Å; A195-H209 WeakPolarHBondContact CB-CE1 3.4Å
196Y84.1Confident83.6Confident118 Ų11876.2 Ų76.246%0.46336%0.364SS..EExtended strand (participates in β ladder)trans-78.7121.3171.8-62-75000110.7L108 L187 V189L108-Y196 HydrophobicContact CD1-CD1 3.77Å; L108-Y196 HydrophobicContact CD1-CE1 3.82Å; L108-Y196 HydrophobicContact CD2-CD1 3.92Å; L108-Y196 HydrophobicContact CD2-CE1 3.51Å; L108-Y196 HydrophobicContact CG-CD1 4.09Å; L108-Y196 HydrophobicContact CG-CE1 3.64Å; L187-Y196 HydrophobicContact CD2-CD1 4.09Å; L187-Y196 HydrophobicContact CD2-CG 4.17Å; V189-Y196 HydrophobicContact CG2-CD1 4.21Å; V189-Y196 HydrophobicContact CG2-CE1 4.09Å
197L85.1Confident84.2Confident23 Ų2376.9 Ų76.912%0.1238%0.379CS..EExtended strand (participates in β ladder)trans-112.5136.5175.1-80.663.1000108.8L187 R188 C190 A195 L206 F210L187-L197 CarbonylContact C-O 3.58Å; L187-L197 WeakPolarHBondContact CA-O 3.23Å; R188-L197 PolarHBondContact N-O 3.14Å; R188-L197 PolarHBondContact O-N 3.31Å; C190-L197 HydrophobicContact CB-CD1 3.64Å; C190-L197 HydrophobicContact CB-CD2 4.37Å; A195-L197 HydrophobicContact CB-CD1 4.11Å; A195-L197 WeakPolarHBondContact O-CD1 3.34Å; L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; L197-L206 HydrophobicContact CG-CD1 4.38Å; L197-F210 HydrophobicContact CD2-CZ 4.42Å
198G84Confident84.4Confident25 Ų2579.9 Ų79.926%0.25840%0.395SS..EExtended strand (participates in β ladder)trans-79.1136168.900000110.8K186 H200 D201K186-G198 CarbonylContact O-C 3.56Å; K186-G198 WeakPolarHBondContact O-CA 3.29Å; G198-H200 PolarHBondContact O-N 3.01Å; G198-D201 WeakPolarHBondContact O-CB 3.39Å; G198-D201 PolarHBondContact O-N 3.18Å
199L78Confident84.5Confident110 Ų11075.1 Ų75.158%0.57638%0.379SS*.THydrogen-bonded Turntrans-61.2-30.5172.7-72.1173.4000112.5K186 R188K186-L199 WeakPolarHBondContact O-CG 3.31Å; K186-L199 PolarHBondContact O-N 2.84Å; R188-L199 HydrophobicContact CB-CD2 4.24Å
200H72.4Confident84.6Confident135 Ų13579.1 Ų79.163%0.62540%0.396SS*.THydrogen-bonded Turntrans-105.222.3178.4-60.1-81.9000112.5K186 G198K186-H200 WeakPolarHBondContact CD-CD2 3.15Å; K186-H200 WeakPolarHBondContact CE-CD2 3.26Å; K186-H200 WeakPolarHBondContact CE-NE2 3.38Å; K186-H200 PolarHBondContact NZ-CD2 2.82Å; K186-H200 PolarHBondContact NZ-NE2 3.44Å; K186-H200 VanDerWaalsContact NZ-NE2 3.14Å; G198-H200 PolarHBondContact O-N 3.01Å
201D81.9Confident84.6Confident37 Ų3781 Ų8120%0.19842%0.417CS..SBendtrans-69.7155.2172.9-148.4-16.6000110.5G198 R205G198-D201 WeakPolarHBondContact O-CB 3.39Å; G198-D201 PolarHBondContact O-N 3.18Å; D201-R205 WeakPolarHBondContact OD1-CD 3.1Å; D201-R205 IonicContact OD1-NH1 3.03Å; D201-R205 WeakPolarHBondContact OD2-CD 3.45Å; D201-R205 VanDerWaalsContact OD2-CG 3.28Å; D201-R205 WeakPolarHBondContact OD2-CG 3.27Å; D201-R205 IonicContact OD2-CZ 2.65Å; D201-R205 IonicContact OD2-NE 3.82Å; D201-R205 PolarHBondContact OD2-NE 3.17Å; D201-R205 IonicContact OD2-NH1 3.27Å; D201-R205 PolarHBondContact OD2-NH1 2.82Å
202N84.5Confident84.7Confident121 Ų12177.3 Ų77.365%0.64741%0.405SS*.  trans-64.9138.1177.2-66.1-82.9000109.3R204 R205 L206N202-R204 PolarHBondContact O-N 3.38Å; N202-R205 WeakPolarHBondContact O-CA 3.3Å; N202-R205 PolarHBondContact O-N 2.79Å; N202-L206 PolarHBondContact O-N 3.32Å
203D87Confident84.7Confident135 Ų13584.1 Ų84.172%0.72243%0.433SS*.Hα-helixtrans-51.9-32.5176.9-70.5-27.8000112.5R205 L206 A207D203-R205 PolarHBondContact O-N 3.34Å; D203-L206 PolarHBondContact O-N 3.48Å; D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 2.87Å
204R88.9Confident84.8Confident226 Ų22685.9 Ų85.985%0.85344%0.441SS*.Hα-helixtrans-61.5-40.3174.1-176.2176.1168.9154.1-1.2113N202 D208N202-R204 PolarHBondContact O-N 3.38Å; R204-D208 PolarHBondContact O-N 3.3Å; R204-D208 VanDerWaalsContact O-N 3.08Å
205R85.3Confident85.1Confident156 Ų15685.1 Ų85.159%0.58943%0.434SS*.Hα-helixtrans-75.3-35.3177.1179.6160.2172.8-131.86.4111.2D201 N202 D203 D208 H209D201-R205 WeakPolarHBondContact OD1-CD 3.1Å; D201-R205 IonicContact OD1-NH1 3.03Å; D201-R205 WeakPolarHBondContact OD2-CD 3.45Å; D201-R205 VanDerWaalsContact OD2-CG 3.28Å; D201-R205 WeakPolarHBondContact OD2-CG 3.27Å; D201-R205 IonicContact OD2-CZ 2.65Å; D201-R205 IonicContact OD2-NE 3.82Å; D201-R205 PolarHBondContact OD2-NE 3.17Å; D201-R205 IonicContact OD2-NH1 3.27Å; D201-R205 PolarHBondContact OD2-NH1 2.82Å; N202-R205 WeakPolarHBondContact O-CA 3.3Å; N202-R205 PolarHBondContact O-N 2.79Å; D203-R205 PolarHBondContact O-N 3.34Å; R205-D208 PolarHBondContact O-N 3.03Å; R205-H209 PolarHBondContact O-N 3.17Å
206L84.8Confident85.4Confident56 Ų5687.3 Ų87.329%0.29344%0.441SS..Hα-helixtrans-63.2-42.8172.9-173.562.2000111.4L197 N202 D203 H209 F210L197-L206 HydrophobicContact CD2-CD1 3.47Å; L197-L206 VanDerWaalsContact CD2-CD1 3.47Å; L197-L206 HydrophobicContact CG-CD1 4.38Å; N202-L206 PolarHBondContact O-N 3.32Å; D203-L206 PolarHBondContact O-N 3.48Å; L206-H209 WeakPolarHBondContact O-CB 3.16Å; L206-H209 PolarHBondContact O-N 2.98Å; L206-F210 HydrophobicContact CD1-CD2 4Å; L206-F210 HydrophobicContact CD1-CE2 3.31Å; L206-F210 HydrophobicContact CD1-CZ 3.9Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 HydrophobicContact CG-CD2 3.82Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 HydrophobicContact CG-CZ 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.32Å; L206-F210 PolarHBondContact O-N 3.21Å
207A88.2Confident85.5Confident60 Ų6081.9 Ų81.950%0.49642%0.42SS..Hα-helixtrans-64.3-39.1174.400000112.5D203 H209 F210 G211D203-A207 VanDerWaalsContact O-CB 3.28Å; D203-A207 WeakPolarHBondContact O-CB 3.35Å; D203-A207 PolarHBondContact O-N 2.87Å; A207-H209 VanDerWaalsContact C-N 3.29Å; A207-H209 PolarHBondContact O-N 3.09Å; A207-F210 PolarHBondContact O-N 3.18Å; A207-G211 PolarHBondContact O-N 3.42Å
208D89.7Confident85.6Confident121 Ų12181.2 Ų81.265%0.64742%0.417SS*.Hα-helixtrans-64.1-34173.2-175.462.6000112.2R204 R205 G212R204-D208 PolarHBondContact O-N 3.3Å; R204-D208 VanDerWaalsContact O-N 3.08Å; R205-D208 PolarHBondContact O-N 3.03Å; D208-G212 WeakPolarHBondContact O-CA 2.92Å; D208-G212 PolarHBondContact O-N 3.24Å
209H87.7Confident86Confident39 Ų3982.5 Ų82.518%0.18142%0.417CS..Hα-helixtrans-65.1-49.6172.8-177.670.1000111.9C190 A195 R205 L206 A207 G212 H215C190-H209 WeakPolarHBondContact CB-NE2 3.29Å; C190-H209 PolarHBondContact SG-NE2 3.38Å; A195-H209 VanDerWaalsContact CB-CE1 3.47Å; A195-H209 WeakPolarHBondContact CB-CE1 3.4Å; R205-H209 PolarHBondContact O-N 3.17Å; L206-H209 WeakPolarHBondContact O-CB 3.16Å; L206-H209 PolarHBondContact O-N 2.98Å; A207-H209 VanDerWaalsContact C-N 3.29Å; A207-H209 PolarHBondContact O-N 3.09Å; H209-G212 PolarHBondContact O-N 3.26Å; H209-H215 VanDerWaalsContact O-CB 3.32Å; H209-H215 WeakPolarHBondContact O-CB 3.35Å
210F88.6Confident86.5Confident90 Ų9082.1 Ų82.140%0.39541%0.413SS..Hα-helixtrans-72.6-33.7-178.4-68.2-57.4000113.6L197 L206 A207 G212 H215L197-F210 HydrophobicContact CD2-CZ 4.42Å; L206-F210 HydrophobicContact CD1-CD2 4Å; L206-F210 HydrophobicContact CD1-CE2 3.31Å; L206-F210 HydrophobicContact CD1-CZ 3.9Å; L206-F210 HydrophobicContact CD2-CE2 4Å; L206-F210 HydrophobicContact CG-CD2 3.82Å; L206-F210 HydrophobicContact CG-CE2 3.4Å; L206-F210 HydrophobicContact CG-CZ 4.43Å; L206-F210 WeakPolarHBondContact O-CD2 3.32Å; L206-F210 PolarHBondContact O-N 3.21Å; A207-F210 PolarHBondContact O-N 3.18Å; F210-G212 VanDerWaalsContact C-N 3.3Å; F210-H215 AromaticContact CD1-CD2 3.84Å; F210-H215 AromaticContact CD1-CE1 3.68Å; F210-H215 AromaticContact CD1-NE2 3.49Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.44Å; F210-H215 AromaticContact CE1-CE1 3.92Å
211G87.7Confident87.2Confident51 Ų5175.8 Ų75.853%0.52638%0.383SS..THydrogen-bonded Turntrans-84.5-2.3173.300000113.7A207A207-G211 PolarHBondContact O-N 3.42Å
212G87.6Confident87.5Confident20 Ų2077.2 Ų77.221%0.20639%0.386CS..SBendtrans-69146.9178.100000111.5D208 H209 F210 L214 H215 L216D208-G212 WeakPolarHBondContact O-CA 2.92Å; D208-G212 PolarHBondContact O-N 3.24Å; H209-G212 PolarHBondContact O-N 3.26Å; F210-G212 VanDerWaalsContact C-N 3.3Å; G212-L214 PolarHBondContact O-N 3.49Å; G212-L214 VanDerWaalsContact O-N 3.08Å; G212-H215 PolarHBondContact O-N 3.2Å; G212-L216 PolarHBondContact O-N 3.14Å; G212-L216 VanDerWaalsContact O-N 3.16Å
213K85.8Confident87.8Confident169 Ų16976.6 Ų76.674%0.73538%0.379SS*.Hα-helixtrans-53.4-32.8177.6-61.9-178.4-178.3-178.80113.1T52 G217T52-K213 HydrophobicContact CG2-CB 4.26Å; K213-G217 PolarHBondContact O-N 3.02Å
214L84.8Confident87.8Confident45 Ų4573.6 Ų73.624%0.23636%0.36CS..Hα-helixtrans-61-49.2175-82.9169000112.2T52 R53 M54 G212 F218T52-L214 HydrophobicContact CG2-CD2 3.82Å; T52-L214 HydrophobicContact CG2-CG 3.9Å; T52-L214 VanDerWaalsContact OG1-CD2 3.28Å; T52-L214 WeakPolarHBondContact OG1-CD2 3.3Å; R53-L214 HydrophobicContact CB-CD1 4.28Å; M54-L214 HydrophobicContact CB-CD2 4.36Å; M54-L214 HydrophobicContact CG-CD2 4.38Å; G212-L214 PolarHBondContact O-N 3.49Å; G212-L214 VanDerWaalsContact O-N 3.08Å; L214-F218 HydrophobicContact CD2-CE2 4.39Å; L214-F218 WeakPolarHBondContact O-CD2 3.49Å; L214-F218 PolarHBondContact O-N 3.37Å; L214-F218 VanDerWaalsContact O-N 3.16Å
215H87.6Confident87.7Confident17 Ų1763 Ų638%0.07932%0.32CS..Hα-helixtrans-71.1-45.1-175.6-163.780.9000111.8V192 C193 H209 F210 G212 G217 F218 I219V192-H215 VanDerWaalsContact CB-CE1 3.44Å; V192-H215 WeakPolarHBondContact CB-CE1 3.01Å; C193-H215 WeakPolarHBondContact SG-CA 3.41Å; C193-H215 WeakPolarHBondContact SG-CB 3.48Å; C193-H215 PolarHBondContact SG-ND1 3.24Å; H209-H215 VanDerWaalsContact O-CB 3.32Å; H209-H215 WeakPolarHBondContact O-CB 3.35Å; F210-H215 AromaticContact CD1-CD2 3.84Å; F210-H215 AromaticContact CD1-CE1 3.68Å; F210-H215 AromaticContact CD1-NE2 3.49Å; F210-H215 WeakPolarHBondContact CD1-NE2 3.44Å; F210-H215 AromaticContact CE1-CE1 3.92Å; G212-H215 PolarHBondContact O-N 3.2Å; H215-G217 VanDerWaalsContact C-N 3.35Å; H215-G217 PolarHBondContact O-N 3.16Å; H215-F218 PolarHBondContact O-N 3.08Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.24Å; H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.84Å
216L89Confident87.9Confident80 Ų8062.1 Ų62.142%0.41932%0.322SS..Hα-helixtrans-61.4-43.7175.7-62.2177.3000111.5G212 F218 I219 E220G212-L216 PolarHBondContact O-N 3.14Å; G212-L216 VanDerWaalsContact O-N 3.16Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.15Å; L216-I219 PolarHBondContact O-N 3.3Å; L216-I219 VanDerWaalsContact O-N 3.15Å; L216-E220 WeakPolarHBondContact O-CG 3.45Å; L216-E220 PolarHBondContact O-N 2.77Å
217G87Confident88.1Confident3 Ų363.9 Ų63.93%0.03133%0.329CS..Hα-helixtrans-61.1-39.6177.500000113.4V48 K213 H215 E220 I221V48-G217 VanDerWaalsContact CG1-CA 3.46Å; K213-G217 PolarHBondContact O-N 3.02Å; H215-G217 VanDerWaalsContact C-N 3.35Å; H215-G217 PolarHBondContact O-N 3.16Å; G217-E220 PolarHBondContact O-N 2.83Å; G217-I221 WeakPolarHBondContact O-CB 3.23Å; G217-I221 WeakPolarHBondContact O-CD1 3.36Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.46Å
218F88.2Confident87.9Confident9 Ų961.8 Ų61.84%0.03931%0.309CS..Hα-helixtrans-70.5-34.1174.9-80.6-62.8000113.3L49 F93 C97 V192 C193 L214 H215 L216 R222L49-F218 HydrophobicContact CD1-CE1 4.46Å; L49-F218 HydrophobicContact CD1-CZ 4.46Å; L49-F218 HydrophobicContact CD2-CE2 4.38Å; L49-F218 HydrophobicContact CD2-CZ 4.35Å; F93-F218 HydrophobicContact CE1-CD1 4.46Å; F93-F218 AromaticContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CE1-CE1 3.85Å; F93-F218 HydrophobicContact CZ-CE1 4.13Å; C97-F218 HydrophobicContact CB-CE1 4.4Å; V192-F218 HydrophobicContact CG1-CB 3.33Å; V192-F218 HydrophobicContact CG1-CG 4.25Å; C193-F218 HydrophobicContact CB-CD2 4.38Å; L214-F218 HydrophobicContact CD2-CE2 4.39Å; L214-F218 WeakPolarHBondContact O-CD2 3.49Å; L214-F218 PolarHBondContact O-N 3.37Å; L214-F218 VanDerWaalsContact O-N 3.16Å; H215-F218 PolarHBondContact O-N 3.08Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.15Å; F218-R222 WeakPolarHBondContact O-CB 3.24Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 3.41Å
219I90.5Very high87.7Confident53 Ų5360.7 Ų60.727%0.27230%0.299SS..Hα-helixtrans-63.7-50172.8-68.9167.9000109.4V192 H215 L216 I221 R222 E223V192-I219 HydrophobicContact CG1-CG1 4.35Å; H215-I219 WeakPolarHBondContact CD2-CD1 3.24Å; H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.84Å; L216-I219 PolarHBondContact O-N 3.3Å; L216-I219 VanDerWaalsContact O-N 3.15Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.78Å; I219-R222 WeakPolarHBondContact O-CB 3.34Å; I219-R222 PolarHBondContact O-N 2.79Å; I219-E223 HydrophobicContact CG2-CG 4.12Å; I219-E223 WeakPolarHBondContact O-CG 3.28Å; I219-E223 PolarHBondContact O-N 3.36Å
220E89.1Confident87.8Confident102 Ų10267.9 Ų67.948%0.47733%0.325SS..Hα-helixtrans-56.4-44.6177.4-72.5174.6-170.800111.3L216 G217 R222 K224L216-E220 WeakPolarHBondContact O-CG 3.45Å; L216-E220 PolarHBondContact O-N 2.77Å; G217-E220 PolarHBondContact O-N 2.83Å; E220-R222 VanDerWaalsContact C-N 3.35Å; E220-R222 PolarHBondContact O-N 2.95Å; E220-K224 WeakPolarHBondContact O-CB 3.49Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.36Å
221I88.5Confident87.6Confident2 Ų266 Ų661%0.0132%0.32CS..Hα-helixtrans-63.3-39.4177-70.4165.1000111.8V48 L49 L90 F93 I94 G217 I219 L225V48-I221 HydrophobicContact CB-CD1 4.22Å; V48-I221 HydrophobicContact CB-CG1 4.41Å; V48-I221 HydrophobicContact CG1-CD1 4.05Å; V48-I221 HydrophobicContact CG1-CG1 4.15Å; L49-I221 HydrophobicContact CD1-CD1 4.43Å; L49-I221 HydrophobicContact CD2-CD1 4.45Å; L49-I221 HydrophobicContact CG-CD1 4.22Å; L90-I221 HydrophobicContact CD2-CG2 3.8Å; F93-I221 HydrophobicContact CD1-CG2 4.35Å; F93-I221 HydrophobicContact CE1-CD1 4.13Å; I94-I221 HydrophobicContact CD1-CG2 4.09Å; I94-I221 HydrophobicContact CG1-CG2 4.08Å; G217-I221 WeakPolarHBondContact O-CB 3.23Å; G217-I221 WeakPolarHBondContact O-CD1 3.36Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.46Å; I219-I221 VanDerWaalsContact C-N 3.3Å; I219-I221 PolarHBondContact O-N 2.78Å; I221-L225 WeakPolarHBondContact O-CB 3.39Å; I221-L225 PolarHBondContact O-N 2.98Å
222R87.9Confident87.3Confident67 Ų6764 Ų6425%0.25330%0.298SS..Hα-helixtrans-67.7-49.8177.6-78170-173.9-121.5-8.5111.6I94 D98 E191 F218 I219 E220 K224 L225 E226I94-R222 HydrophobicContact CD1-CB 4.31Å; I94-R222 HydrophobicContact CD1-CG 3.55Å; D98-R222 IonicContact OD1-CZ 3.61Å; D98-R222 IonicContact OD1-NH2 2.71Å; D98-R222 PolarHBondContact OD1-NH2 3.34Å; E191-R222 PolarHBondContact O-NH2 2.82Å; F218-R222 WeakPolarHBondContact O-CB 3.24Å; F218-R222 VanDerWaalsContact O-CG 3.28Å; F218-R222 WeakPolarHBondContact O-CG 3.42Å; F218-R222 PolarHBondContact O-N 3.41Å; I219-R222 WeakPolarHBondContact O-CB 3.34Å; I219-R222 PolarHBondContact O-N 2.79Å; E220-R222 VanDerWaalsContact C-N 3.35Å; E220-R222 PolarHBondContact O-N 2.95Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.31Å; R222-L225 WeakPolarHBondContact O-CB 3.39Å; R222-L225 PolarHBondContact O-N 2.85Å; R222-L225 VanDerWaalsContact O-N 3.11Å; R222-E226 PolarHBondContact O-N 3.19Å
223E90.9Very high87.2Confident107 Ų10765.1 Ų65.150%0.531%0.305SS..Hα-helixtrans-59.5-45.1177.1-71.6-179.4169.400110.7I219 L225 E226 E227I219-E223 HydrophobicContact CG2-CG 4.12Å; I219-E223 WeakPolarHBondContact O-CG 3.28Å; I219-E223 PolarHBondContact O-N 3.36Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.45Å; E223-E226 PolarHBondContact O-N 2.79Å; E223-E226 VanDerWaalsContact O-N 3.12Å; E223-E227 WeakPolarHBondContact O-CG 3.14Å; E223-E227 PolarHBondContact O-N 3.22Å
224K85.2Confident87.3Confident73 Ų7361.1 Ų61.132%0.31729%0.289SS..Hα-helixtrans-62.5-35.3175.7-71.1-70.8159.4-153.60112.6C43 E220 R222 E227 L228C43-K224 VanDerWaalsContact SG-CB 3.52Å; C43-K224 VanDerWaalsContact SG-CD 3.58Å; C43-K224 VanDerWaalsContact SG-CG 3.56Å; E220-K224 WeakPolarHBondContact O-CB 3.49Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.36Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.31Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE1 3.04Å; K224-E227 IonicContact NZ-OE2 2.64Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 2.82Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.95Å
225L87.6Confident87.2Confident4 Ų461.6 Ų61.62%0.02129%0.289CS..Hα-helixtrans-66.4-40173-99.7-176.4000113.4M87 L90 I94 I221 R222 E223 L228 K229M87-L225 HydrophobicContact CG-CD2 4.13Å; L90-L225 VanDerWaalsContact C-CD1 3.48Å; L90-L225 HydrophobicContact CB-CD1 3.63Å; L90-L225 HydrophobicContact CB-CD2 3.3Å; L90-L225 HydrophobicContact CB-CG 3.38Å; L90-L225 HydrophobicContact CD1-CD2 3.93Å; L90-L225 HydrophobicContact CD1-CG 4.01Å; L90-L225 HydrophobicContact CG-CD2 4.28Å; L90-L225 HydrophobicContact CG-CG 4.27Å; L90-L225 WeakPolarHBondContact O-CD1 3.46Å; I94-L225 HydrophobicContact CB-CD1 4.02Å; I94-L225 HydrophobicContact CD1-CB 4.41Å; I94-L225 HydrophobicContact CD1-CD1 3.19Å; I94-L225 HydrophobicContact CD1-CG 4.24Å; I94-L225 HydrophobicContact CG1-CD1 3.53Å; I221-L225 WeakPolarHBondContact O-CB 3.39Å; I221-L225 PolarHBondContact O-N 2.98Å; R222-L225 WeakPolarHBondContact O-CB 3.39Å; R222-L225 PolarHBondContact O-N 2.85Å; R222-L225 VanDerWaalsContact O-N 3.11Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.45Å; L225-L228 PolarHBondContact O-N 3.36Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.39Å; L225-K229 PolarHBondContact O-N 3.4Å
226E89.7Confident86.7Confident136 Ų13666.1 Ų66.164%0.63631%0.31SS*.Hα-helixtrans-66-41.9175.3-69.7-178178.700111.3R222 E223 K229 R230R222-E226 PolarHBondContact O-N 3.19Å; E223-E226 PolarHBondContact O-N 2.79Å; E223-E226 VanDerWaalsContact O-N 3.12Å; E226-K229 PolarHBondContact O-N 3.48Å; E226-R230 VanDerWaalsContact O-CB 3.31Å; E226-R230 WeakPolarHBondContact O-CB 3.3Å; E226-R230 PolarHBondContact O-N 2.83Å
227E88Confident86.5Confident94 Ų9467.7 Ų67.744%0.43932%0.315SS..Hα-helixtrans-58.4-49.9172-72.9178.6179.300111.3E223 K224 K229 R230 V231E223-E227 WeakPolarHBondContact O-CG 3.14Å; E223-E227 PolarHBondContact O-N 3.22Å; K224-E227 WeakPolarHBondContact CD-OE2 3.25Å; K224-E227 IonicContact NZ-OE1 3.04Å; K224-E227 IonicContact NZ-OE2 2.64Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 2.82Å; E227-K229 PolarHBondContact O-N 2.98Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 VanDerWaalsContact O-N 3.17Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 2.9Å
228L85.1Confident86.4Confident15 Ų1573 Ų738%0.07934%0.338CS..Hα-helixtrans-64.2-42.3179.3-73.9171.6000111.9L41 E83 A86 M87 L90 K224 L225 R230 V231 V232L41-L228 HydrophobicContact CD1-CD2 4.23Å; E83-L228 HydrophobicContact CB-CD2 4.2Å; E83-L228 HydrophobicContact CG-CD2 4.17Å; A86-L228 HydrophobicContact CB-CD1 4.37Å; M87-L228 HydrophobicContact CB-CB 4.43Å; L90-L228 HydrophobicContact CD1-CD1 3.53Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 VanDerWaalsContact O-CG 3.26Å; K224-L228 WeakPolarHBondContact O-CG 3.35Å; K224-L228 PolarHBondContact O-N 2.95Å; L225-L228 PolarHBondContact O-N 3.36Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 3.48Å; L228-V231 PolarHBondContact O-N 2.82Å; L228-V232 WeakPolarHBondContact O-CB 3.47Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 3.26Å
229K86.4Confident86.1Confident98 Ų9879.4 Ų79.443%0.42636%0.362SS..Hα-helixtrans-59.7-41173.4-77172.1-177.8175.10111.2M87 L225 E226 E227 A233M87-K229 HydrophobicContact CG-CG 4.33Å; M87-K229 HydrophobicContact SD-CG 4.08Å; L225-K229 WeakPolarHBondContact O-CB 3.38Å; L225-K229 WeakPolarHBondContact O-CG 3.39Å; L225-K229 PolarHBondContact O-N 3.4Å; E226-K229 PolarHBondContact O-N 3.48Å; E227-K229 PolarHBondContact O-N 2.98Å; K229-A233 WeakPolarHBondContact O-CB 3.38Å; K229-A233 PolarHBondContact O-N 2.81Å
230R88Confident85.8Confident191 Ų19181.4 Ų81.472%0.72137%0.373SS*.Hα-helixtrans-65.9-45.4177-175.4-178.7176.8-175.6-0.1111.7E226 E227 L228 A233 E234E226-R230 VanDerWaalsContact O-CB 3.31Å; E226-R230 WeakPolarHBondContact O-CB 3.3Å; E226-R230 PolarHBondContact O-N 2.83Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 VanDerWaalsContact O-N 3.17Å; L228-R230 VanDerWaalsContact C-N 3.28Å; L228-R230 PolarHBondContact O-N 3.48Å; R230-A233 PolarHBondContact O-N 3.1Å; R230-E234 WeakPolarHBondContact O-CB 2.78Å; R230-E234 PolarHBondContact O-N 2.85Å
231V84.3Confident85.6Confident50 Ų5081.3 Ų81.330%0.30337%0.372SS..Hα-helixtrans-63.5-44.5177.7173.40000110.6E83 E227 L228 E234 K235E83-V231 WeakPolarHBondContact OE2-CG1 3.2Å; E227-V231 WeakPolarHBondContact O-CG2 3.46Å; E227-V231 PolarHBondContact O-N 2.9Å; L228-V231 PolarHBondContact O-N 2.82Å; V231-E234 PolarHBondContact O-N 3.36Å; V231-K235 HydrophobicContact CG1-CD 4.17Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.41Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.41Å; V231-K235 PolarHBondContact O-N 2.82Å
232V82.5Confident85.6Confident10 Ų1085.8 Ų85.86%0.06139%0.393CS..Hα-helixtrans-63.5-43.9176.3170.40000110.8E83 L84 M87 L228 K235 Q236E83-V232 HydrophobicContact CB-CG2 4.31Å; L84-V232 HydrophobicContact CD2-CB 4.35Å; L84-V232 HydrophobicContact CD2-CG1 3.58Å; L84-V232 HydrophobicContact CD2-CG2 3.74Å; M87-V232 HydrophobicContact SD-CB 4.46Å; M87-V232 HydrophobicContact SD-CG1 4.5Å; M87-V232 HydrophobicContact SD-CG2 4.27Å; L228-V232 WeakPolarHBondContact O-CB 3.47Å; L228-V232 VanDerWaalsContact O-CG2 3.22Å; L228-V232 WeakPolarHBondContact O-CG2 3.38Å; L228-V232 PolarHBondContact O-N 3.26Å; V232-K235 PolarHBondContact O-N 3.49Å; V232-Q236 HydrophobicContact CG1-CG 4.36Å; V232-Q236 WeakPolarHBondContact O-CB 3.34Å; V232-Q236 VanDerWaalsContact O-CG 3.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 3.49Å
233A85.3Confident85.5Confident42 Ų4289.3 Ų89.335%0.34741%0.406SS..Hα-helixtrans-61.9-46.1175.700000111.4K229 R230 K235 Q236 E237K229-A233 WeakPolarHBondContact O-CB 3.38Å; K229-A233 PolarHBondContact O-N 2.81Å; R230-A233 PolarHBondContact O-N 3.1Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.29Å; A233-Q236 CarbonylContact O-C 3.52Å; A233-Q236 PolarHBondContact O-N 2.97Å; A233-E237 WeakPolarHBondContact O-CB 3.46Å; A233-E237 WeakPolarHBondContact O-CG 3.45Å; A233-E237 PolarHBondContact O-N 3.46Å
234E87.3Confident85.4Confident86 Ų8688.7 Ų88.740%0.40241%0.406SS..Hα-helixtrans-62.2-40.5177-170.6-173.416100111.5R230 V231 E237 K238R230-E234 WeakPolarHBondContact O-CB 2.78Å; R230-E234 PolarHBondContact O-N 2.85Å; V231-E234 PolarHBondContact O-N 3.36Å; E234-E237 PolarHBondContact O-N 3.43Å; E234-K238 HydrophobicContact CG-CD 4.4Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 VanDerWaalsContact O-CG 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.33Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 3.49Å; E234-K238 PolarHBondContact OE1-NZ 2.86Å
235K82.7Confident85.6Confident55 Ų5591.4 Ų91.424%0.23942%0.418CS..Hα-helixtrans-66.5-40.9174.8-74.4-177.2-175.5-173.30111.8D79 E83 V231 V232 A233 K238 R239D79-K235 WeakPolarHBondContact OD1-CE 3.48Å; D79-K235 IonicContact OD1-NZ 2.69Å; D79-K235 PolarHBondContact OD1-NZ 3.25Å; E83-K235 IonicContact OE1-NZ 3.23Å; E83-K235 PolarHBondContact OE1-NZ 3.33Å; E83-K235 WeakPolarHBondContact OE2-CD 3.45Å; E83-K235 VanDerWaalsContact OE2-CE 3.25Å; E83-K235 WeakPolarHBondContact OE2-CE 3.42Å; E83-K235 IonicContact OE2-NZ 2.68Å; E83-K235 PolarHBondContact OE2-NZ 2.78Å; V231-K235 HydrophobicContact CG1-CD 4.17Å; V231-K235 HydrophobicContact CG1-CG 4.49Å; V231-K235 WeakPolarHBondContact O-CB 3.41Å; V231-K235 VanDerWaalsContact O-CG 3.3Å; V231-K235 WeakPolarHBondContact O-CG 3.41Å; V231-K235 PolarHBondContact O-N 2.82Å; V232-K235 PolarHBondContact O-N 3.49Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.29Å; K235-K238 PolarHBondContact O-N 3.38Å; K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.19Å; K235-R239 PolarHBondContact O-N 3.22Å
236Q78.7Confident85.5Confident111 Ų11198 Ų9852%0.51944%0.443SS..Hα-helixtrans-64.6-41.4174.2-74.2179.615.600111.4V232 A233 R239 N240V232-Q236 HydrophobicContact CG1-CG 4.36Å; V232-Q236 WeakPolarHBondContact O-CB 3.34Å; V232-Q236 VanDerWaalsContact O-CG 3.23Å; V232-Q236 WeakPolarHBondContact O-CG 3.35Å; V232-Q236 PolarHBondContact O-N 3.49Å; A233-Q236 CarbonylContact O-C 3.52Å; A233-Q236 PolarHBondContact O-N 2.97Å; Q236-R239 PolarHBondContact O-N 3.11Å; Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.45Å; Q236-N240 PolarHBondContact O-N 3.18Å; Q236-N240 PolarHBondContact O-ND2 2.94Å
237E84.6Confident85.5Confident114 Ų11498.6 Ų98.653%0.53344%0.439SS..Hα-helixtrans-64.5-47175-77.7-175.7-179.700111.7A233 E234 R239 N240 Q241A233-E237 WeakPolarHBondContact O-CB 3.46Å; A233-E237 WeakPolarHBondContact O-CG 3.45Å; A233-E237 PolarHBondContact O-N 3.46Å; E234-E237 PolarHBondContact O-N 3.43Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.29Å; E237-N240 CarbonylContact O-C 3.5Å; E237-N240 PolarHBondContact O-N 3.45Å; E237-N240 VanDerWaalsContact O-N 3.11Å; E237-Q241 VanDerWaalsContact O-CB 3.32Å; E237-Q241 WeakPolarHBondContact O-CB 3.08Å; E237-Q241 VanDerWaalsContact O-CG 3.24Å; E237-Q241 WeakPolarHBondContact O-CG 3.41Å; E237-Q241 PolarHBondContact O-N 3.38Å
238K85.2Confident85.6Confident115 Ų11598.4 Ų98.450%0.544%0.438SS..Hα-helixtrans-56.7-44.5173.8-76.8173.3-176.7168.30111E234 K235 N240 Q241 E242E234-K238 HydrophobicContact CG-CD 4.4Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 VanDerWaalsContact O-CG 3.29Å; E234-K238 WeakPolarHBondContact O-CG 3.33Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE1-CE 3.38Å; E234-K238 IonicContact OE1-NZ 3.49Å; E234-K238 PolarHBondContact OE1-NZ 2.86Å; K235-K238 PolarHBondContact O-N 3.38Å; K238-N240 PolarHBondContact O-N 2.8Å; K238-Q241 PolarHBondContact O-N 3.09Å; K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.32Å
239R80.8Confident85.8Confident143 Ų143103.3 Ų103.354%0.5446%0.46SS..Hα-helixtrans-64.6-39.1176.3-167.2-179.2-169.8-165.93.7112.1K235 Q236 E237 R243K235-R239 VanDerWaalsContact O-CB 3.3Å; K235-R239 WeakPolarHBondContact O-CB 3.19Å; K235-R239 PolarHBondContact O-N 3.22Å; Q236-R239 PolarHBondContact O-N 3.11Å; E237-R239 VanDerWaalsContact C-N 3.28Å; E237-R239 PolarHBondContact O-N 3.29Å; R239-R243 WeakPolarHBondContact O-CB 3.43Å; R239-R243 WeakPolarHBondContact O-CG 3.37Å; R239-R243 PolarHBondContact O-N 3.01Å
240N85.1Confident85.9Confident95 Ų95106 Ų10651%0.50847%0.468SS..Hα-helixtrans-71.6-40.6177.8-73.4-19.5000111.7Q236 E237 K238 R243 L244Q236-N240 VanDerWaalsContact O-CB 3.28Å; Q236-N240 WeakPolarHBondContact O-CB 3.45Å; Q236-N240 PolarHBondContact O-N 3.18Å; Q236-N240 PolarHBondContact O-ND2 2.94Å; E237-N240 CarbonylContact O-C 3.5Å; E237-N240 PolarHBondContact O-N 3.45Å; E237-N240 VanDerWaalsContact O-N 3.11Å; K238-N240 PolarHBondContact O-N 2.8Å; N240-R243 WeakPolarHBondContact O-CB 3.28Å; N240-R243 PolarHBondContact O-N 2.84Å; N240-L244 WeakPolarHBondContact O-CB 3.49Å; N240-L244 PolarHBondContact O-N 3.01Å
241Q84.2Confident86Confident100 Ų100100.5 Ų100.547%0.46745%0.45SS..Hα-helixtrans-64.5-41.2173.8-73178.921.900111.1E237 K238 R243 L244 K245E237-Q241 VanDerWaalsContact O-CB 3.32Å; E237-Q241 WeakPolarHBondContact O-CB 3.08Å; E237-Q241 VanDerWaalsContact O-CG 3.24Å; E237-Q241 WeakPolarHBondContact O-CG 3.41Å; E237-Q241 PolarHBondContact O-N 3.38Å; K238-Q241 PolarHBondContact O-N 3.09Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; Q241-L244 PolarHBondContact O-N 3.01Å; Q241-K245 WeakPolarHBondContact O-CB 3.36Å; Q241-K245 VanDerWaalsContact O-CG 3.25Å; Q241-K245 WeakPolarHBondContact O-CG 3.3Å; Q241-K245 PolarHBondContact O-N 2.71Å
242E87.8Confident86.1Confident95 Ų95107 Ų10744%0.44447%0.469SS..Hα-helixtrans-64.2-42.1174.6-164.1-163.2157.900111K238 L244 K245 R246K238-E242 WeakPolarHBondContact O-CB 3.39Å; K238-E242 PolarHBondContact O-N 3.32Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 2.83Å; E242-K245 PolarHBondContact O-N 3.03Å; E242-R246 WeakPolarHBondContact O-CB 3.48Å; E242-R246 VanDerWaalsContact O-CG 3.26Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.36Å; E242-R246 IonicContact OE1-CZ 3.15Å; E242-R246 VanDerWaalsContact OE1-CZ 3.23Å; E242-R246 IonicContact OE1-NE 3.89Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 3.17Å; E242-R246 PolarHBondContact OE1-NH2 3.24Å
243R86.3Confident86.4Confident141 Ų141110.8 Ų110.853%0.53249%0.487SS..Hα-helixtrans-62.3-40.4173.4-75.2171.9177.5-142.20.8112.2R239 N240 Q241 R247R239-R243 WeakPolarHBondContact O-CB 3.43Å; R239-R243 WeakPolarHBondContact O-CG 3.37Å; R239-R243 PolarHBondContact O-N 3.01Å; N240-R243 WeakPolarHBondContact O-CB 3.28Å; N240-R243 PolarHBondContact O-N 2.84Å; Q241-R243 VanDerWaalsContact C-N 3.35Å; R243-R247 WeakPolarHBondContact O-CB 3.36Å; R243-R247 PolarHBondContact O-N 2.77Å
244L89.1Confident86.5Confident94 Ų94114.7 Ų114.749%0.49250%0.498SS..Hα-helixtrans-66.4-49.1177-164.696.7000110.5N240 Q241 E242 R246 R247 E248N240-L244 WeakPolarHBondContact O-CB 3.49Å; N240-L244 PolarHBondContact O-N 3.01Å; Q241-L244 PolarHBondContact O-N 3.01Å; E242-L244 VanDerWaalsContact C-N 3.34Å; E242-L244 PolarHBondContact O-N 2.83Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-R246 PolarHBondContact O-N 2.87Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.47Å; L244-R247 VanDerWaalsContact O-CB 3.32Å; L244-R247 WeakPolarHBondContact O-CB 3.21Å; L244-R247 PolarHBondContact O-N 3.15Å; L244-E248 WeakPolarHBondContact CD2-OE1 3.32Å; L244-E248 HydrophobicContact CG-CG 4.48Å; L244-E248 WeakPolarHBondContact O-CG 3.37Å; L244-E248 PolarHBondContact O-N 2.88Å
245K88.6Confident86.5Confident131 Ų131118.7 Ų118.757%0.5751%0.509SS*.Hα-helixtrans-57.2-45.9175.7-74.3173-177.5176.80111.6Q241 E242 R247 E248 E249Q241-K245 WeakPolarHBondContact O-CB 3.36Å; Q241-K245 VanDerWaalsContact O-CG 3.25Å; Q241-K245 WeakPolarHBondContact O-CG 3.3Å; Q241-K245 PolarHBondContact O-N 2.71Å; E242-K245 PolarHBondContact O-N 3.03Å; K245-R247 PolarHBondContact O-N 2.92Å; K245-E248 PolarHBondContact O-N 3.4Å; K245-E249 VanDerWaalsContact O-CB 3.25Å; K245-E249 WeakPolarHBondContact O-CB 3.39Å; K245-E249 PolarHBondContact O-N 3.48Å
246R86.5Confident86.6Confident143 Ų143120.5 Ų120.554%0.5452%0.518SS..Hα-helixtrans-63.6-27.6174-72.6174.7-177.5-118.18.4112.7E242 L244 R250E242-R246 WeakPolarHBondContact O-CB 3.48Å; E242-R246 VanDerWaalsContact O-CG 3.26Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 3.36Å; E242-R246 IonicContact OE1-CZ 3.15Å; E242-R246 VanDerWaalsContact OE1-CZ 3.23Å; E242-R246 IonicContact OE1-NE 3.89Å; E242-R246 PolarHBondContact OE1-NE 3.48Å; E242-R246 IonicContact OE1-NH2 3.17Å; E242-R246 PolarHBondContact OE1-NH2 3.24Å; L244-R246 VanDerWaalsContact C-N 3.35Å; L244-R246 PolarHBondContact O-N 2.87Å; R246-R250 VanDerWaalsContact O-CG 3.26Å; R246-R250 WeakPolarHBondContact O-CG 3.25Å; R246-R250 PolarHBondContact O-N 2.99Å; R246-R250 PolarHBondContact O-NE 3.41Å
247R89.1Confident86.9Confident148 Ų148121 Ų12156%0.55852%0.519SS*.Hα-helixtrans-77.4-46.5174.1-178.7-178.1175.1169.63.4110.9R243 L244 K245 E249 R250 E251R243-R247 WeakPolarHBondContact O-CB 3.36Å; R243-R247 PolarHBondContact O-N 2.77Å; L244-R247 CarbonylContact O-C 3.58Å; L244-R247 WeakPolarHBondContact O-CA 3.47Å; L244-R247 VanDerWaalsContact O-CB 3.32Å; L244-R247 WeakPolarHBondContact O-CB 3.21Å; L244-R247 PolarHBondContact O-N 3.15Å; K245-R247 PolarHBondContact O-N 2.92Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-E249 PolarHBondContact O-N 3.48Å; R247-R250 WeakPolarHBondContact O-CB 3.37Å; R247-R250 PolarHBondContact O-N 3.38Å; R247-E251 IonicContact CZ-OE1 3.66Å; R247-E251 IonicContact NE-OE1 2.92Å; R247-E251 PolarHBondContact NE-OE1 3.27Å; R247-E251 IonicContact NH2-OE1 3.21Å; R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.36Å
248E89.3Confident86.9Confident90 Ų90121 Ų12142%0.42152%0.522SS..Hα-helixtrans-62.7-38.3176.9-71-178.417000112.3L244 K245 E251 R252L244-E248 WeakPolarHBondContact CD2-OE1 3.32Å; L244-E248 HydrophobicContact CG-CG 4.48Å; L244-E248 WeakPolarHBondContact O-CG 3.37Å; L244-E248 PolarHBondContact O-N 2.88Å; K245-E248 PolarHBondContact O-N 3.4Å; E248-E251 PolarHBondContact O-N 3.12Å; E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.29Å; E248-R252 PolarHBondContact O-N 2.95Å
249E90.1Very high86.7Confident117 Ų117124.7 Ų124.755%0.54753%0.533SS..Hα-helixtrans-62.6-46.6173.8-175.3177.6-163.100110.6K245 R247 E251 R252 E253K245-E249 VanDerWaalsContact O-CB 3.25Å; K245-E249 WeakPolarHBondContact O-CB 3.39Å; K245-E249 PolarHBondContact O-N 3.48Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-E249 PolarHBondContact O-N 3.48Å; E249-E251 PolarHBondContact O-N 2.91Å; E249-R252 PolarHBondContact O-N 2.97Å; E249-E253 WeakPolarHBondContact O-CG 3.44Å; E249-E253 PolarHBondContact O-N 2.85Å
250R88.7Confident86.5Confident155 Ų155125.7 Ų125.759%0.58554%0.536SS*.Hα-helixtrans-60.2-43.5173.5-76.9-178.8-75.2170.6-1.9112.1R246 R247 E253 E254R246-R250 VanDerWaalsContact O-CG 3.26Å; R246-R250 WeakPolarHBondContact O-CG 3.25Å; R246-R250 PolarHBondContact O-N 2.99Å; R246-R250 PolarHBondContact O-NE 3.41Å; R247-R250 WeakPolarHBondContact O-CB 3.37Å; R247-R250 PolarHBondContact O-N 3.38Å; R250-E253 PolarHBondContact O-N 2.87Å; R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 WeakPolarHBondContact O-CG 3.5Å; R250-E254 PolarHBondContact O-N 2.87Å
251E89.5Confident86.1Confident75 Ų75124.4 Ų124.435%0.3554%0.535SS..Hα-helixtrans-67.2-36.4177.3-74.3-178.3-165.500112.3R247 E248 E249 R255R247-E251 IonicContact CZ-OE1 3.66Å; R247-E251 IonicContact NE-OE1 2.92Å; R247-E251 PolarHBondContact NE-OE1 3.27Å; R247-E251 IonicContact NH2-OE1 3.21Å; R247-E251 WeakPolarHBondContact O-CG 3.39Å; R247-E251 PolarHBondContact O-N 3.36Å; E248-E251 PolarHBondContact O-N 3.12Å; E249-E251 PolarHBondContact O-N 2.91Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 VanDerWaalsContact O-CG 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.84Å
252R87.6Confident85.4Confident187 Ų187129 Ų12971%0.70655%0.548SS*.Hα-helixtrans-65.5-47.1172.5-83.4-172.5-161.3-168.56.4111.4E248 E249 E254 R255 E256E248-R252 WeakPolarHBondContact O-CB 3.47Å; E248-R252 WeakPolarHBondContact O-CG 3.29Å; E248-R252 PolarHBondContact O-N 2.95Å; E249-R252 PolarHBondContact O-N 2.97Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 3.4Å; R252-R255 PolarHBondContact O-N 2.89Å; R252-E256 WeakPolarHBondContact O-CB 3.43Å; R252-E256 PolarHBondContact O-N 3.08Å
253E88.1Confident84.2Confident90 Ų90128.9 Ų128.942%0.42156%0.558SS.*Hα-helixtrans-60-42.1176.4-77-166.8-179.200111.8E249 R250 E256 K257E249-E253 WeakPolarHBondContact O-CG 3.44Å; E249-E253 PolarHBondContact O-N 2.85Å; R250-E253 PolarHBondContact O-N 2.87Å; E253-E256 PolarHBondContact O-N 3.23Å; E253-K257 WeakPolarHBondContact O-CB 3.27Å; E253-K257 VanDerWaalsContact O-CG 3.23Å; E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.36Å; E253-K257 IonicContact OE2-NZ 2.64Å; E253-K257 PolarHBondContact OE2-NZ 3.44Å
254E87.2Confident83.1Confident124 Ų124130.3 Ų130.358%0.57957%0.57SS**Hα-helixtrans-65.5-43.6175.9-77.7-172.4167.900111.9R250 R252 E256 K257 L258R250-E254 WeakPolarHBondContact O-CB 3.39Å; R250-E254 WeakPolarHBondContact O-CG 3.5Å; R250-E254 PolarHBondContact O-N 2.87Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 3.4Å; E254-E256 VanDerWaalsContact C-N 3.31Å; E254-E256 PolarHBondContact O-N 3.28Å; E254-K257 PolarHBondContact O-N 3.33Å; E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 WeakPolarHBondContact O-CG 3.29Å; E254-L258 PolarHBondContact O-N 3.48Å
255R86.6Confident81.7Confident170 Ų170130 Ų13064%0.64258%0.576SS**Hα-helixtrans-61.4-38.8173.6-77.5176.3-176.3-110.53112E251 R252 L258 R259E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 VanDerWaalsContact O-CG 3.28Å; E251-R255 WeakPolarHBondContact O-CG 3.35Å; E251-R255 PolarHBondContact O-N 2.84Å; R252-R255 PolarHBondContact O-N 2.89Å; R255-L258 PolarHBondContact O-N 2.91Å; R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CG 3.44Å; R255-R259 PolarHBondContact O-N 3.06Å
256E86.1Confident79.9Confident93 Ų93131.9 Ų131.944%0.43558%0.584SS.*Hα-helixtrans-68.5-42.8176.8-166.1-174.9174.700111.6R252 E253 E254 L258 R259 R260R252-E256 WeakPolarHBondContact O-CB 3.43Å; R252-E256 PolarHBondContact O-N 3.08Å; E253-E256 PolarHBondContact O-N 3.23Å; E254-E256 VanDerWaalsContact C-N 3.31Å; E254-E256 PolarHBondContact O-N 3.28Å; E256-L258 PolarHBondContact O-N 3.21Å; E256-R259 PolarHBondContact O-N 3.16Å; E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 IonicContact OE1-CZ 2.94Å; E256-R260 IonicContact OE1-NE 2.8Å; E256-R260 IonicContact OE1-NH1 2.71Å; E256-R260 PolarHBondContact OE1-NH1 2.86Å; E256-R260 IonicContact OE1-NH2 2.73Å; E256-R260 PolarHBondContact OE1-NH2 2.94Å
257K85.4Confident78.2Confident121 Ų121132.3 Ų132.353%0.52660%0.597SS.*Hα-helixtrans-59.7-44.4172.7-73.8165.3-171.6159.40111.2E253 E254 R260 S261E253-K257 WeakPolarHBondContact O-CB 3.27Å; E253-K257 VanDerWaalsContact O-CG 3.23Å; E253-K257 WeakPolarHBondContact O-CG 3.44Å; E253-K257 PolarHBondContact O-N 3.36Å; E253-K257 IonicContact OE2-NZ 2.64Å; E253-K257 PolarHBondContact OE2-NZ 3.44Å; E254-K257 PolarHBondContact O-N 3.33Å; K257-R260 PolarHBondContact O-N 3.46Å; K257-S261 PolarHBondContact O-N 3.17Å; K257-S261 PolarHBondContact O-OG 3.38Å
258L84.1Confident76.6Confident115 Ų115130 Ų13060%0.60260%0.602SS**Hα-helixtrans-61.9-44.8175.1-76.8165.7000111.8E254 R255 E256 S261 R262E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 WeakPolarHBondContact O-CG 3.29Å; E254-L258 PolarHBondContact O-N 3.48Å; R255-L258 PolarHBondContact O-N 2.91Å; E256-L258 PolarHBondContact O-N 3.21Å; L258-S261 WeakPolarHBondContact CA-OG 3.38Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-S261 PolarHBondContact O-OG 2.95Å; L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 2.93Å
259R80.8Confident74.5Confident192 Ų192135.3 Ų135.373%0.72562%0.623SS**Hα-helixtrans-59.8-47.7174.7-77178.5176.4-167-0.6111.7R255 E256 S261 R262 S263R255-R259 WeakPolarHBondContact O-CB 3.35Å; R255-R259 WeakPolarHBondContact O-CG 3.44Å; R255-R259 PolarHBondContact O-N 3.06Å; E256-R259 PolarHBondContact O-N 3.16Å; R259-S261 PolarHBondContact O-N 3.17Å; R259-R262 PolarHBondContact O-N 3.45Å; R259-S263 PolarHBondContact O-N 3.43Å; R259-S263 PolarHBondContact O-OG 3.05Å
260R77Confident72.3Confident163 Ų163141.1 Ų141.162%0.61564%0.64SS**Hα-helixtrans-60-42.8177.2-75.6179.9179.1149-0.5112.4E256 K257 H264E256-R260 PolarHBondContact O-N 3.46Å; E256-R260 IonicContact OE1-CZ 2.94Å; E256-R260 IonicContact OE1-NE 2.8Å; E256-R260 IonicContact OE1-NH1 2.71Å; E256-R260 PolarHBondContact OE1-NH1 2.86Å; E256-R260 IonicContact OE1-NH2 2.73Å; E256-R260 PolarHBondContact OE1-NH2 2.94Å; K257-R260 PolarHBondContact O-N 3.46Å; R260-H264 PolarHBondContact O-N 3.15Å; R260-H264 VanDerWaalsContact O-N 3.14Å
261S77.1Confident70.1Confident69 Ų69139.3 Ų139.348%0.48365%0.651SS.*Hα-helixtrans-67.5-37.5177.2660000113.1K257 L258 R259 H264 S265K257-S261 PolarHBondContact O-N 3.17Å; K257-S261 PolarHBondContact O-OG 3.38Å; L258-S261 WeakPolarHBondContact CA-OG 3.38Å; L258-S261 PolarHBondContact O-N 3.48Å; L258-S261 PolarHBondContact O-OG 2.95Å; R259-S261 PolarHBondContact O-N 3.17Å; S261-H264 PolarHBondContact O-N 3.45Å; S261-S265 PolarHBondContact O-N 3.14Å
262R69Low68Low196 Ų196147.3 Ų147.374%0.7468%0.678SS**Hα-helixtrans-71.6-33.9177.9-157.3171.2-178.5137.4-2.2112.4L258 R259 H264 S265L258-R262 WeakPolarHBondContact O-CB 3.38Å; L258-R262 PolarHBondContact O-N 2.93Å; R259-R262 PolarHBondContact O-N 3.45Å; R262-H264 VanDerWaalsContact C-N 3.32Å; R262-S265 PolarHBondContact O-N 2.82Å
263S62.9Low66.1Low92 Ų92143.8 Ų143.864%0.64368%0.682SS**Hα-helixtrans-65.5-34.8170.5-54.30000112.2R259 S265 K266R259-S263 PolarHBondContact O-N 3.43Å; R259-S263 PolarHBondContact O-OG 3.05Å; S263-S265 VanDerWaalsContact C-N 3.32Å; S263-K266 PolarHBondContact O-N 3.09Å
264H62.9Low63.8Low171 Ų171150.7 Ų150.779%0.79270%0.704SS**Hα-helixtrans-72.8-25.1177.6-161.862.6000112.9R260 S261 R262R260-H264 PolarHBondContact O-N 3.15Å; R260-H264 VanDerWaalsContact O-N 3.14Å; S261-H264 PolarHBondContact O-N 3.45Å; R262-H264 VanDerWaalsContact C-N 3.32Å
265S58.5Low61.4Low89 Ų89151.4 Ų151.462%0.62271%0.708SS**THydrogen-bonded Turntrans-85.5-5.2177.3-170.60000114.6S261 R262 S263 N267S261-S265 PolarHBondContact O-N 3.14Å; R262-S265 PolarHBondContact O-N 2.82Å; S263-S265 VanDerWaalsContact C-N 3.32Å; S265-N267 PolarHBondContact O-N 3.45Å
266K50.9Low59.3Low170 Ų170151.2 Ų151.274%0.73971%0.714SS**SBendtrans-98.458.7172.5-78.3-168.2174.2-173.60111.7S263S263-K266 PolarHBondContact O-N 3.09Å
267N51.8Low57Low151 Ų151155.9 Ų155.981%0.80773%0.727SS**  trans-173.474.2140.9-107.7-48.7000112.5S265S265-N267 PolarHBondContact O-N 3.45Å
268P55.8Low54.8Low101 Ų101161.5 Ų161.566%0.65675%0.745SS**  trans-85.8104.1155.123.6-9000107.8
269K45.2Very low52.6Low200 Ų200164.1 Ų164.187%0.8775%0.754SS**  trans167.487.1150.2-90.3159.1-166.4-171.10110.2
270R43.7Very low50.8Low240 Ų240166.8 Ų166.891%0.90676%0.764SS**  trans-141.386.3140.5-154.2165.2-175.8167.30.4109.2R272R270-R272 PolarHBondContact O-N 2.91Å
271S43.1Very low48.9Very low117 Ų117164.4 Ų164.482%0.81877%0.772SS**  trans-31.9100.3158.435.80000111.6
272R44.2Very low47.3Very low242 Ų242172.8 Ų172.891%0.91379%0.793SS**  trans-91.7101.4156-100.5-174171.2107.7-2.6107.3R270 R274R270-R272 PolarHBondContact O-N 2.91Å; R272-R274 PolarHBondContact O-N 2.96Å
273S48.7Very low45.8Very low113 Ų113168.9 Ų168.979%0.7980%0.796SS**  trans-47126.9166.5-1750000109.9E275S273-E275 PolarHBondContact O-N 3.22Å
274R38.3Very low44.7Very low235 Ų235172.5 Ų172.589%0.88781%0.805SS**  trans-63.1117.2164.4-74.3167.5163.2146.8-5.8108.5R272R272-R274 PolarHBondContact O-N 2.96Å
275E38.3Very low43.7Very low140 Ų140168.8 Ų168.865%0.65480%0.798SS**  trans-168.7104.2141.4-131.4175.1167.200113S273S273-E275 PolarHBondContact O-N 3.22Å
276H41.7Very low42.8Very low166 Ų166175.9 Ų175.977%0.76981%0.811SS**  trans173.298.3135.1-114.557.8000106.8
277R37.8Very low42.1Very low191 Ų191176.3 Ų176.372%0.72182%0.816SS**  40.393.176.9-64.5-170.4-174.4172.74.9112.3
278R39.6Very low41.5Very low239 Ų239180.3 Ų180.390%0.90282%0.819SS**  -159.7121.8127.7-113.7173.6-175.7-1730.9112.9
279H37.7Very low40.6Very low169 Ų169184.5 Ų184.578%0.78283%0.827SS**  trans-43.5143.3174.2-59.2-93.3000115.6
280R42.8Very low40.1Very low249 Ų249186.6 Ų186.694%0.9483%0.83SS**  trans-143.3101.6138.5-120.5174.7-174.8144.30.6109.1
281S38.2Very low39.8Very low112 Ų112186.8 Ų186.878%0.78383%0.83SS**  trans-63.1122.1165.834.70000109.5
282R42.5Very low39.3Very low246 Ų246187.9 Ų187.993%0.92883%0.832SS**  trans-148.495.1150.8-121.8175.6-177.9139.10.6108.2
283S38.1Very low38.9Very low113 Ų113187.5 Ų187.579%0.7983%0.831SS**  trans-55.5124.7163.226.60000109.9
284M40Very low38.3Very low169 Ų169187.8 Ų187.883%0.83383%0.833SS**  trans-153.2102.2149.1-116.4-74.6106.800108.1R286M284-R286 PolarHBondContact O-N 3.26Å
285S41.2Very low38.2Very low93 Ų93184.7 Ų184.765%0.6583%0.826SS**  trans-53.2120.5170.4177.10000110.3
286R39.3Very low38.2Very low238 Ų238183 Ų18390%0.89883%0.83SS**  trans-142.586.7149.4-78.7-161.8175.5148-0.4109.8M284 R288M284-R286 PolarHBondContact O-N 3.26Å; R286-R288 PolarHBondContact O-N 3.4Å
287E36.7Very low38Very low178 Ų178185 Ų18583%0.83283%0.831SS**  trans-47.9116.2152-171.2157.2-158.800110.7
288R39.5Very low38.2Very low235 Ų235184 Ų18489%0.88783%0.834SS**  trans-160.6104.7151.8-113.1172.3-164.6-148.24.3112.7R286R286-R288 PolarHBondContact O-N 3.4Å
289K37.1Very low38.2Very low189 Ų189182.6 Ų182.682%0.82284%0.835SS**  trans58.7104.2138-80.1176.8174.3172.80118.7R291K289-R291 PolarHBondContact O-N 2.99Å
290R33.9Very low38.3Very low245 Ų245185.6 Ų185.693%0.92584%0.839SS**  trans-25.4122.6132.5-67.5178.9176.4-175.7-1.3112
291R37.6Very low38.2Very low243 Ų243181.8 Ų181.892%0.91783%0.832SS**  trans-143.896147.2-109.1178.1-179.3171.3-0.6108.7K289 R293K289-R291 PolarHBondContact O-N 2.99Å; R291-R293 PolarHBondContact O-N 2.95Å
292T33Very low38.3Very low140 Ų140188.3 Ų188.386%0.85984%0.839SS**  trans-58.7117.9150.942.70000108
293R35.8Very low38.3Very low234 Ų234184.6 Ų184.688%0.88383%0.832SS**  trans-160.1106.5145.4-146.8164176.2109.5-4.9110.7R291 K295R291-R293 PolarHBondContact O-N 2.95Å; R293-K295 PolarHBondContact O-N 3.34Å
294S35.8Very low38.2Very low120 Ų120191.2 Ų191.284%0.83984%0.84SS**  trans-39.7123.1153.9-28.70000110.3
295K36.7Very low38.2Very low169 Ų169188.5 Ų188.574%0.73584%0.837SS**  trans-148.798.2153-154151.7-176.21650109.3R293R293-K295 PolarHBondContact O-N 3.34Å
296S37.2Very low37.8Very low106 Ų106195.5 Ų195.574%0.74185%0.85SS**  trans-33.2133.5148.544.30000111.5
297R38.7Very low37.8Very low207 Ų207189.9 Ų189.978%0.78185%0.847SS**  trans-170.8111.3138.7-103.3161.6-172.3-170-0.2110.2
298E40.4Very low37.8Very low170 Ų170186.4 Ų186.479%0.79484%0.842SS**  trans35.4111.4143.7-72174.8138.800118.6R300E298-R300 PolarHBondContact O-N 2.89Å
299K41.1Very low37.6Very low209 Ų209180.2 Ų180.291%0.90983%0.834SS**  trans-52.194.9155.3-74.5173.6174.4176.30109.6
300R39Very low37.8Very low232 Ų232182.9 Ų182.988%0.87584%0.84SS**  trans-77.2127.3160.5-90-172.7-172.4-1570.9109.9E298 R302E298-R300 PolarHBondContact O-N 2.89Å; R300-R302 PolarHBondContact O-N 3.35Å
301H40.6Very low37.9Very low169 Ų169176.4 Ų176.478%0.78283%0.831SS**  trans-48.3123.1174-66-91.5000111.6H303H301-H303 PolarHBondContact O-N 3.41Å
302R40.3Very low38Very low249 Ų249176.4 Ų176.494%0.9483%0.831SS**  trans-84.3105.1167.6-92.7-177.2-180148.10.3108.6R300R300-R302 PolarHBondContact O-N 3.35Å
303H41.9Very low38.2Very low168 Ų168175.2 Ų175.278%0.77883%0.829SS**  trans-63.6130.7162.3-69.5-84.2000109.5H301 S305H301-H303 PolarHBondContact O-N 3.41Å; H303-S305 PolarHBondContact O-N 3.08Å
304R36.4Very low38.6Very low252 Ų252175.9 Ų175.995%0.95183%0.832SS**  trans-89.591178.5-126.1179.7-175.7132.9-3.3107.4R306R304-R306 PolarHBondContact O-N 3.17Å
305S39.4Very low38.7Very low112 Ų112175.4 Ų175.478%0.78383%0.829SS**  trans-90.3101.1168.2-42.70000108.5H303H303-S305 PolarHBondContact O-N 3.08Å
306R34Very low39Very low241 Ų241175.5 Ų175.591%0.90983%0.831SS**  trans-51.7129.7154-91.6172.3158.6128.4-7.3108R304R304-R306 PolarHBondContact O-N 3.17Å
307S38.1Very low38.9Very low120 Ų120178.8 Ų178.884%0.83984%0.835SS**  trans176.7143.6136.3-78.40000112.6
308S36.8Very low38.8Very low104 Ų104179.2 Ų179.273%0.72784%0.836SS**  trans81.588.5153.3-147.70000119.5
309S36.1Very low38.6Very low105 Ų105175.6 Ų175.673%0.73483%0.83SS**  14.2118.2122.344.80000118.1
310R41.1Very low38.1Very low246 Ų246176.9 Ų176.993%0.92883%0.829SS**  trans-160.1116.6134.3-127.8167.9180147.2-1.6111.9
311S35.4Very low38.1Very low108 Ų108174.4 Ų174.476%0.75583%0.827SS**  trans-54.6142.2166.726.90000112.8
312R41Very low37.8Very low243 Ų243171.3 Ų171.392%0.91782%0.824SS**  trans-163.4104.4145.3-111169.3-173.8149.40.8110.8
313S36.1Very low37.4Very low116 Ų116163.7 Ų163.781%0.81181%0.809SS**  trans-54.4133.8164.1-2.80000111
314R44.5Very low36.8Very low247 Ų247166.2 Ų166.293%0.93281%0.812SS**  trans-145.198.7153.7-101.6-176.6-178.8133.5-0.4109.4
315S37.9Very low36.7Very low111 Ų111158.7 Ų158.778%0.77679%0.79SS**  trans-62.4129.916145.30000110.7
316H43.7Very low36.2Very low171 Ų171162.8 Ų162.879%0.79279%0.789SS**  trans-138.2104.2153.9-146.363000109
317Q34Very low36.1Very low174 Ų174156.3 Ų156.381%0.81378%0.78SS**  trans-78.9148.3165.8-63.7-165.31.300109.8
318R37.3Very low35.9Very low217 Ų217162 Ų16282%0.81978%0.783SS**  trans-174.197.9146.8-101164.1-171-137.32.7107.6
319S36.1Very low35.5Very low93 Ų93165.3 Ų165.365%0.6579%0.787SS**  61.4103.1101.559.60000113.2
320R29.6Very low35.4Very low236 Ų236171 Ų17189%0.89179%0.793SS**  77.294.778.6-163.1-177.1-162.1-178.45.3113.4
321H40.1Very low34.9Very low180 Ų180163.6 Ų163.683%0.83378%0.779SS**  trans-144108.7151.2-58.6-66.6000105.1
322S33.2Very low34.8Very low105 Ų105166.5 Ų166.573%0.73478%0.778SS**  51.512768.4-147.80000110.5
323S33Very low34.2Very low88 Ų88164.3 Ų164.362%0.61577%0.77SS**  cis169.5156.5-5.142.10000104
324R29.4Very low33.9Very low221 Ų221169.1 Ų169.183%0.83477%0.77SS**  trans70.9147.7163.4-75.3179143.3131.2-0.9116.3
325D33.1Very low33.3Very low94 Ų94162.5 Ų162.550%0.50376%0.761SS.*  cis-166.1157.44.7-122.7-46.7000108.4
326R29.1Very low33.1Very low199 Ų199162.1 Ų162.175%0.75176%0.759SS**  trans66.9111139.6-73.7158.9-169-173.2-5.3123.2
327S32Very low32.4Very low105 Ų105162.2 Ų162.273%0.73476%0.757SS**  66.2116.6112.1-43.50000120.6
328R33.7Very low32.2Very low239 Ų239160.2 Ų160.290%0.90275%0.748SS**  174.2113.7111.4-100.5173171145.9-3.5111.9
329E28.8Very low31.8Very low173 Ų173158.7 Ų158.781%0.80874%0.742SS**  23.2114.1123.3-69.5-87.5142.200117.4
330R34.9Very low31.5Very low225 Ų225161.2 Ų161.285%0.84974%0.741SS**  -158.7113.8128.2-149.2167.2-173.4178.52113.3
331S30.3Very low31.7Very low90 Ų90159.6 Ų159.663%0.62974%0.735SS**  trans-46.9148.5162.6-23.50000113.9
332K33Very low31.3Very low169 Ų169158.6 Ų158.674%0.73574%0.736SS**  trans172.2104.3137.1-92.8160-173.2-170.40108
333R29.2Very low31.3Very low198 Ų198161.4 Ų161.475%0.74774%0.737SS**  79119.187-82-170.2177.8-1500.1113.5
334R29.3Very low31.5Very low216 Ų216164.4 Ų164.482%0.81575%0.747SS**  trans54.8119.9134.1-63.3-178.3176.4179.1-3.2118.6
335S32.5Very low31.6Very low108 Ų108162.2 Ų162.276%0.75575%0.751SS**  -179.3110.4119.6-166.60000106.5
336S32.2Very low31.5Very low104 Ų104162.6 Ų162.673%0.72777%0.767SS**  52.5106.283.6-72.80000113
337K28.9Very low31.7Very low173 Ų173158.7 Ų158.775%0.75277%0.77SS**  80.6119.7108.7-166.4159.6179.6151.90116.4
338E30.6Very low31.6Very low132 Ų132158.4 Ų158.462%0.61777%0.767SS**  trans75.3146.1155.8-52.5-99.6149.500114.2
339R28.7Very low31.6Very low185 Ų185153.5 Ų153.570%0.69876%0.759SS**  cis-175.4157.432.3-136.1154.8-162.4-149.45.9109
340F30.2Very low31.6Very low146 Ų146155.5 Ų155.564%0.6476%0.759SS**  trans92.3123142.6-78.9-57000122.9
341R34.9Very low31.4Very low202 Ų202151.3 Ų151.376%0.76275%0.753SS**  trans95.579.1131-86165.8-175.8170.7-0.5116.9
342D30.7Very low31.6Very low159 Ų159159 Ų15985%0.8577%0.768SS**  -43.8121.8119-72.4-68.1000110.9
343Q33.7Very low31.6Very low163 Ų163155.5 Ų155.576%0.76277%0.766SS**  trans-172.4148.1136.4-109165.16.100109.8
344D36.5Very low31.8Very low152 Ų152151.3 Ų151.381%0.81377%0.766SS**  trans90.560.5165.8-45.5-30.1000116.5
345L32.1Very low31.9Very low174 Ų174152.3 Ų152.391%0.91177%0.77SS**  trans-89.9139.6137.8-70.4171.9000108.3
346A30.4Very low32.1Very low103 Ų103154.8 Ų154.885%0.85178%0.775SS**  trans84.681.1165.100000118.1
347S34.1Very low32.1Very low117 Ų117161.5 Ų161.582%0.81879%0.785SS**  trans-179.3135.9133.6-134.50000104
348C28.8Very low32.4Very low98 Ų98158.3 Ų158.366%0.66278%0.784SS**  cis-176.3154.232.336.90000108
349D33.6Very low33.2Very low136 Ų136158 Ų15873%0.72779%0.794SS**  trans71.7113.6150.7-66.9-54.9000120.5
350R28.5Very low33.5Very low216 Ų216160.2 Ų160.282%0.81580%0.802SS**  60.1124.170.7-103.5179-178.5167-0.7112.9
351D32.3Very low33.7Very low137 Ų137161.5 Ų161.573%0.73382%0.815SS**  trans66.891.9155.8-56.6-43.1000118.1
352R33.5Very low33.7Very low250 Ų250163.3 Ų163.394%0.94382%0.822SS**  trans-133.990.4137.5-100.2178.9-169.6169.64111.1
353S32.9Very low33.9Very low97 Ų97162.9 Ų162.968%0.67882%0.82SS**  trans-38.6134.5149.442.10000113.3
354S33.4Very low33.9Very low109 Ų109166.8 Ų166.876%0.76283%0.828SS**  trans19.1101.1140.952.30000118.3
355R31.5Very low33.8Very low237 Ų237169.4 Ų169.489%0.89483%0.832SS**  trans177.5104.6140.3-105.1165.6177.8-179.4-0.4109.8
356D36.9Very low33.8Very low161 Ų161169.3 Ų169.386%0.86183%0.832SS**  trans-170.469136.4-96.2-34.5000109.1S358D356-S358 PolarHBondContact O-N 3.04Å
357R31.7Very low33.9Very low245 Ų245173.7 Ų173.793%0.92583%0.832SS**  trans-77.797.1154.5-83.9-176176.9-175.8-0.4106.3P359R357-P359 WeakPolarHBondContact O-CD 3.47Å
358S36.1Very low33.8Very low105 Ų105178 Ų17873%0.73484%0.836SS**  trans-59.3121.7170.8-85.90000110D356 R360D356-S358 PolarHBondContact O-N 3.04Å; S358-R360 PolarHBondContact O-N 3.1Å; S358-R360 VanDerWaalsContact O-N 3.15Å
359P47.1Very low33.8Very low127 Ų127184.6 Ų184.683%0.82585%0.847SS**SBendtrans-78.897.4178.8-5.722.5000109.4R357R357-P359 WeakPolarHBondContact O-CD 3.47Å
360R33.8Very low33.5Very low231 Ų231182.8 Ų182.887%0.87285%0.845SS**  trans-153.25.6166.5-116.9170.4-166.1-141.11.8118S358S358-R360 PolarHBondContact O-N 3.1Å; S358-R360 VanDerWaalsContact O-N 3.15Å
361D35.6Very low33.6Very low173 Ų173182.2 Ų182.293%0.92584%0.844SS**  trans-116.244.8172.5-78.5-52.4000112.1
362R35.2Very low33.4Very low239 Ų239184 Ų18490%0.90285%0.848SS**  trans-107.111.3172.8-125.5-177.6-169178.41.9114.9
363D35.1Very low33.4Very low150 Ų150176.7 Ų176.780%0.80284%0.836SS**SBendtrans-136.284.3177.2-76.4-58.9000111.2
364R32.7Very low33.4Very low246 Ų246176.6 Ų176.693%0.92884%0.841SS**SBendtrans16582.5148.2-94.7166.8176.2-172.6-0.1111.2
365K34.4Very low33.5Very low207 Ų207179.4 Ų179.490%0.985%0.847SS**  trans18037.4133.3-106.4178.6175.6179.30115.1K367K365-K367 VanDerWaalsContact C-N 3.29Å; K365-K367 PolarHBondContact O-N 3.01Å; K365-K367 VanDerWaalsContact O-N 3.07Å
366D33.1Very low33.2Very low172 Ų172171.6 Ų171.692%0.9284%0.841SS**  trans-79.485156.2-75-44.3000109.3
367K31.2Very low32.7Very low195 Ų195175.3 Ų175.385%0.84884%0.843SS**  trans-162.988.8164.5-113.4173.6-173.9177.60109.5K365K365-K367 VanDerWaalsContact C-N 3.29Å; K365-K367 PolarHBondContact O-N 3.01Å; K365-K367 VanDerWaalsContact O-N 3.07Å
368K32.5Very low32.8Very low208 Ų208169 Ų16990%0.90484%0.835SS**SBendtrans-178.887.8146.2-97.8168.1-173.2-164.20107
369R28.3Very low32.6Very low235 Ų235172.9 Ų172.989%0.88784%0.842SS**  75.588.7105-106.8-176.6178.9-165.2-1.4112Y371R369-Y371 PolarHBondContact O-N 2.94Å
370S27.1Very low31.8Very low98 Ų98173.8 Ų173.869%0.68584%0.84SS**  trans-50.9125.7147.8144.40000108.1
371Y30.4Very low31.7Very low204 Ų204174.4 Ų174.480%0.884%0.843SS**  trans-116.296.8150.665.8-79.7000105R369 S373R369-Y371 PolarHBondContact O-N 2.94Å; Y371-S373 PolarHBondContact O-N 3.01Å
372E28.3Very low31.3Very low176 Ų176177 Ų17782%0.82284%0.839SS**  trans-61.3124.8150.4-75.7172.910200106.8
373S34.8Very low31.2Very low96 Ų96171 Ų17167%0.67183%0.834SS**  trans-13093.7158.7-72.70000106.2Y371 N375Y371-S373 PolarHBondContact O-N 3.01Å; S373-N375 PolarHBondContact O-N 3.37Å; S373-N375 VanDerWaalsContact O-N 3.11Å
374A32.5Very low31Very low95 Ų95168.5 Ų168.579%0.78583%0.828SS**  trans-48.8109156.900000108.7
375N35.9Very low31Very low167 Ų167164.8 Ų164.889%0.89382%0.822SS**  trans-136.564.2155-95.5-6.7000107.3S373S373-N375 PolarHBondContact O-N 3.37Å; S373-N375 VanDerWaalsContact O-N 3.11Å
376G24.6Very low30.9Very low74 Ų74161.6 Ų161.676%0.76381%0.81SS**  trans-98.2106.9145.800000107.2
377R27.1Very low31Very low239 Ų239163.2 Ų163.290%0.90280%0.803SS**  trans-174.1110.3154.1-112.3179.9-176.6-144.7-1.1111.1
378S33.9Very low31.3Very low111 Ų111163.3 Ų163.378%0.77681%0.806SS**  trans149.775.9146.257.10000106.4
379E31.3Very low31.9Very low188 Ų188158.3 Ų158.388%0.87980%0.804SS**  73.8125.591.4-77.8-163.8146.900113.6
380D30Very low32.2Very low146 Ų146150.1 Ų150.178%0.78179%0.793SS**  trans-42.4131.6173.9-60.9-81.9000114.4
381R31Very low32.6Very low244 Ų244154.5 Ų154.592%0.92180%0.802SS**  trans-129.484.5145.6-75.9-169.7176.7-172.5-1.4108.7S383R381-S383 PolarHBondContact O-N 3.47Å
382R28.6Very low33.6Very low226 Ų226156.5 Ų156.585%0.85382%0.824SS**  trans-62.3114.9147.9-76.5-179.7173.5-158.4-2.8106.9
383S33.3Very low33.9Very low115 Ų115155.6 Ų155.680%0.80483%0.825SS**  trans-121.784.6159.8-164.20000106.3R381R381-S383 PolarHBondContact O-N 3.47Å
384S29.2Very low33.9Very low96 Ų96158.7 Ų158.767%0.67183%0.833SS**  trans-114.697.4163.649.10000105
385E33Very low33.9Very low169 Ų169162.2 Ų162.279%0.7984%0.835SS**  trans162.3130.2176.6-97.5163.8-16400102.9
386E32.3Very low33.8Very low140 Ų140161.9 Ų161.965%0.65483%0.832SS**  cis-178.2166.713-141.4-174.2-162.700105.7
387R36.6Very low34.4Very low206 Ų206167.4 Ų167.478%0.77784%0.836SS**  trans9184.2157.4-61.2155.9-167.2-142.9-0.5118.8
388E36Very low34.9Very low196 Ų196162.7 Ų162.792%0.91683%0.832SS**  18.2103.897.8-154.1171.9-146.600114.9
389A45.2Very low34.9Very low103 Ų103166.4 Ų166.485%0.85184%0.836SS**  trans-119.995.2161.700000106.9
390G35.6Very low35.2Very low63 Ų63164.7 Ų164.765%0.64983%0.832SS**  trans-74.8154166.700000112
391E35.6Very low35.7Very low190 Ų190166.3 Ų166.389%0.88884%0.837SS**  trans40118.2142.4-64.1-178.1160.900120.3
392I51.7Low36.1Very low247 Ų247159.2 Ų159.2100%1.26783%0.829SS**  -127.80114.9-61.5179.7000107.8

Retrieved 392 of 392 residues in 1164.1 ms (Link to these results)