A0A2K5L7L7_CERAT Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex.

AlphaFold DB , UniProt , Accession A0A2K5L7L7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene WASF2, Length 498 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
1M43.3Very low74.3Confident219 Ų21999.9 Ų99.9100%1.07951%0.511SS*.  0125.20-75177.270.500108.1L3M1-L3 PolarHBondContact O-N 3.11Å
2P56.7Low75.7Confident132 Ų132100.9 Ų100.986%0.85751%0.511SS*.  trans-70.9101.9168.228.7-28.7000107.6V4P2-V4 PolarHBondContact O-N 2.91Å
3L60.8Low76.7Confident117 Ų11796.4 Ų96.461%0.61349%0.489SS*.  trans-62.9124.3166.9-75.7150.5000106.5M1 T5 V120M1-L3 PolarHBondContact O-N 3.11Å; L3-T5 WeakPolarHBondContact O-CG2 3.44Å; L3-T5 PolarHBondContact O-N 3.46Å; L3-V120 HydrophobicContact CD1-CG1 4.26Å
4V66Low77.2Confident101 Ų10194.7 Ų94.761%0.61249%0.489SS*.  trans-65.8104.1172-176.10000106.3P2 N7P2-V4 PolarHBondContact O-N 2.91Å; V4-N7 WeakPolarHBondContact CG1-OD1 3.3Å
5T67.2Low77.7Confident47 Ų47102.3 Ų102.329%0.28851%0.509SS..  trans-75.3-29.7-171.651.50000111.8L3 P119 V120L3-T5 WeakPolarHBondContact O-CG2 3.44Å; L3-T5 PolarHBondContact O-N 3.46Å; T5-P119 WeakPolarHBondContact O-CB 2.91Å; T5-V120 HydrophobicContact CG2-CG2 3.78Å
6R82.9Confident77.7Confident60 Ų60102.9 Ų102.923%0.22651%0.51CS..  trans-134.3110.7-169-62.8178179.693.1-3.2109.6Y46 E53 P119R6-Y46 HydrophobicContact CB-CD1 3.58Å; R6-Y46 HydrophobicContact CB-CD2 4.26Å; R6-Y46 HydrophobicContact CB-CE1 3.81Å; R6-Y46 HydrophobicContact CB-CE2 4.45Å; R6-Y46 HydrophobicContact CB-CG 3.83Å; R6-Y46 HydrophobicContact CG-CD1 3.53Å; R6-Y46 HydrophobicContact CG-CE1 3.93Å; R6-Y46 HydrophobicContact CG-CG 4.13Å; R6-E53 VanDerWaalsContact NH2-CD 3.27Å; R6-E53 IonicContact NH2-OE1 3.45Å; R6-E53 PolarHBondContact NH2-OE1 3.28Å; R6-E53 IonicContact NH2-OE2 2.67Å; R6-E53 PolarHBondContact NH2-OE2 3.26Å; R6-P119 HydrophobicContact CG-CB 4.22Å; R6-P119 HydrophobicContact CG-CG 4.31Å
7N84.2Confident77.9Confident42 Ų42105.1 Ų105.123%0.22553%0.531CS..  trans-108.4109.1-176.7-80.7-22.2000110V4 E9 R11 Y46V4-N7 WeakPolarHBondContact CG1-OD1 3.3Å; N7-E9 PolarHBondContact O-N 3.45Å; N7-R11 PolarHBondContact OD1-NH2 3.21Å; N7-Y46 VanDerWaalsContact C-CE2 3.5Å; N7-Y46 PolarHBondContact N-OH 3.09Å; N7-Y46 WeakPolarHBondContact O-CE2 3.24Å; N7-Y46 PolarHBondContact O-OH 3.2Å
8I89Confident78.2Confident66 Ų66102.4 Ų102.434%0.33852%0.517SS..  trans-68.9125.3178.5-50179.1000109.9R11 Q39 L43 Y46I8-R11 WeakPolarHBondContact O-CG 3.49Å; I8-Q39 HydrophobicContact CG2-CB 4.47Å; I8-Q39 HydrophobicContact CG2-CG 3.34Å; I8-Q39 WeakPolarHBondContact CG2-O 3.29Å; I8-L43 HydrophobicContact CD1-CB 4.47Å; I8-L43 HydrophobicContact CD1-CD1 3.88Å; I8-Y46 HydrophobicContact CG1-CD2 4.35Å
9E89Confident78.4Confident127 Ų127100.9 Ų100.959%0.59352%0.516SS*.SBendtrans-121.3140.6-179.7-67.4-170.7170.500112N7 Q39 S42N7-E9 PolarHBondContact O-N 3.45Å; E9-Q39 WeakPolarHBondContact O-CA 3.49Å; E9-S42 PolarHBondContact N-OG 3.29Å; E9-S42 VanDerWaalsContact N-OG 3.12Å; E9-S42 WeakPolarHBondContact O-CB 3.39Å
10P91.1Very high78.7Confident28 Ų28102.5 Ų102.518%0.18254%0.536CS..  cis-76.8143-1.529.9-33.5000112.9L13 N35 R38 Q39P10-L13 HydrophobicContact CG-CD2 4.34Å; P10-N35 HydrophobicContact CG-CB 3.8Å; P10-R38 HydrophobicContact CG-CB 4.48Å; P10-Q39 PolarHBondContact O-NE2 3.36Å
11R87.5Confident79.2Confident160 Ų160100.1 Ų100.160%0.60453%0.526SS*.SBendtrans-74.9-30.7175.4-73-173.1174-175.4-1.9113.4N7 I8N7-R11 PolarHBondContact OD1-NH2 3.21Å; I8-R11 WeakPolarHBondContact O-CG 3.49Å
12H90.3Very high81.2Confident112 Ų112102.5 Ų102.552%0.51952%0.523SS..  trans-113.9113.7-179.5-58.6-51.1000109.8R15H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.09Å
13L88.6Confident82.8Confident42 Ų4298.2 Ų98.222%0.2250%0.496CS..SBendtrans-80.8-28.7-174.4-56.8175.5000113.1P10 T32 N35 V36 Q39P10-L13 HydrophobicContact CG-CD2 4.34Å; L13-T32 HydrophobicContact CB-CG2 4.15Å; L13-N35 HydrophobicContact CB-CB 4.41Å; L13-N35 HydrophobicContact CD2-CB 3.82Å; L13-N35 PolarHBondContact O-ND2 3.07Å; L13-V36 HydrophobicContact CD1-CG2 3.7Å; L13-V36 HydrophobicContact CD2-CG2 4.25Å; L13-Q39 HydrophobicContact CD2-CB 4.45Å
14C84.8Confident84.2Confident73 Ų7398.3 Ų98.349%0.49349%0.494SS..SBendtrans-130.64.1-167.6-38.60000114.5Q16 T32C14-Q16 PolarHBondContact O-N 3.41Å; C14-Q16 VanDerWaalsContact O-N 3.16Å; C14-T32 WeakPolarHBondContact SG-CG2 3.33Å; C14-T32 PolarHBondContact SG-OG1 3.22Å
15R83.5Confident85.4Confident209 Ų20999.9 Ų99.979%0.78950%0.498SS*.  trans-86.431.3-172.6-66.7-169.8171.1-150.4-2.7114.2H12H12-R15 HydrophobicContact CB-CB 4.01Å; H12-R15 HydrophobicContact CB-CG 4.09Å
16Q78.8Confident86.6Confident111 Ų111104.3 Ų104.352%0.51952%0.515SS..SBendtrans-104.5141.5-178.6-66.8-179.72.700110.4C14 L18C14-Q16 PolarHBondContact O-N 3.41Å; C14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-L18 PolarHBondContact O-N 3.35Å
17T81.4Confident86.9Confident141 Ų141102.8 Ų102.887%0.86551%0.513SS*.PPolyproline II helixtrans-63.4127.3171.5-52.60000109
18L82Confident87.3Confident56 Ų56102.8 Ų102.829%0.29352%0.515SS..PPolyproline II helixtrans-78140.1-178.8-62.6168000110.6Q16 E24 V28 I31Q16-L18 PolarHBondContact O-N 3.35Å; L18-E24 HydrophobicContact CD1-CB 4.22Å; L18-V28 HydrophobicContact CD1-CG2 3.27Å; L18-V28 HydrophobicContact CD2-CB 4.48Å; L18-V28 HydrophobicContact CD2-CG2 3.49Å; L18-V28 VanDerWaalsContact CD2-CG2 3.49Å; L18-V28 HydrophobicContact CG-CG2 3.91Å; L18-I31 HydrophobicContact CD2-CD1 4.04Å
19P82.7Confident87.5Confident75 Ų75102.9 Ų102.949%0.48752%0.519SS..PPolyproline II helixtrans-64154.6166.127.3-31.1000110V21P19-V21 HydrophobicContact CB-CG1 4.35Å; P19-V21 HydrophobicContact CG-CG1 4Å; P19-V21 PolarHBondContact O-N 3.1Å
20S84.9Confident87.7Confident132 Ų132102.3 Ų102.392%0.92352%0.519SS*.SBendtrans-65.6104.6175.3-173.60000109.6
21V88.3Confident87.7Confident53 Ų53103.1 Ų103.132%0.32152%0.522SS..  trans-132.2153.1-176.6-66.30000110.2P19 E24 C27P19-V21 HydrophobicContact CB-CG1 4.35Å; P19-V21 HydrophobicContact CG-CG1 4Å; P19-V21 PolarHBondContact O-N 3.1Å; V21-E24 HydrophobicContact CG2-CG 4.12Å; V21-C27 HydrophobicContact CG2-CB 3.8Å
22R85.8Confident88.1Confident268 Ų26896.8 Ų96.8100%1.01150%0.501SS*.SBendtrans-68-36.7-179.3-71-175.7176.4162.9-0.9113.2
23S89.7Confident88.3Confident43 Ų4396.2 Ų96.230%0.30150%0.501SS..  trans-116.787.7178-168.40000109.4L25 E26 C27S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.99Å; S23-E26 VanDerWaalsContact OG-CG 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-OE1 3.09Å; S23-C27 PolarHBondContact O-N 3.41Å
24E91.1Very high88.6Confident119 Ų11996.3 Ų96.356%0.55651%0.508SS*.Hα-helixtrans-63.4-37.8-179.7-66-177177.800111.7L18 V21 C27 V28L18-E24 HydrophobicContact CD1-CB 4.22Å; V21-E24 HydrophobicContact CG2-CG 4.12Å; E24-C27 WeakPolarHBondContact O-CB 3.5Å; E24-C27 PolarHBondContact O-N 3.33Å; E24-V28 VanDerWaalsContact O-CG2 3.28Å; E24-V28 WeakPolarHBondContact O-CG2 3.32Å; E24-V28 PolarHBondContact O-N 3.13Å
25L91.3Very high89.2Confident133 Ų13393.5 Ų93.570%0.69649%0.488SS*.Hα-helixtrans-64.1-47.8-179.7-176.661.8000111.8S23 C27 V28 T29S23-L25 VanDerWaalsContact C-N 3.3Å; S23-L25 PolarHBondContact O-N 2.99Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 3.43Å; L25-T29 WeakPolarHBondContact O-CB 3.5Å; L25-T29 PolarHBondContact O-N 3.04Å; L25-T29 PolarHBondContact O-OG1 3.12Å
26E91.5Very high89.8Confident141 Ų14185.8 Ų85.866%0.65946%0.464SS*.Hα-helixtrans-60.1-39.7175.9-74.8166.8-137.400111.5S23 T29 N30S23-E26 VanDerWaalsContact OG-CG 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-OE1 3.09Å; E26-T29 PolarHBondContact O-N 3.43Å; E26-N30 WeakPolarHBondContact O-CB 3.27Å; E26-N30 PolarHBondContact O-N 3.49Å
27C90.1Very high90.6Very high27 Ų2786.1 Ų86.118%0.18247%0.468CS..Hα-helixtrans-63-49176.9-174.20000111.8V21 S23 E24 L25 T29 N30 I31V21-C27 HydrophobicContact CG2-CB 3.8Å; S23-C27 PolarHBondContact O-N 3.41Å; E24-C27 WeakPolarHBondContact O-CB 3.5Å; E24-C27 PolarHBondContact O-N 3.33Å; L25-C27 VanDerWaalsContact C-N 3.27Å; L25-C27 PolarHBondContact O-N 3.08Å; C27-T29 PolarHBondContact O-N 3.48Å; C27-N30 PolarHBondContact O-N 2.94Å; C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.28Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.41Å
28V92.3Very high91.3Very high43 Ų4387.8 Ų87.826%0.26146%0.459SS..Hα-helixtrans-59.4-47.7176174.50000110.8L18 E24 L25 N30 I31 T32L18-V28 HydrophobicContact CD1-CG2 3.27Å; L18-V28 HydrophobicContact CD2-CB 4.48Å; L18-V28 HydrophobicContact CD2-CG2 3.49Å; L18-V28 VanDerWaalsContact CD2-CG2 3.49Å; L18-V28 HydrophobicContact CG-CG2 3.91Å; E24-V28 VanDerWaalsContact O-CG2 3.28Å; E24-V28 WeakPolarHBondContact O-CG2 3.32Å; E24-V28 PolarHBondContact O-N 3.13Å; L25-V28 PolarHBondContact O-N 3.43Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 2.97Å; V28-I31 PolarHBondContact O-N 2.66Å; V28-T32 VanDerWaalsContact O-CB 3.24Å; V28-T32 WeakPolarHBondContact O-CB 3.37Å; V28-T32 PolarHBondContact O-N 3.45Å; V28-T32 PolarHBondContact O-OG1 2.84Å
29T92.6Very high92Very high68 Ų6887.8 Ų87.842%0.41746%0.457SS..Hα-helixtrans-61.1-44.4-179.1-60.80000110.8L25 E26 C27 T32 L33L25-T29 WeakPolarHBondContact O-CB 3.5Å; L25-T29 PolarHBondContact O-N 3.04Å; L25-T29 PolarHBondContact O-OG1 3.12Å; E26-T29 PolarHBondContact O-N 3.43Å; C27-T29 PolarHBondContact O-N 3.48Å; T29-T32 PolarHBondContact O-N 2.85Å; T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.47Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.47Å; T29-L33 PolarHBondContact O-N 3.48Å
30N93.3Very high92.6Very high114 Ų11488.8 Ų88.861%0.6146%0.458SS*.Hα-helixtrans-66.9-44.1179.1-166.522.6000112.4E26 C27 V28 T32 L33 A34E26-N30 WeakPolarHBondContact O-CB 3.27Å; E26-N30 PolarHBondContact O-N 3.49Å; C27-N30 PolarHBondContact O-N 2.94Å; V28-N30 VanDerWaalsContact C-N 3.34Å; V28-N30 PolarHBondContact O-N 2.97Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.34Å; N30-L33 PolarHBondContact O-N 3.41Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 3.4Å
31I92.3Very high93.2Very high45 Ų4584.6 Ų84.623%0.23144%0.435CS..Hα-helixtrans-59.7-43.6174.4-70.1167.5000110.5L18 C27 V28 A34 N35L18-I31 HydrophobicContact CD2-CD1 4.04Å; C27-I31 WeakPolarHBondContact O-CB 3.45Å; C27-I31 VanDerWaalsContact O-CG1 3.28Å; C27-I31 WeakPolarHBondContact O-CG1 3.47Å; C27-I31 PolarHBondContact O-N 3.41Å; V28-I31 PolarHBondContact O-N 2.66Å; I31-A34 PolarHBondContact O-N 3.12Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.43Å; I31-N35 WeakPolarHBondContact O-CB 3.34Å; I31-N35 VanDerWaalsContact O-CG 3.25Å; I31-N35 PolarHBondContact O-N 3.13Å; I31-N35 PolarHBondContact O-ND2 3.36Å
32T94.2Very high93.5Very high28 Ų2883.1 Ų83.117%0.17243%0.427CS..Hα-helixtrans-62.7-47.9179.1-58.30000110.7L13 C14 V28 T29 N30 N35 V36L13-T32 HydrophobicContact CB-CG2 4.15Å; C14-T32 WeakPolarHBondContact SG-CG2 3.33Å; C14-T32 PolarHBondContact SG-OG1 3.22Å; V28-T32 VanDerWaalsContact O-CB 3.24Å; V28-T32 WeakPolarHBondContact O-CB 3.37Å; V28-T32 PolarHBondContact O-N 3.45Å; V28-T32 PolarHBondContact O-OG1 2.84Å; T29-T32 PolarHBondContact O-N 2.85Å; N30-T32 VanDerWaalsContact C-N 3.3Å; N30-T32 PolarHBondContact O-N 3.34Å; T32-N35 PolarHBondContact O-N 3.19Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.18Å
33L96.1Very high93.9Very high100 Ų10074.3 Ų74.352%0.52440%0.4SS..Hα-helixtrans-62.2-43.7177.2-72.1172.5000111.8T29 N30 N35 V36 I37T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.47Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 VanDerWaalsContact O-CG 3.3Å; T29-L33 WeakPolarHBondContact O-CG 3.47Å; T29-L33 PolarHBondContact O-N 3.48Å; N30-L33 PolarHBondContact O-N 3.41Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.21Å; L33-V36 PolarHBondContact O-N 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 2.8Å
34A95.1Very high94.3Very high43 Ų4375.9 Ų75.936%0.35541%0.411SS..Hα-helixtrans-59.5-42.4174.600000111.5N30 I31 I37 R38N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 3.4Å; I31-A34 PolarHBondContact O-N 3.12Å; A34-I37 PolarHBondContact O-N 3.45Å; A34-R38 WeakPolarHBondContact O-CG 3.34Å; A34-R38 PolarHBondContact O-N 2.91Å
35N95.4Very high94.4Very high14 Ų1474.2 Ų74.28%0.07540%0.402CS..Hα-helixtrans-67.8-35.8176.7-74.5-26.9000112.7P10 L13 I31 T32 L33 R38 Q39P10-N35 HydrophobicContact CG-CB 3.8Å; L13-N35 HydrophobicContact CB-CB 4.41Å; L13-N35 HydrophobicContact CD2-CB 3.82Å; L13-N35 PolarHBondContact O-ND2 3.07Å; I31-N35 WeakPolarHBondContact CG2-ND2 3.43Å; I31-N35 WeakPolarHBondContact O-CB 3.34Å; I31-N35 VanDerWaalsContact O-CG 3.25Å; I31-N35 PolarHBondContact O-N 3.13Å; I31-N35 PolarHBondContact O-ND2 3.36Å; T32-N35 PolarHBondContact O-N 3.19Å; L33-N35 VanDerWaalsContact C-N 3.3Å; L33-N35 PolarHBondContact O-N 3.21Å; N35-R38 PolarHBondContact O-N 2.97Å; N35-Q39 VanDerWaalsContact O-CB 3.32Å; N35-Q39 WeakPolarHBondContact O-CB 3.46Å; N35-Q39 PolarHBondContact O-N 3.23Å
36V96.5Very high94.4Very high47 Ų4769.3 Ų69.329%0.28537%0.374SS..Hα-helixtrans-61.7-44.5171.9169.90000110.4L13 T32 L33 R38 Q39 L40L13-V36 HydrophobicContact CD1-CG2 3.7Å; L13-V36 HydrophobicContact CD2-CG2 4.25Å; T32-V36 WeakPolarHBondContact O-CG2 3.48Å; T32-V36 PolarHBondContact O-N 3.18Å; L33-V36 PolarHBondContact O-N 3.28Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 3.14Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.22Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.04Å
37I96.5Very high94.6Very high119 Ų11964.3 Ų64.361%0.6136%0.357SS*.Hα-helixtrans-61.9-43.6176.9-66165.4000110.7L33 A34 Q39 L40 G41L33-I37 WeakPolarHBondContact O-CG1 3.36Å; L33-I37 PolarHBondContact O-N 2.8Å; A34-I37 PolarHBondContact O-N 3.45Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.48Å; I37-L40 PolarHBondContact O-N 3.12Å; I37-G41 PolarHBondContact O-N 3.48Å
38R95.9Very high94.8Very high175 Ų17569.8 Ų69.866%0.6638%0.38SS*.Hα-helixtrans-60.6-41.3174.6-68.4173.474.7118.94111.8P10 A34 N35 V36 G41 S42P10-R38 HydrophobicContact CG-CB 4.48Å; A34-R38 WeakPolarHBondContact O-CG 3.34Å; A34-R38 PolarHBondContact O-N 2.91Å; N35-R38 PolarHBondContact O-N 2.97Å; V36-R38 VanDerWaalsContact C-N 3.34Å; V36-R38 PolarHBondContact O-N 3.14Å; R38-G41 PolarHBondContact O-N 3.05Å; R38-S42 PolarHBondContact O-N 2.86Å
39Q95.8Very high94.8Very high57 Ų5769.6 Ų69.627%0.26638%0.377SS..Hα-helixtrans-63.5-42.5178.2-164-179.863.500111.7I8 E9 P10 L13 N35 V36 I37 G41 S42 L43I8-Q39 HydrophobicContact CG2-CB 4.47Å; I8-Q39 HydrophobicContact CG2-CG 3.34Å; I8-Q39 WeakPolarHBondContact CG2-O 3.29Å; E9-Q39 WeakPolarHBondContact O-CA 3.49Å; P10-Q39 PolarHBondContact O-NE2 3.36Å; L13-Q39 HydrophobicContact CD2-CB 4.45Å; N35-Q39 VanDerWaalsContact O-CB 3.32Å; N35-Q39 WeakPolarHBondContact O-CB 3.46Å; N35-Q39 PolarHBondContact O-N 3.23Å; V36-Q39 WeakPolarHBondContact O-CB 3.44Å; V36-Q39 PolarHBondContact O-N 3.22Å; I37-Q39 VanDerWaalsContact C-N 3.31Å; I37-Q39 PolarHBondContact O-N 3.48Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; Q39-S42 PolarHBondContact O-N 3.48Å; Q39-L43 WeakPolarHBondContact O-CB 3.44Å; Q39-L43 PolarHBondContact O-N 3.3Å
40L96.8Very high94.8Very high96 Ų9669.6 Ų69.650%0.50337%0.374SS..Hα-helixtrans-64.6-35.8173.1-69.8173.4000112.2V36 I37 L43 S44V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.04Å; I37-L40 PolarHBondContact O-N 3.12Å; L40-L43 HydrophobicContact CD2-CD2 4.48Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-S44 WeakPolarHBondContact O-CB 3.4Å; L40-S44 PolarHBondContact O-N 3.16Å; L40-S44 PolarHBondContact O-OG 3.25Å
41G96.7Very high94.9Very high43 Ų4371 Ų7144%0.44338%0.375SS..Hα-helixtrans-62.3-46.8171.900000112.4I37 R38 Q39 L43 S44 K45I37-G41 PolarHBondContact O-N 3.48Å; R38-G41 PolarHBondContact O-N 3.05Å; Q39-G41 VanDerWaalsContact C-N 3.32Å; G41-L43 PolarHBondContact O-N 3.42Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.37Å; G41-K45 PolarHBondContact O-N 2.87Å
42S94.4Very high95.1Very high22 Ų2270.4 Ų70.415%0.15438%0.38CS..Hα-helixtrans-60.5-44.2174.4175.50000111.9E9 R38 Q39 S44 K45 Y46E9-S42 PolarHBondContact N-OG 3.29Å; E9-S42 VanDerWaalsContact N-OG 3.12Å; E9-S42 WeakPolarHBondContact O-CB 3.39Å; R38-S42 PolarHBondContact O-N 2.86Å; Q39-S42 PolarHBondContact O-N 3.48Å; S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.93Å; S42-K45 WeakPolarHBondContact O-CB 3.44Å; S42-K45 PolarHBondContact O-N 2.8Å; S42-Y46 WeakPolarHBondContact O-CD2 3.35Å; S42-Y46 PolarHBondContact O-N 3.38Å; S42-Y46 VanDerWaalsContact O-N 3.14Å; S42-Y46 VanDerWaalsContact OG-CE2 3.31Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.39Å
43L95.2Very high95.1Very high84 Ų8472.9 Ų72.944%0.4439%0.39SS..Hα-helixtrans-59.9-40.9174.4177.362000112.2I8 Q39 L40 G41 Y46 A47I8-L43 HydrophobicContact CD1-CB 4.47Å; I8-L43 HydrophobicContact CD1-CD1 3.88Å; Q39-L43 WeakPolarHBondContact O-CB 3.44Å; Q39-L43 PolarHBondContact O-N 3.3Å; L40-L43 HydrophobicContact CD2-CD2 4.48Å; L40-L43 PolarHBondContact O-N 3.47Å; G41-L43 PolarHBondContact O-N 3.42Å; L43-Y46 PolarHBondContact O-N 2.8Å; L43-A47 PolarHBondContact O-N 3.5Å
44S96.6Very high95.1Very high76 Ų7672.7 Ų72.753%0.53139%0.389SS..Hα-helixtrans-64.6-42.2178.6-57.90000111.8L40 G41 S42 Y46 A47 E48L40-S44 WeakPolarHBondContact O-CB 3.4Å; L40-S44 PolarHBondContact O-N 3.16Å; L40-S44 PolarHBondContact O-OG 3.25Å; G41-S44 WeakPolarHBondContact O-CB 3.4Å; G41-S44 PolarHBondContact O-N 3.37Å; S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.93Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.23Å; S44-A47 PolarHBondContact O-N 3.07Å; S44-E48 PolarHBondContact O-N 3.49Å
45K93.3Very high95.3Very high83 Ų8377.2 Ų77.236%0.36140%0.401SS..Hα-helixtrans-54.7-48.7171.7-176.2-166.5174.3-170.20110.7G41 S42 A47 E48 D49 E122G41-K45 PolarHBondContact O-N 2.87Å; S42-K45 WeakPolarHBondContact O-CB 3.44Å; S42-K45 PolarHBondContact O-N 2.8Å; K45-A47 VanDerWaalsContact C-N 3.35Å; K45-A47 PolarHBondContact O-N 2.95Å; K45-E48 WeakPolarHBondContact O-CB 3.33Å; K45-E48 PolarHBondContact O-N 2.98Å; K45-D49 PolarHBondContact O-N 3.37Å; K45-E122 VanDerWaalsContact NZ-CD 3.25Å; K45-E122 IonicContact NZ-OE1 2.97Å; K45-E122 PolarHBondContact NZ-OE1 3.14Å; K45-E122 IonicContact NZ-OE2 3.02Å; K45-E122 PolarHBondContact NZ-OE2 3.34Å
46Y91.9Very high95.3Very high31 Ų3180.8 Ų80.812%0.12242%0.423CS..Hα-helixtrans-68.6-32-178.8-69.8-49.6000114R6 N7 I8 S42 L43 S44 I50R6-Y46 HydrophobicContact CB-CD1 3.58Å; R6-Y46 HydrophobicContact CB-CD2 4.26Å; R6-Y46 HydrophobicContact CB-CE1 3.81Å; R6-Y46 HydrophobicContact CB-CE2 4.45Å; R6-Y46 HydrophobicContact CB-CG 3.83Å; R6-Y46 HydrophobicContact CG-CD1 3.53Å; R6-Y46 HydrophobicContact CG-CE1 3.93Å; R6-Y46 HydrophobicContact CG-CG 4.13Å; N7-Y46 VanDerWaalsContact C-CE2 3.5Å; N7-Y46 PolarHBondContact N-OH 3.09Å; N7-Y46 WeakPolarHBondContact O-CE2 3.24Å; N7-Y46 PolarHBondContact O-OH 3.2Å; I8-Y46 HydrophobicContact CG1-CD2 4.35Å; S42-Y46 WeakPolarHBondContact O-CD2 3.35Å; S42-Y46 PolarHBondContact O-N 3.38Å; S42-Y46 VanDerWaalsContact O-N 3.14Å; S42-Y46 VanDerWaalsContact OG-CE2 3.31Å; S42-Y46 WeakPolarHBondContact OG-CE2 3.39Å; L43-Y46 PolarHBondContact O-N 2.8Å; S44-Y46 VanDerWaalsContact C-N 3.31Å; S44-Y46 PolarHBondContact O-N 3.23Å; Y46-I50 WeakPolarHBondContact O-CD1 3.38Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.48Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-I50 VanDerWaalsContact O-N 3.12Å
47A94.8Very high95.4Very high35 Ų3585 Ų8529%0.28944%0.439SS..Hα-helixtrans-64.8-44.8172.200000110.7L43 S44 K45 D49 I50 F51L43-A47 PolarHBondContact O-N 3.5Å; S44-A47 PolarHBondContact O-N 3.07Å; K45-A47 VanDerWaalsContact C-N 3.35Å; K45-A47 PolarHBondContact O-N 2.95Å; A47-D49 PolarHBondContact O-N 3.44Å; A47-I50 PolarHBondContact O-N 3.31Å; A47-F51 HydrophobicContact CB-CD2 4.46Å; A47-F51 HydrophobicContact CB-CE2 4.4Å; A47-F51 WeakPolarHBondContact O-CD2 3.45Å; A47-F51 PolarHBondContact O-N 2.89Å
48E94.6Very high95.5Very high143 Ų14382 Ų8267%0.66843%0.432SS*.Hα-helixtrans-56.8-47.6173.9-176-175.4171.600111.4S44 K45 I50 F51 G52S44-E48 PolarHBondContact O-N 3.49Å; K45-E48 WeakPolarHBondContact O-CB 3.33Å; K45-E48 PolarHBondContact O-N 2.98Å; E48-I50 VanDerWaalsContact C-N 3.35Å; E48-I50 PolarHBondContact O-N 3.3Å; E48-F51 PolarHBondContact O-N 3.45Å; E48-G52 PolarHBondContact O-N 2.84Å
49D92Very high95.6Very high38 Ų3877.8 Ų77.820%0.20342%0.423CS..Hα-helixtrans-57.9-46178.3-67.7-20.8000111.9K45 A47 G52 E53K45-D49 PolarHBondContact O-N 3.37Å; A47-D49 PolarHBondContact O-N 3.44Å; D49-G52 PolarHBondContact O-N 3.31Å; D49-E53 WeakPolarHBondContact O-CG 3.14Å; D49-E53 PolarHBondContact O-N 3.44Å
50I93.4Very high95.7Very high69 Ų6978.9 Ų78.935%0.35443%0.434SS..Hα-helixtrans-63.7-49.3179.8-68.4165.8000110.6Y46 A47 E48 G52 E53 L54Y46-I50 WeakPolarHBondContact O-CD1 3.38Å; Y46-I50 VanDerWaalsContact O-CG1 3.26Å; Y46-I50 WeakPolarHBondContact O-CG1 3.48Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-I50 VanDerWaalsContact O-N 3.12Å; A47-I50 PolarHBondContact O-N 3.31Å; E48-I50 VanDerWaalsContact C-N 3.35Å; E48-I50 PolarHBondContact O-N 3.3Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.02Å; I50-E53 PolarHBondContact O-N 3.46Å; I50-L54 HydrophobicContact CG2-CD1 4.07Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.94Å; I50-L54 VanDerWaalsContact O-N 3.07Å
51F96.6Very high95.8Very high143 Ų14380.6 Ų80.663%0.62744%0.438SS*.Hα-helixtrans-68.3-32.6-179.6-70.5-57.7000112A47 E48 L54 F55A47-F51 HydrophobicContact CB-CD2 4.46Å; A47-F51 HydrophobicContact CB-CE2 4.4Å; A47-F51 WeakPolarHBondContact O-CD2 3.45Å; A47-F51 PolarHBondContact O-N 2.89Å; E48-F51 PolarHBondContact O-N 3.45Å; F51-L54 HydrophobicContact CD1-CD1 4.47Å; F51-F55 WeakPolarHBondContact O-CB 3.44Å; F51-F55 PolarHBondContact O-N 2.83Å
52G95.8Very high95.9Very high33 Ų3380.7 Ų80.734%0.3443%0.434SS..Hα-helixtrans-65.4-43.6174.600000112.8E48 D49 I50 F55 T56E48-G52 PolarHBondContact O-N 2.84Å; D49-G52 PolarHBondContact O-N 3.31Å; I50-G52 VanDerWaalsContact C-N 3.31Å; I50-G52 PolarHBondContact O-N 3.02Å; G52-F55 PolarHBondContact O-N 2.99Å; G52-T56 WeakPolarHBondContact O-CB 3.45Å; G52-T56 PolarHBondContact O-N 2.83Å; G52-T56 PolarHBondContact O-OG1 3.08Å
53E94Very high96.1Very high79 Ų7983 Ų8337%0.36945%0.45SS..Hα-helixtrans-60.9-49.3174-76.5172.3-16600111R6 D49 I50 F55 T56 Q57R6-E53 VanDerWaalsContact NH2-CD 3.27Å; R6-E53 IonicContact NH2-OE1 3.45Å; R6-E53 PolarHBondContact NH2-OE1 3.28Å; R6-E53 IonicContact NH2-OE2 2.67Å; R6-E53 PolarHBondContact NH2-OE2 3.26Å; D49-E53 WeakPolarHBondContact O-CG 3.14Å; D49-E53 PolarHBondContact O-N 3.44Å; I50-E53 PolarHBondContact O-N 3.46Å; E53-F55 PolarHBondContact O-N 3.21Å; E53-T56 PolarHBondContact O-N 3.29Å; E53-Q57 WeakPolarHBondContact O-CG 3.37Å; E53-Q57 PolarHBondContact O-N 3.5Å; E53-Q57 VanDerWaalsContact O-N 3.1Å
54L96.8Very high96.2Very high96 Ų9687.4 Ų87.450%0.50346%0.461SS..Hα-helixtrans-62.3-42.9178.2-69.8174.3000112I50 F51 Q57 A58I50-L54 HydrophobicContact CG2-CD1 4.07Å; I50-L54 WeakPolarHBondContact O-CG 3.44Å; I50-L54 PolarHBondContact O-N 2.94Å; I50-L54 VanDerWaalsContact O-N 3.07Å; F51-L54 HydrophobicContact CD1-CD1 4.47Å; L54-Q57 PolarHBondContact O-N 3.43Å; L54-A58 VanDerWaalsContact O-CB 3.31Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 2.83Å
55F98Very high96.3Very high139 Ų13987 Ų8761%0.6146%0.455SS*.Hα-helixtrans-61.7-44.7178176.7-97.4000111.5F51 G52 E53 Q57 A58 N59F51-F55 WeakPolarHBondContact O-CB 3.44Å; F51-F55 PolarHBondContact O-N 2.83Å; G52-F55 PolarHBondContact O-N 2.99Å; E53-F55 PolarHBondContact O-N 3.21Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.39Å; F55-A58 PolarHBondContact O-N 3.19Å; F55-N59 WeakPolarHBondContact O-CB 3.5Å; F55-N59 PolarHBondContact O-N 2.82Å
56T96.8Very high96.6Very high88 Ų8886.4 Ų86.454%0.5446%0.461SS..Hα-helixtrans-62.1-42.9178.8-58.60000111.5G52 E53 N59 T60G52-T56 WeakPolarHBondContact O-CB 3.45Å; G52-T56 PolarHBondContact O-N 2.83Å; G52-T56 PolarHBondContact O-OG1 3.08Å; E53-T56 PolarHBondContact O-N 3.29Å; T56-N59 PolarHBondContact O-N 3.26Å; T56-T60 PolarHBondContact O-N 3.17Å; T56-T60 PolarHBondContact O-OG1 3.41Å
57Q97Very high96.9Very high135 Ų13588.3 Ų88.363%0.63148%0.479SS*.Hα-helixtrans-64.8-45.5175.8-70.7-178.30.200111.8E53 L54 F55 N59 T60 F61E53-Q57 WeakPolarHBondContact O-CG 3.37Å; E53-Q57 PolarHBondContact O-N 3.5Å; E53-Q57 VanDerWaalsContact O-N 3.1Å; L54-Q57 PolarHBondContact O-N 3.43Å; F55-Q57 VanDerWaalsContact C-N 3.35Å; F55-Q57 PolarHBondContact O-N 3.39Å; Q57-N59 VanDerWaalsContact C-N 3.33Å; Q57-N59 PolarHBondContact O-N 3.28Å; Q57-T60 PolarHBondContact O-N 3.19Å; Q57-F61 PolarHBondContact O-N 3.43Å
58A98.4Very high97.1Very high56 Ų5691.6 Ų91.646%0.46349%0.491SS..Hα-helixtrans-61.7-40.2177.400000111.9L54 F55 F61 A62L54-A58 VanDerWaalsContact O-CB 3.31Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 2.83Å; F55-A58 PolarHBondContact O-N 3.19Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 3.29Å; A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.85Å
59N98.4Very high97.3Very high88 Ų8887 Ų8747%0.47148%0.477SS..Hα-helixtrans-68.8-38.1178.5-167.140.8000112.3F55 T56 Q57 F61 A62 S63F55-N59 WeakPolarHBondContact O-CB 3.5Å; F55-N59 PolarHBondContact O-N 2.82Å; T56-N59 PolarHBondContact O-N 3.26Å; Q57-N59 VanDerWaalsContact C-N 3.33Å; Q57-N59 PolarHBondContact O-N 3.28Å; N59-F61 VanDerWaalsContact C-N 3.33Å; N59-A62 PolarHBondContact O-N 3.49Å; N59-S63 PolarHBondContact O-N 3.45Å; N59-S63 PolarHBondContact O-OG 3.47Å
60T98.4Very high97.6Very high80 Ų8090.2 Ų90.249%0.49149%0.492SS..Hα-helixtrans-62.1-43172.1-57.60000110.9T56 Q57 R64T56-T60 PolarHBondContact O-N 3.17Å; T56-T60 PolarHBondContact O-OG1 3.41Å; Q57-T60 PolarHBondContact O-N 3.19Å; T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 2.88Å
61F98.4Very high97.8Very high132 Ų13295.2 Ų95.258%0.57951%0.506SS*.Hα-helixtrans-63.8-46.9174.8176.6-107.6000112.1Q57 A58 N59 S63 R64 V65Q57-F61 PolarHBondContact O-N 3.43Å; A58-F61 WeakPolarHBondContact O-CB 3.28Å; A58-F61 PolarHBondContact O-N 3.29Å; N59-F61 VanDerWaalsContact C-N 3.33Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 2.83Å; F61-R64 WeakPolarHBondContact O-CB 3.34Å; F61-R64 PolarHBondContact O-N 3.37Å; F61-R64 VanDerWaalsContact O-N 3.09Å; F61-V65 HydrophobicContact CD1-CG2 4.11Å; F61-V65 HydrophobicContact CD2-CG2 4.17Å; F61-V65 HydrophobicContact CE1-CG2 3.67Å; F61-V65 HydrophobicContact CE2-CG2 3.72Å; F61-V65 HydrophobicContact CG-CG2 4.36Å; F61-V65 HydrophobicContact CZ-CG2 3.45Å; F61-V65 VanDerWaalsContact CZ-CG2 3.45Å; F61-V65 WeakPolarHBondContact O-CG2 3.32Å; F61-V65 PolarHBondContact O-N 3.1Å
62A98.5Very high97.9Very high44 Ų4492 Ų9236%0.36450%0.498SS..Hα-helixtrans-56.4-46.6178.100000111.4A58 N59 R64 V65 S66A58-A62 WeakPolarHBondContact O-CB 3.33Å; A58-A62 PolarHBondContact O-N 2.85Å; N59-A62 PolarHBondContact O-N 3.49Å; A62-R64 VanDerWaalsContact C-N 3.31Å; A62-R64 PolarHBondContact O-N 2.97Å; A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.14Å; A62-S66 PolarHBondContact O-N 3.29Å; A62-S66 PolarHBondContact O-OG 2.9Å
63S98.6Very high98Very high71 Ų7195.5 Ų95.550%0.49751%0.509SS..Hα-helixtrans-58.6-41.6176.6-59.60000112.4N59 F61 S67N59-S63 PolarHBondContact O-N 3.45Å; N59-S63 PolarHBondContact O-OG 3.47Å; F61-S63 VanDerWaalsContact C-N 3.32Å; F61-S63 PolarHBondContact O-N 2.83Å; S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.33Å; S63-S67 VanDerWaalsContact O-N 3.07Å
64R98.5Very high98.2Very high177 Ų17798 Ų9867%0.66852%0.515SS*.Hα-helixtrans-66.5-40.7176.2-70.6171.162.3-166.6-1.1112.1T60 F61 A62 L68T60-R64 WeakPolarHBondContact O-CG 3.32Å; T60-R64 PolarHBondContact O-N 2.88Å; F61-R64 WeakPolarHBondContact O-CB 3.34Å; F61-R64 PolarHBondContact O-N 3.37Å; F61-R64 VanDerWaalsContact O-N 3.09Å; A62-R64 VanDerWaalsContact C-N 3.31Å; A62-R64 PolarHBondContact O-N 2.97Å; R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.07Å; R64-L68 PolarHBondContact O-N 3.12Å
65V98.7Very high98.3Very high66 Ų6698.3 Ų98.340%0.452%0.516SS..Hα-helixtrans-65.2-44.6177.5170.90000110.7F61 A62 S67 L68 A69F61-V65 HydrophobicContact CD1-CG2 4.11Å; F61-V65 HydrophobicContact CD2-CG2 4.17Å; F61-V65 HydrophobicContact CE1-CG2 3.67Å; F61-V65 HydrophobicContact CE2-CG2 3.72Å; F61-V65 HydrophobicContact CG-CG2 4.36Å; F61-V65 HydrophobicContact CZ-CG2 3.45Å; F61-V65 VanDerWaalsContact CZ-CG2 3.45Å; F61-V65 WeakPolarHBondContact O-CG2 3.32Å; F61-V65 PolarHBondContact O-N 3.1Å; A62-V65 PolarHBondContact O-N 3.35Å; A62-V65 VanDerWaalsContact O-N 3.14Å; V65-S67 PolarHBondContact O-N 2.77Å; V65-L68 PolarHBondContact O-N 3.4Å; V65-A69 WeakPolarHBondContact O-CB 3.39Å; V65-A69 PolarHBondContact O-N 3.47Å
66S98.5Very high98.3Very high71 Ų7197.2 Ų97.250%0.49751%0.513SS..Hα-helixtrans-59.8-48.1176.3-61.60000111.5A62 L68 A69 E70A62-S66 PolarHBondContact O-N 3.29Å; A62-S66 PolarHBondContact O-OG 2.9Å; S66-L68 VanDerWaalsContact C-N 3.3Å; S66-L68 PolarHBondContact O-N 3.38Å; S66-A69 PolarHBondContact O-N 3.47Å; S66-E70 PolarHBondContact O-N 3.31Å; S66-E70 VanDerWaalsContact O-N 3.12Å
67S98.6Very high98.3Very high72 Ų7296.6 Ų96.650%0.50351%0.509SS..Hα-helixtrans-61.1-39176.8-1750000112.6S63 V65 R71S63-S67 WeakPolarHBondContact O-CB 3.37Å; S63-S67 PolarHBondContact O-N 3.33Å; S63-S67 VanDerWaalsContact O-N 3.07Å; V65-S67 PolarHBondContact O-N 2.77Å; S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 3.3Å
68L98.6Very high98.3Very high103 Ų10397 Ų9754%0.53951%0.509SS..Hα-helixtrans-68-43.2176.6-178.860.8000111.8R64 V65 S66 R71 V72R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.07Å; R64-L68 PolarHBondContact O-N 3.12Å; V65-L68 PolarHBondContact O-N 3.4Å; S66-L68 VanDerWaalsContact C-N 3.3Å; S66-L68 PolarHBondContact O-N 3.38Å; L68-R71 WeakPolarHBondContact O-CB 3.34Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-R71 VanDerWaalsContact O-N 3.14Å; L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.31Å
69A98.5Very high98.2Very high46 Ų4698 Ų9838%0.3851%0.509SS..Hα-helixtrans-58.3-51.5179.600000110.9V65 S66 R71 V72 D73V65-A69 WeakPolarHBondContact O-CB 3.39Å; V65-A69 PolarHBondContact O-N 3.47Å; S66-A69 PolarHBondContact O-N 3.47Å; A69-R71 PolarHBondContact O-N 3.09Å; A69-V72 WeakPolarHBondContact O-CB 3.4Å; A69-V72 PolarHBondContact O-N 3.06Å; A69-D73 PolarHBondContact O-N 3.13Å
70E98.5Very high98Very high107 Ų10798.4 Ų98.450%0.552%0.515SS..Hα-helixtrans-60.1-35.9176.8-64.6-179.5-17100112.7S66 D73 R74S66-E70 PolarHBondContact O-N 3.31Å; S66-E70 VanDerWaalsContact O-N 3.12Å; E70-D73 PolarHBondContact O-N 3.33Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.12Å; E70-R74 IonicContact OE2-NH1 3.07Å; E70-R74 PolarHBondContact OE2-NH1 3.46Å; E70-R74 VanDerWaalsContact OE2-NH1 3.07Å
71R98.5Very high97.8Very high174 Ų174101.6 Ų101.666%0.65752%0.524SS*.Hα-helixtrans-68.3-38.3177.6-175.8178.4169.7-169.9-3.8111.3S67 L68 A69 L75S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 PolarHBondContact O-N 3.3Å; L68-R71 WeakPolarHBondContact O-CB 3.34Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-R71 VanDerWaalsContact O-N 3.14Å; A69-R71 PolarHBondContact O-N 3.09Å; R71-L75 VanDerWaalsContact O-CB 3.28Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 3.25Å
72V98.6Very high97.5Very high76 Ų76100.2 Ų100.246%0.46152%0.522SS..Hα-helixtrans-64.6-44.9174.4169.60000110.2L68 A69 R74 L75 Q76L68-V72 HydrophobicContact CD1-CG2 4.27Å; L68-V72 HydrophobicContact CG-CG2 4.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 3.31Å; A69-V72 WeakPolarHBondContact O-CB 3.4Å; A69-V72 PolarHBondContact O-N 3.06Å; V72-R74 PolarHBondContact O-N 3.27Å; V72-L75 CarbonylContact O-C 3.59Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.18Å; V72-L75 VanDerWaalsContact O-N 3.12Å; V72-Q76 WeakPolarHBondContact O-CB 3.36Å; V72-Q76 PolarHBondContact O-N 3.37Å
73D98.4Very high97.2Very high106 Ų106101.7 Ų101.757%0.56752%0.524SS*.Hα-helixtrans-60.8-46.8178.5-66.9-24.2000111.8A69 E70 L75 Q76 V77A69-D73 PolarHBondContact O-N 3.13Å; E70-D73 PolarHBondContact O-N 3.33Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.32Å; D73-Q76 WeakPolarHBondContact O-CB 3.23Å; D73-Q76 PolarHBondContact O-N 3.14Å; D73-V77 WeakPolarHBondContact O-CG2 3.39Å; D73-V77 PolarHBondContact O-N 3.49Å; D73-V77 VanDerWaalsContact O-N 3.13Å
74R98.1Very high96.5Very high131 Ų131103.7 Ų103.749%0.49454%0.535SS..Hα-helixtrans-63.1-36.5175.3-70.4-173.8-62.1-98.9-0.6112.2E70 V72 K78E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.12Å; E70-R74 IonicContact OE2-NH1 3.07Å; E70-R74 PolarHBondContact OE2-NH1 3.46Å; E70-R74 VanDerWaalsContact OE2-NH1 3.07Å; V72-R74 PolarHBondContact O-N 3.27Å; R74-K78 WeakPolarHBondContact O-CG 3.37Å; R74-K78 PolarHBondContact O-N 3.4Å
75L98.1Very high95.9Very high102 Ų102104.8 Ų104.853%0.53455%0.545SS..Hα-helixtrans-68.9-41.2177.2-177.962000111.1R71 V72 D73 V77 K78 V79R71-L75 VanDerWaalsContact O-CB 3.28Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 3.25Å; V72-L75 CarbonylContact O-C 3.59Å; V72-L75 WeakPolarHBondContact O-CB 3.19Å; V72-L75 PolarHBondContact O-N 3.18Å; V72-L75 VanDerWaalsContact O-N 3.12Å; D73-L75 VanDerWaalsContact C-N 3.29Å; D73-L75 PolarHBondContact O-N 3.32Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-V77 PolarHBondContact O-N 2.94Å; L75-K78 PolarHBondContact O-N 2.77Å; L75-K78 VanDerWaalsContact O-N 3.12Å; L75-V79 HydrophobicContact CD1-CG2 4.06Å; L75-V79 HydrophobicContact CG-CG2 4.19Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.48Å
76Q98.1Very high95.1Very high116 Ų116109.1 Ų109.154%0.54256%0.561SS.*Hα-helixtrans-58.1-45.7177.4-176.66419.700111.4V72 D73 K78 V79 T80V72-Q76 WeakPolarHBondContact O-CB 3.36Å; V72-Q76 PolarHBondContact O-N 3.37Å; D73-Q76 WeakPolarHBondContact O-CB 3.23Å; D73-Q76 PolarHBondContact O-N 3.14Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 3.33Å; Q76-V79 PolarHBondContact O-N 3.44Å; Q76-T80 WeakPolarHBondContact O-CG2 3.33Å; Q76-T80 PolarHBondContact O-N 2.94Å; Q76-T80 PolarHBondContact O-OG1 3.31Å
77V97.5Very high94.3Very high76 Ų76111.8 Ų111.846%0.46157%0.566SS.*Hα-helixtrans-61.1-43.4175.1175.10000111.2D73 L75 T80 Q81D73-V77 WeakPolarHBondContact O-CG2 3.39Å; D73-V77 PolarHBondContact O-N 3.49Å; D73-V77 VanDerWaalsContact O-N 3.13Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-V77 PolarHBondContact O-N 2.94Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-N 3.48Å; V77-T80 PolarHBondContact O-OG1 3.39Å; V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.31Å
78K96.1Very high93.5Very high143 Ų143117 Ų11762%0.62258%0.582SS**Hα-helixtrans-65.5-43.5178.9-73.6-179.6178.9-171.10112.6R74 L75 Q76 T80 Q81 L82R74-K78 WeakPolarHBondContact O-CG 3.37Å; R74-K78 PolarHBondContact O-N 3.4Å; L75-K78 PolarHBondContact O-N 2.77Å; L75-K78 VanDerWaalsContact O-N 3.12Å; Q76-K78 VanDerWaalsContact C-N 3.35Å; Q76-K78 PolarHBondContact O-N 3.33Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.34Å; K78-Q81 PolarHBondContact O-N 2.96Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.42Å
79V96.6Very high92.5Very high78 Ų78118.5 Ų118.547%0.47360%0.595SS.*Hα-helixtrans-65.3-38.2-179.71710000111.2L75 Q76 Q81 L82L75-V79 HydrophobicContact CD1-CG2 4.06Å; L75-V79 HydrophobicContact CG-CG2 4.19Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.48Å; Q76-V79 PolarHBondContact O-N 3.44Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.07Å; V79-L82 PolarHBondContact O-N 2.98Å
80T94.9Very high91.5Very high95 Ų95120.1 Ų120.158%0.58360%0.603SS**Hα-helixtrans-72-21.4177.848.50000113.8Q76 V77 K78Q76-T80 WeakPolarHBondContact O-CG2 3.33Å; Q76-T80 PolarHBondContact O-N 2.94Å; Q76-T80 PolarHBondContact O-OG1 3.31Å; V77-T80 WeakPolarHBondContact CA-OG1 3.4Å; V77-T80 PolarHBondContact O-N 3.48Å; V77-T80 PolarHBondContact O-OG1 3.39Å; K78-T80 VanDerWaalsContact C-N 3.33Å; K78-T80 PolarHBondContact O-N 3.34Å
81Q93.6Very high90.5Very high148 Ų148121.4 Ų121.469%0.69261%0.613SS**THydrogen-bonded Turntrans-87.6-5.2175.2-71.1176.616.700113.7V77 K78 V79 D83V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.44Å; V77-Q81 PolarHBondContact O-N 3.31Å; K78-Q81 PolarHBondContact O-N 2.96Å; V79-Q81 VanDerWaalsContact C-N 3.29Å; V79-Q81 PolarHBondContact O-N 3.07Å; Q81-D83 PolarHBondContact O-N 3.46Å
82L92.6Very high89.5Confident103 Ų103120.1 Ų120.154%0.53961%0.614SS.*  trans-69.5123.2177.8-67.6173.3000110.1K78 V79 P84K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 2.98Å; L82-P84 WeakPolarHBondContact O-CD 3.48Å
83D91Very high88.3Confident75 Ų75117.2 Ų117.240%0.40160%0.6SS.*  trans-100.6110.7169.6-172.9-8.8000110Q81 K85 E86 E87Q81-D83 PolarHBondContact O-N 3.46Å; D83-K85 PolarHBondContact O-N 3.43Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 WeakPolarHBondContact OD1-CB 3.26Å; D83-K85 PolarHBondContact OD1-N 3.07Å; D83-E86 HydrophobicContact CB-CB 4.12Å; D83-E86 PolarHBondContact O-N 2.75Å; D83-E86 VanDerWaalsContact O-N 3.11Å; D83-E87 PolarHBondContact O-N 2.72Å; D83-E87 VanDerWaalsContact O-N 3.1Å
84P84.4Confident87.3Confident113 Ų113118.4 Ų118.473%0.73461%0.605SS**THydrogen-bonded Turntrans-60.3-18.5178-21.932.5000114.5L82L82-P84 WeakPolarHBondContact O-CD 3.48Å
85K85.3Confident86.5Confident199 Ų199119.7 Ų119.787%0.86562%0.622SS**THydrogen-bonded Turntrans-85.4-22.7178.7-64.7-178.4179.5176.60113D83D83-K85 PolarHBondContact O-N 3.43Å; D83-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 WeakPolarHBondContact OD1-CB 3.26Å; D83-K85 PolarHBondContact OD1-N 3.07Å
86E83.3Confident85.8Confident157 Ų157119.7 Ų119.773%0.73463%0.626SS**THydrogen-bonded Turntrans-96.7-21.9178.7-166.6177.3179.100111.9D83 E88D83-E86 HydrophobicContact CB-CB 4.12Å; D83-E86 PolarHBondContact O-N 2.75Å; D83-E86 VanDerWaalsContact O-N 3.11Å; E86-E88 PolarHBondContact O-N 2.94Å
87E80.8Confident85.3Confident128 Ų128123.4 Ų123.460%0.59864%0.635SS**  trans-73.293.5-178.3-168.6173177.500112.8D83D83-E87 PolarHBondContact O-N 2.72Å; D83-E87 VanDerWaalsContact O-N 3.1Å
88E82.2Confident84.9Confident182 Ų182129.6 Ų129.685%0.8566%0.656SS**  trans-78.1125.8173.4-66.2-172.617400112.4E86 S90E86-E88 PolarHBondContact O-N 2.94Å; E88-S90 PolarHBondContact O-N 3.01Å; E88-S90 VanDerWaalsContact O-N 3.08Å
89V77.8Confident84.7Confident134 Ų134126 Ų12681%0.81265%0.652SS**  trans-76.798176.9-1770000110.3L91V89-L91 PolarHBondContact O-N 2.77Å
90S77.9Confident84.6Confident79 Ų79130.9 Ų130.955%0.55267%0.667SS**  trans-78115.1177.5-175.20000112.7E88 Q92 G93E88-S90 PolarHBondContact O-N 3.01Å; E88-S90 VanDerWaalsContact O-N 3.08Å; S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CB 3.48Å; S90-Q92 PolarHBondContact OG-N 2.9Å; S90-G93 PolarHBondContact O-N 3.35Å
91L77.1Confident84.6Confident134 Ų134135.6 Ų135.670%0.70268%0.675SS**THydrogen-bonded Turntrans-67.9-19171.8-62.5177000112.9V89 G93 I94V89-L91 PolarHBondContact O-N 2.77Å; L91-G93 PolarHBondContact O-N 2.67Å; L91-I94 HydrophobicContact CD2-CD1 3.71Å; L91-I94 PolarHBondContact O-N 2.84Å
92Q76.9Confident84.6Confident147 Ų147132.4 Ų132.469%0.68767%0.669SS**Hα-helixtrans-58.2-33.4177-155.390.72.100111.3S90 I94 T96S90-Q92 PolarHBondContact O-N 2.99Å; S90-Q92 WeakPolarHBondContact OG-CB 3.48Å; S90-Q92 PolarHBondContact OG-N 2.9Å; Q92-I94 VanDerWaalsContact C-N 3.27Å; Q92-I94 PolarHBondContact O-N 3.1Å; Q92-T96 HydrophobicContact CG-CG2 4.5Å; Q92-T96 WeakPolarHBondContact O-CB 3.49Å; Q92-T96 WeakPolarHBondContact O-CG2 3.41Å; Q92-T96 PolarHBondContact O-N 2.95Å; Q92-T96 PolarHBondContact O-OG1 3.39Å
93G73.3Confident84.7Confident15 Ų15132.1 Ų132.116%0.15568%0.675CS.*Hα-helixtrans-66.8-24.3-178.400000114.1S90 L91 N95 R97S90-G93 PolarHBondContact O-N 3.35Å; L91-G93 PolarHBondContact O-N 2.67Å; G93-N95 PolarHBondContact O-N 3.12Å; G93-R97 VanDerWaalsContact O-CB 3.27Å; G93-R97 WeakPolarHBondContact O-CB 3.22Å; G93-R97 PolarHBondContact O-N 3.28Å
94I77.6Confident84.9Confident131 Ų131133.9 Ų133.967%0.67269%0.689SS**Hα-helixtrans-67-37.9-174.3-60.9173.9000111.6L91 Q92L91-I94 HydrophobicContact CD2-CD1 3.71Å; L91-I94 PolarHBondContact O-N 2.84Å; Q92-I94 VanDerWaalsContact C-N 3.27Å; Q92-I94 PolarHBondContact O-N 3.1Å
95N82.4Confident85.3Confident159 Ų159135.3 Ų135.385%0.8569%0.689SS**Hα-helixtrans-101.1-18.7-178.4-148-6.6000112.9G93G93-N95 PolarHBondContact O-N 3.12Å
96T83.2Confident85.6Confident101 Ų101130.4 Ų130.462%0.6267%0.669SS**Hα-helixtrans-98.6-24.6-177.359.90000114.1Q92Q92-T96 HydrophobicContact CG-CG2 4.5Å; Q92-T96 WeakPolarHBondContact O-CB 3.49Å; Q92-T96 WeakPolarHBondContact O-CG2 3.41Å; Q92-T96 PolarHBondContact O-N 2.95Å; Q92-T96 PolarHBondContact O-OG1 3.39Å
97R86.1Confident86Confident195 Ų195129.7 Ų129.774%0.73667%0.67SS**SBendtrans-103.3137179.8-58.6-178.6-175.3177.32.2110.3G93 A99G93-R97 VanDerWaalsContact O-CB 3.27Å; G93-R97 WeakPolarHBondContact O-CB 3.22Å; G93-R97 PolarHBondContact O-N 3.28Å; R97-A99 PolarHBondContact O-N 3.4Å
98K90.9Very high86.5Confident206 Ų206128.7 Ų128.790%0.89667%0.666SS**PPolyproline II helixtrans-65.1135.5168.7-66.2-178.1-179178.70108.9
99A90.6Very high86.8Confident66 Ų66125.6 Ų125.655%0.54565%0.649SS.*PPolyproline II helixtrans-60.9149.5173.900000111R97R97-A99 PolarHBondContact O-N 3.4Å
100F94Very high87.4Confident181 Ų181124.8 Ų124.879%0.79464%0.64SS**PPolyproline II helixtrans-55.8143.4173.7174.2-101.9000111.2
101R95.3Very high88Confident194 Ų194130.3 Ų130.373%0.73265%0.654SS**  trans-133.3128.4174.7-65.6-66.4-179.7-105.86.5108.6
102S94.9Very high88.7Confident81 Ų81127.5 Ų127.557%0.56664%0.64SS**  trans-73.6162.2169.453.40000110.6T104S102-T104 PolarHBondContact O-N 3.09Å
103S94.4Very high89.4Confident97 Ų97127.8 Ų127.868%0.67864%0.635SS**  trans-61.5136.3170.7-175.40000110.3
104T93.8Very high90.3Very high112 Ų112133.8 Ų133.869%0.68766%0.663SS**  trans-124.523175.961.20000111.6S102S102-T104 PolarHBondContact O-N 3.09Å
105I93.6Very high90.9Very high143 Ų143130.3 Ų130.373%0.73365%0.651SS**  trans-63.6135.4177.3-60.8169.8000108.7
106Q91.9Very high91.3Very high97 Ų97125.3 Ų125.345%0.45362%0.624SS.*  trans-130.9126.9177.2-68.9179.3-7.800109Q108 N467Q106-Q108 PolarHBondContact O-N 3.08Å; Q106-N467 PolarHBondContact NE2-ND2 3.03Å; Q106-N467 PolarHBondContact OE1-ND2 3.18Å
107D91.4Very high91.6Very high142 Ų142123.4 Ų123.476%0.75961%0.613SS**  trans-72.6128.6177.3-61.6-26.5000109.5L110D107-L110 HydrophobicContact CB-CD2 4.37Å
108Q90.7Very high91.7Very high107 Ų107118.2 Ų118.250%0.560%0.603SS.*  trans-136.1168.5-179.7-60.9-176.229.400108.6Q106 L110Q106-Q108 PolarHBondContact O-N 3.08Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 3.17Å
109K88.9Confident91.6Very high117 Ų117108.5 Ų108.551%0.50956%0.561SS.*  trans55.444177.8-58.5-68.8-172.9177.10113F111 D112K109-F111 PolarHBondContact O-N 2.98Å; K109-D112 WeakPolarHBondContact CB-OD2 3.37Å; K109-D112 PolarHBondContact O-N 3.23Å
110L90.4Very high91.5Very high116 Ų116106.2 Ų106.261%0.60754%0.54SS*.THydrogen-bonded Turntrans-59.7-19.3-175.6-66.3160.9000114.6D107 Q108 S115D107-L110 HydrophobicContact CB-CD2 4.37Å; Q108-L110 VanDerWaalsContact C-N 3.29Å; Q108-L110 PolarHBondContact O-N 3.17Å; L110-S115 WeakPolarHBondContact O-CB 3.37Å; L110-S115 PolarHBondContact O-OG 3.47Å
111F90.9Very high91.4Very high196 Ų196100.8 Ų100.886%0.8652%0.519SS*.THydrogen-bonded Turntrans-113.630-175.1-58.4-75.3000112.9K109K109-F111 PolarHBondContact O-N 2.98Å
112D91.9Very high91.1Very high74 Ų7495.2 Ų95.240%0.39650%0.501SS..SBendtrans-69.8162.5172.4-77.9-7.2000111.5K109 N114 S115K109-D112 WeakPolarHBondContact CB-OD2 3.37Å; K109-D112 PolarHBondContact O-N 3.23Å; D112-N114 WeakPolarHBondContact CB-OD1 3.46Å; D112-N114 PolarHBondContact O-N 3.03Å; D112-N114 VanDerWaalsContact O-N 3.12Å; D112-S115 PolarHBondContact N-OG 3.43Å; D112-S115 PolarHBondContact O-N 2.97Å; D112-S115 VanDerWaalsContact O-N 3.1Å; D112-S115 PolarHBondContact O-OG 3.02Å
113R91.6Very high90.8Very high154 Ų15494.3 Ų94.358%0.58149%0.492SS*.G310 helixtrans-60.3-28.2-176.8-172.363.569.699.22.3113L116 Y124R113-L116 VanDerWaalsContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CB 3.44Å; R113-Y124 PolarHBondContact NH1-OH 2.7Å; R113-Y124 VanDerWaalsContact NH1-OH 3.09Å; R113-Y124 PolarHBondContact NH2-OH 3.14Å
114N91.1Very high90.7Very high141 Ų14194.6 Ų94.675%0.75448%0.479SS*.G310 helixtrans-77.7-21.1-18061.8-4.6000113.8D112 L116D112-N114 WeakPolarHBondContact CB-OD1 3.46Å; D112-N114 PolarHBondContact O-N 3.03Å; D112-N114 VanDerWaalsContact O-N 3.12Å; N114-L116 VanDerWaalsContact C-N 3.28Å
115S91.3Very high90.7Very high58 Ų5894.6 Ų94.641%0.40648%0.475SS..G310 helixtrans-891.3175.568.20000112.3L110 D112 P117L110-S115 WeakPolarHBondContact O-CB 3.37Å; L110-S115 PolarHBondContact O-OG 3.47Å; D112-S115 PolarHBondContact N-OG 3.43Å; D112-S115 PolarHBondContact O-N 2.97Å; D112-S115 VanDerWaalsContact O-N 3.1Å; D112-S115 PolarHBondContact O-OG 3.02Å; S115-P117 WeakPolarHBondContact O-CD 3.48Å
116L90.1Very high90.6Very high54 Ų5493.3 Ų93.328%0.28347%0.474SS..  trans-66123.1179.8-164.269.6000110.2R113 N114 V120 L121R113-L116 VanDerWaalsContact O-CB 3.3Å; R113-L116 WeakPolarHBondContact O-CB 3.44Å; N114-L116 VanDerWaalsContact C-N 3.28Å; L116-V120 HydrophobicContact CD1-CB 4.12Å; L116-V120 HydrophobicContact CD1-CG1 3.64Å; L116-V120 HydrophobicContact CD2-CG1 4.32Å; L116-V120 HydrophobicContact CG-CB 4.14Å; L116-V120 HydrophobicContact CG-CG1 4.06Å; L116-L121 HydrophobicContact CD2-CB 4.03Å; L116-L121 HydrophobicContact CD2-CD1 4.12Å
117P89.5Confident90.7Very high60 Ų6092.1 Ų92.139%0.3948%0.475SS..  trans-60.7142.2177.5-23.633.9000111.5S115 P119 V120 L121S115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-P119 VanDerWaalsContact C-CD 3.45Å; P117-P119 VanDerWaalsContact C-N 3.31Å; P117-V120 HydrophobicContact CB-CG2 4.27Å; P117-V120 HydrophobicContact CG-CG2 4.38Å; P117-V120 WeakPolarHBondContact O-CA 3.48Å; P117-V120 WeakPolarHBondContact O-CB 3.5Å; P117-V120 PolarHBondContact O-N 3.14Å; P117-L121 PolarHBondContact O-N 2.8Å
118V89.1Confident90.9Very high87 Ų8793.2 Ų93.253%0.52748%0.481SS..Hα-helixtrans-49.7-45.3-179.2176.60000112.6V120 L121 E122V118-V120 VanDerWaalsContact C-N 3.29Å; V118-V120 PolarHBondContact O-N 3.12Å; V118-L121 WeakPolarHBondContact O-CB 3.32Å; V118-L121 PolarHBondContact O-N 3.45Å; V118-L121 VanDerWaalsContact O-N 3.1Å; V118-E122 HydrophobicContact CG1-CG 4.44Å; V118-E122 PolarHBondContact O-N 3.04Å
119P88.2Confident91.1Very high2 Ų294 Ų941%0.01349%0.493CS..Hα-helixtrans-64-32.7179.8-24.236.1000114T5 R6 P117 T123T5-P119 WeakPolarHBondContact O-CB 2.91Å; R6-P119 HydrophobicContact CG-CB 4.22Å; R6-P119 HydrophobicContact CG-CG 4.31Å; P117-P119 VanDerWaalsContact C-CD 3.45Å; P117-P119 VanDerWaalsContact C-N 3.31Å; P119-T123 PolarHBondContact O-N 2.99Å; P119-T123 PolarHBondContact O-OG1 3.28Å
120V89.4Confident91.4Very high18 Ų1890.9 Ų90.911%0.10949%0.485CS..Hα-helixtrans-73.6-37.1175.2-176.80000110.4L3 T5 L116 P117 V118 T123 Y124L3-V120 HydrophobicContact CD1-CG1 4.26Å; T5-V120 HydrophobicContact CG2-CG2 3.78Å; L116-V120 HydrophobicContact CD1-CB 4.12Å; L116-V120 HydrophobicContact CD1-CG1 3.64Å; L116-V120 HydrophobicContact CD2-CG1 4.32Å; L116-V120 HydrophobicContact CG-CB 4.14Å; L116-V120 HydrophobicContact CG-CG1 4.06Å; P117-V120 HydrophobicContact CB-CG2 4.27Å; P117-V120 HydrophobicContact CG-CG2 4.38Å; P117-V120 WeakPolarHBondContact O-CA 3.48Å; P117-V120 WeakPolarHBondContact O-CB 3.5Å; P117-V120 PolarHBondContact O-N 3.14Å; V118-V120 VanDerWaalsContact C-N 3.29Å; V118-V120 PolarHBondContact O-N 3.12Å; V120-T123 PolarHBondContact O-N 3.26Å; V120-Y124 WeakPolarHBondContact O-CB 3.47Å; V120-Y124 PolarHBondContact O-N 3.12Å
121L90.8Very high91.7Very high67 Ų6788.2 Ų88.235%0.35148%0.475SS..Hα-helixtrans-63.7-43.3174.7179.862.9000111.8L116 P117 V118 T123 Y124 N125L116-L121 HydrophobicContact CD2-CB 4.03Å; L116-L121 HydrophobicContact CD2-CD1 4.12Å; P117-L121 PolarHBondContact O-N 2.8Å; V118-L121 WeakPolarHBondContact O-CB 3.32Å; V118-L121 PolarHBondContact O-N 3.45Å; V118-L121 VanDerWaalsContact O-N 3.1Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.93Å; L121-Y124 HydrophobicContact CD1-CD1 4.47Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.32Å; L121-N125 PolarHBondContact O-N 2.97Å; L121-N125 PolarHBondContact O-ND2 2.79Å
122E89.5Confident91.9Very high76 Ų7683.4 Ų83.436%0.35546%0.463SS..Hα-helixtrans-56.3-48.4173.5-72.1-173.816500110.7K45 V118 Y124 N125 T126K45-E122 VanDerWaalsContact NZ-CD 3.25Å; K45-E122 IonicContact NZ-OE1 2.97Å; K45-E122 PolarHBondContact NZ-OE1 3.14Å; K45-E122 IonicContact NZ-OE2 3.02Å; K45-E122 PolarHBondContact NZ-OE2 3.34Å; V118-E122 HydrophobicContact CG1-CG 4.44Å; V118-E122 PolarHBondContact O-N 3.04Å; E122-Y124 PolarHBondContact O-N 2.78Å; E122-N125 PolarHBondContact O-N 2.84Å; E122-T126 PolarHBondContact O-N 2.95Å
123T89.3Confident92.1Very high62 Ų6282.4 Ų82.438%0.3846%0.458SS..Hα-helixtrans-62.3-44.7177.7-54.20000111.4P119 V120 L121 N125 T126 C127P119-T123 PolarHBondContact O-N 2.99Å; P119-T123 PolarHBondContact O-OG1 3.28Å; V120-T123 PolarHBondContact O-N 3.26Å; L121-T123 VanDerWaalsContact C-N 3.32Å; L121-T123 PolarHBondContact O-N 2.93Å; T123-N125 VanDerWaalsContact C-N 3.25Å; T123-N125 PolarHBondContact O-N 2.81Å; T123-T126 PolarHBondContact O-N 3.43Å; T123-T126 PolarHBondContact O-OG1 3.42Å; T123-C127 PolarHBondContact O-SG 2.92Å
124Y91.5Very high92.3Very high103 Ų10378.7 Ų78.740%0.40445%0.449SS..Hα-helixtrans-57.4-38.8177.8175.8-96000112.2R113 V120 L121 E122 T126 C127R113-Y124 PolarHBondContact NH1-OH 2.7Å; R113-Y124 VanDerWaalsContact NH1-OH 3.09Å; R113-Y124 PolarHBondContact NH2-OH 3.14Å; V120-Y124 WeakPolarHBondContact O-CB 3.47Å; V120-Y124 PolarHBondContact O-N 3.12Å; L121-Y124 HydrophobicContact CD1-CD1 4.47Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.32Å; E122-Y124 PolarHBondContact O-N 2.78Å; Y124-T126 PolarHBondContact O-N 2.82Å; Y124-C127 WeakPolarHBondContact O-CB 3.5Å; Y124-C127 PolarHBondContact O-N 3.25Å; Y124-C127 VanDerWaalsContact O-N 3.14Å
125N92.9Very high92.5Very high112 Ų11277.5 Ų77.560%0.59944%0.443SS*.Hα-helixtrans-71-16.9179.3-67-25.4000113.7L121 E122 T123L121-N125 PolarHBondContact O-N 2.97Å; L121-N125 PolarHBondContact O-ND2 2.79Å; E122-N125 PolarHBondContact O-N 2.84Å; T123-N125 VanDerWaalsContact C-N 3.25Å; T123-N125 PolarHBondContact O-N 2.81Å
126T91.7Very high92.7Very high117 Ų11779.4 Ų79.472%0.71845%0.448SS*.Hα-helixtrans-85.4-12.2172.567.30000113.3E122 T123 Y124E122-T126 PolarHBondContact O-N 2.95Å; T123-T126 PolarHBondContact O-N 3.43Å; T123-T126 PolarHBondContact O-OG1 3.42Å; Y124-T126 PolarHBondContact O-N 2.82Å
127C93.6Very high92.9Very high71 Ų7178.5 Ų78.548%0.4845%0.445SS..SBendtrans-76.7156.3178.6-61.10000111.7T123 Y124 T129T123-C127 PolarHBondContact O-SG 2.92Å; Y124-C127 WeakPolarHBondContact O-CB 3.5Å; Y124-C127 PolarHBondContact O-N 3.25Å; Y124-C127 VanDerWaalsContact O-N 3.14Å; C127-T129 PolarHBondContact O-N 3.4Å
128D96.4Very high93.3Very high166 Ų16680.9 Ų80.989%0.88846%0.46SS*.PPolyproline II helixtrans-62126.3175.8-65.5-35.1000111.1
129T95.4Very high93.6Very high123 Ų12385.9 Ų85.976%0.75547%0.471SS*.PPolyproline II helixtrans-77148.8174.557.20000110.6C127C127-T129 PolarHBondContact O-N 3.4Å
130P95.7Very high94Very high52 Ų5289.8 Ų89.834%0.33849%0.485SS..PPolyproline II helixtrans-61.1155.6175.528.2-36000111.1L147 Y150P130-L147 HydrophobicContact CB-CD1 3.97Å; P130-L147 HydrophobicContact CG-CD1 4.21Å; P130-Y150 HydrophobicContact CB-CD1 4.04Å; P130-Y150 HydrophobicContact CB-CE1 3.78Å
131P95.9Very high94.3Very high60 Ų6097.3 Ų97.339%0.3953%0.525SS..PPolyproline II helixtrans-53.8144.7173.9-23.633.2000111L133P131-L133 HydrophobicContact CB-CD2 4.37Å; P131-L133 HydrophobicContact CB-CG 4.19Å; P131-L133 PolarHBondContact O-N 3.09Å
132P95.2Very high94.5Very high94 Ų9497.2 Ų97.261%0.6153%0.525SS*.  trans-76.457-174.932.6-37.1000112.1N134 N135P132-N134 PolarHBondContact O-N 3.23Å; P132-N135 WeakPolarHBondContact O-CB 3.48Å; P132-N135 PolarHBondContact O-N 2.88Å
133L96.3Very high94.7Very high54 Ų5497 Ų9728%0.28354%0.543SS..G310 helixtrans-66-20.6-177.7-62.7179.6000112.5P131 N135 L136 A146 L147 Y150P131-L133 HydrophobicContact CB-CD2 4.37Å; P131-L133 HydrophobicContact CB-CG 4.19Å; P131-L133 PolarHBondContact O-N 3.09Å; L133-N135 PolarHBondContact O-N 3.27Å; L133-N135 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CD2-CD1 4.39Å; L133-L136 WeakPolarHBondContact O-CA 3.38Å; L133-L136 WeakPolarHBondContact O-CB 3.3Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-A146 HydrophobicContact CB-CB 4.33Å; L133-A146 WeakPolarHBondContact O-CB 3.47Å; L133-L147 HydrophobicContact CB-CD1 4.46Å; L133-Y150 HydrophobicContact CD1-CD2 4.38Å; L133-Y150 HydrophobicContact CD1-CG 4.11Å
134N94.7Very high94.9Very high76 Ų7699.9 Ų99.941%0.40655%0.55SS.*G310 helixtrans-58-23.3175.3-79.4-20000113.4P132 L136 T137 L147P132-N134 PolarHBondContact O-N 3.23Å; N134-L136 PolarHBondContact O-N 3.1Å; N134-T137 VanDerWaalsContact O-CB 3.3Å; N134-T137 WeakPolarHBondContact O-CB 3.49Å; N134-T137 PolarHBondContact O-N 2.87Å; N134-T137 VanDerWaalsContact O-N 3.14Å; N134-T137 PolarHBondContact O-OG1 2.82Å; N134-L147 WeakPolarHBondContact OD1-CB 3.5Å
135N96Very high95.1Very high116 Ų11699.9 Ų99.962%0.6255%0.554SS**G310 helixtrans-64.7-21.7173.4-62.6-3.5000112.4P132 L133P132-N135 WeakPolarHBondContact O-CB 3.48Å; P132-N135 PolarHBondContact O-N 2.88Å; L133-N135 PolarHBondContact O-N 3.27Å; L133-N135 VanDerWaalsContact O-N 3.09Å
136L95.5Very high95.2Very high97 Ų9795 Ų9551%0.50853%0.529SS..G310 helixtrans-91-11.2177.9-66.389000112.8L133 N134 P138 Y139 A146L133-L136 HydrophobicContact CD2-CD1 4.39Å; L133-L136 WeakPolarHBondContact O-CA 3.38Å; L133-L136 WeakPolarHBondContact O-CB 3.3Å; L133-L136 PolarHBondContact O-N 3.45Å; N134-L136 PolarHBondContact O-N 3.1Å; L136-P138 VanDerWaalsContact C-CD 3.45Å; L136-Y139 PolarHBondContact O-N 3.29Å; L136-A146 HydrophobicContact CB-CB 4.37Å
137T95.1Very high95.5Very high36 Ų3691 Ų9122%0.22150%0.503CS..G310 helixtrans-53.5-43179.4-610000113.2N134 Y139 R140 A146N134-T137 VanDerWaalsContact O-CB 3.3Å; N134-T137 WeakPolarHBondContact O-CB 3.49Å; N134-T137 PolarHBondContact O-N 2.87Å; N134-T137 VanDerWaalsContact O-N 3.14Å; N134-T137 PolarHBondContact O-OG1 2.82Å; T137-Y139 PolarHBondContact O-N 3.34Å; T137-Y139 VanDerWaalsContact O-N 3.12Å; T137-R140 PolarHBondContact O-N 3.01Å; T137-A146 PolarHBondContact OG1-N 2.96Å
138P96.8Very high95.6Very high109 Ų10992 Ų9271%0.70850%0.499SS*.G310 helixtrans-63.3-17.9179-24.135.9000115.1L136L136-P138 VanDerWaalsContact C-CD 3.45Å
139Y95.5Very high95.6Very high192 Ų19290 Ų9075%0.75348%0.483SS*.G310 helixtrans-97.57.9-178.2-54.5-82.2000112.8L136 T137L136-Y139 PolarHBondContact O-N 3.29Å; T137-Y139 PolarHBondContact O-N 3.34Å; T137-Y139 VanDerWaalsContact O-N 3.12Å
140R96Very high95.6Very high84 Ų8491.1 Ų91.132%0.31747%0.474SS..  trans-93.8135179.5-64.4-173.659.481.59.1111.4T137 D142 K144T137-R140 PolarHBondContact O-N 3.01Å; R140-D142 IonicContact CZ-OD1 3.67Å; R140-D142 IonicContact CZ-OD2 2.82Å; R140-D142 IonicContact NE-OD1 3.88Å; R140-D142 PolarHBondContact NE-OD1 3.07Å; R140-D142 IonicContact NE-OD2 2.81Å; R140-D142 VanDerWaalsContact NH2-CG 3.25Å; R140-D142 IonicContact NH2-OD1 2.7Å; R140-D142 PolarHBondContact NH2-OD1 3.22Å; R140-D142 IonicContact NH2-OD2 2.61Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; R140-K144 VanDerWaalsContact CD-O 3.25Å; R140-K144 WeakPolarHBondContact CD-O 3.07Å; R140-K144 PolarHBondContact NE-O 2.97Å
141D96.7Very high95.7Very high176 Ų17691.7 Ų91.794%0.94148%0.477SS*.THydrogen-bonded Turntrans-76.6-23179.2-56-39.9000113.4G143D141-G143 VanDerWaalsContact C-N 3.35Å
142D94.9Very high95.7Very high66 Ų6691 Ų9135%0.35347%0.47SS..THydrogen-bonded Turntrans-86.5-2.7-175.766.8-5.9000114.4R140 K144 F149R140-D142 IonicContact CZ-OD1 3.67Å; R140-D142 IonicContact CZ-OD2 2.82Å; R140-D142 IonicContact NE-OD1 3.88Å; R140-D142 PolarHBondContact NE-OD1 3.07Å; R140-D142 IonicContact NE-OD2 2.81Å; R140-D142 VanDerWaalsContact NH2-CG 3.25Å; R140-D142 IonicContact NH2-OD1 2.7Å; R140-D142 PolarHBondContact NH2-OD1 3.22Å; R140-D142 IonicContact NH2-OD2 2.61Å; R140-D142 PolarHBondContact NH2-OD2 3.45Å; D142-K144 HydrophobicContact CB-CG 4.33Å; D142-K144 PolarHBondContact O-N 3.42Å; D142-K144 VanDerWaalsContact O-N 3.15Å; D142-K144 PolarHBondContact OD1-N 3.08Å; D142-K144 VanDerWaalsContact OD1-N 3.15Å; D142-K144 WeakPolarHBondContact OD2-CD 3.19Å; D142-F149 WeakPolarHBondContact OD2-CZ 3.42Å
143G93.1Very high95.7Very high71 Ų7191.6 Ų91.673%0.73247%0.474SS*.  trans64.712.1-178.300000114.6D141D141-G143 VanDerWaalsContact C-N 3.35Å
144K94.3Very high95.6Very high122 Ų12291 Ų9153%0.5347%0.474SS..  trans-90.4150.1-179.2-63-177.4-173.2172.10110.8R140 D142 A146 F149R140-K144 VanDerWaalsContact CD-O 3.25Å; R140-K144 WeakPolarHBondContact CD-O 3.07Å; R140-K144 PolarHBondContact NE-O 2.97Å; D142-K144 HydrophobicContact CB-CG 4.33Å; D142-K144 PolarHBondContact O-N 3.42Å; D142-K144 VanDerWaalsContact O-N 3.15Å; D142-K144 PolarHBondContact OD1-N 3.08Å; D142-K144 VanDerWaalsContact OD1-N 3.15Å; D142-K144 WeakPolarHBondContact OD2-CD 3.19Å; K144-A146 PolarHBondContact O-N 3.34Å; K144-F149 HydrophobicContact CB-CE2 3.87Å; K144-F149 HydrophobicContact CB-CZ 4.24Å; K144-F149 HydrophobicContact CD-CE2 4.44Å; K144-F149 HydrophobicContact CD-CZ 4.02Å
145E95.1Very high95.7Very high104 Ų10493.3 Ų93.349%0.48648%0.478SS..  trans-64123.3173.4-72.1175.3-176.600110.8L147 K148 F149E145-L147 PolarHBondContact O-N 3.03Å; E145-K148 HydrophobicContact CB-CB 4.47Å; E145-K148 HydrophobicContact CB-CD 4.23Å; E145-K148 HydrophobicContact CB-CG 3.95Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 WeakPolarHBondContact OE2-CE 3.48Å; E145-F149 WeakPolarHBondContact O-CD2 3.47Å
146A96.1Very high95.7Very high9 Ų995.4 Ų95.47%0.07448%0.482CS..G310 helixtrans-60-35.8-179.100000112.3L133 L136 T137 K144 K148 F149L133-A146 HydrophobicContact CB-CB 4.33Å; L133-A146 WeakPolarHBondContact O-CB 3.47Å; L136-A146 HydrophobicContact CB-CB 4.37Å; T137-A146 PolarHBondContact OG1-N 2.96Å; K144-A146 PolarHBondContact O-N 3.34Å; A146-K148 VanDerWaalsContact C-N 3.27Å; A146-K148 PolarHBondContact O-N 2.99Å; A146-F149 WeakPolarHBondContact O-CB 3.23Å; A146-F149 PolarHBondContact O-N 2.72Å
147L96.6Very high95.7Very high33 Ų3394.7 Ų94.717%0.17348%0.475CS..G310 helixtrans-65-29179.6-175.763.6000112.8P130 L133 N134 E145 F149 Y150 T151P130-L147 HydrophobicContact CB-CD1 3.97Å; P130-L147 HydrophobicContact CG-CD1 4.21Å; L133-L147 HydrophobicContact CB-CD1 4.46Å; N134-L147 WeakPolarHBondContact OD1-CB 3.5Å; E145-L147 PolarHBondContact O-N 3.03Å; L147-F149 PolarHBondContact O-N 3.06Å; L147-Y150 HydrophobicContact CD1-CD1 4.25Å; L147-Y150 WeakPolarHBondContact O-CA 3.49Å; L147-Y150 WeakPolarHBondContact O-CB 3.37Å; L147-Y150 PolarHBondContact O-N 3.49Å; L147-T151 HydrophobicContact CD1-CG2 4.04Å; L147-T151 HydrophobicContact CG-CG2 4.05Å; L147-T151 PolarHBondContact O-N 3.43Å
148K96.5Very high95.8Very high92 Ų9296.4 Ų96.440%0.448%0.483SS..G310 helixtrans-63.5-22.3177.6-70.5-169.5177.2-157.80113.5E145 A146 Y150 T151 D152E145-K148 HydrophobicContact CB-CB 4.47Å; E145-K148 HydrophobicContact CB-CD 4.23Å; E145-K148 HydrophobicContact CB-CG 3.95Å; E145-K148 WeakPolarHBondContact O-CB 3.31Å; E145-K148 PolarHBondContact O-N 2.96Å; E145-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 WeakPolarHBondContact OE2-CE 3.48Å; A146-K148 VanDerWaalsContact C-N 3.27Å; A146-K148 PolarHBondContact O-N 2.99Å; K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 3.49Å; K148-T151 WeakPolarHBondContact CA-O 3.43Å; K148-D152 HydrophobicContact CB-CB 4.29Å; K148-D152 HydrophobicContact CG-CB 4.5Å
149F95.3Very high95.7Very high124 Ų12495.2 Ų95.254%0.54447%0.47SS..G310 helixtrans-74.9-17.6172.6-66.8-93.3000113.1D142 K144 E145 A146 L147D142-F149 WeakPolarHBondContact OD2-CZ 3.42Å; K144-F149 HydrophobicContact CB-CE2 3.87Å; K144-F149 HydrophobicContact CB-CZ 4.24Å; K144-F149 HydrophobicContact CD-CE2 4.44Å; K144-F149 HydrophobicContact CD-CZ 4.02Å; E145-F149 WeakPolarHBondContact O-CD2 3.47Å; A146-F149 WeakPolarHBondContact O-CB 3.23Å; A146-F149 PolarHBondContact O-N 2.72Å; L147-F149 PolarHBondContact O-N 3.06Å
150Y96.8Very high95.7Very high146 Ų14690.2 Ų90.257%0.57345%0.45SS*.THydrogen-bonded Turntrans-98.7-46.2174.7179.1-93.1000111.6P130 L133 L147 K148P130-Y150 HydrophobicContact CB-CD1 4.04Å; P130-Y150 HydrophobicContact CB-CE1 3.78Å; L133-Y150 HydrophobicContact CD1-CD2 4.38Å; L133-Y150 HydrophobicContact CD1-CG 4.11Å; L147-Y150 HydrophobicContact CD1-CD1 4.25Å; L147-Y150 WeakPolarHBondContact O-CA 3.49Å; L147-Y150 WeakPolarHBondContact O-CB 3.37Å; L147-Y150 PolarHBondContact O-N 3.49Å; K148-Y150 VanDerWaalsContact C-N 3.26Å; K148-Y150 PolarHBondContact O-N 3.49Å
151T96.5Very high95.6Very high65 Ų6590.8 Ų90.840%0.39946%0.455SS..  trans-147.6124.5178.3-173.40000110.5L147 K148L147-T151 HydrophobicContact CD1-CG2 4.04Å; L147-T151 HydrophobicContact CG-CG2 4.05Å; L147-T151 PolarHBondContact O-N 3.43Å; K148-T151 WeakPolarHBondContact CA-O 3.43Å
152D96.3Very high95.6Very high44 Ų4488.8 Ų88.824%0.23544%0.44CS..  trans-129.5100176.9-175.53.6000110.7K148 S154 Y155K148-D152 HydrophobicContact CB-CB 4.29Å; K148-D152 HydrophobicContact CG-CB 4.5Å; D152-S154 PolarHBondContact O-N 2.96Å; D152-S154 PolarHBondContact OD1-N 3.47Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.19Å
153P94.7Very high95.6Very high108 Ų10890.8 Ų90.870%0.70145%0.445SS*.THydrogen-bonded Turntrans-65.1-23.3176.5-23.134.7000114.3
154S95.4Very high95.5Very high40 Ų4089.1 Ų89.128%0.2842%0.419SS..THydrogen-bonded Turntrans-82.3-17-179.573.80000113D152 F156 F157 D158D152-S154 PolarHBondContact O-N 2.96Å; D152-S154 PolarHBondContact OD1-N 3.47Å; D152-S154 PolarHBondContact OD1-OG 2.92Å; S154-F156 VanDerWaalsContact C-N 3.3Å; S154-F156 PolarHBondContact O-N 3.3Å; S154-F156 VanDerWaalsContact O-N 3.14Å; S154-F157 PolarHBondContact O-N 3.02Å; S154-D158 WeakPolarHBondContact CB-OD2 3.31Å; S154-D158 PolarHBondContact O-N 3.38Å; S154-D158 PolarHBondContact OG-OD2 3.24Å
155Y96.8Very high95.4Very high125 Ų12585.8 Ų85.849%0.4941%0.407SS..Hα-helixtrans-45.7-48.5-177.4179.8-99000114D152 F157 D158 L159D152-Y155 VanDerWaalsContact O-CB 3.3Å; D152-Y155 WeakPolarHBondContact O-CB 3.44Å; D152-Y155 PolarHBondContact O-N 3.19Å; Y155-F157 PolarHBondContact O-N 3.37Å; Y155-D158 PolarHBondContact O-N 3.02Å; Y155-L159 HydrophobicContact CE1-CD2 4.03Å; Y155-L159 VanDerWaalsContact O-CB 3.27Å; Y155-L159 WeakPolarHBondContact O-CB 3.07Å; Y155-L159 PolarHBondContact O-N 3.17Å
156F96.4Very high95.4Very high160 Ų16085 Ų8570%0.70240%0.403SS*.Hα-helixtrans-62.8-42.4-178.4-64.2-72.3000112.6S154 W160S154-F156 VanDerWaalsContact C-N 3.3Å; S154-F156 PolarHBondContact O-N 3.3Å; S154-F156 VanDerWaalsContact O-N 3.14Å; F156-W160 WeakPolarHBondContact O-CB 3.11Å; F156-W160 PolarHBondContact O-N 3.32Å
157F95.4Very high95.1Very high82 Ų8286.3 Ų86.336%0.3641%0.409SS..Hα-helixtrans-71.5-41179.3178.6-100.6000111.1S154 Y155 W160 K161S154-F157 PolarHBondContact O-N 3.02Å; Y155-F157 PolarHBondContact O-N 3.37Å; F157-W160 AromaticContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CZ3 4.25Å; F157-W160 AromaticContact CE2-CE3 3.85Å; F157-W160 HydrophobicContact CE2-CE3 3.85Å; F157-W160 AromaticContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 4.33Å; F157-W160 PolarHBondContact O-N 3.44Å; F157-K161 HydrophobicContact CE1-CD 4.35Å; F157-K161 WeakPolarHBondContact O-CB 3.46Å; F157-K161 PolarHBondContact O-N 2.97Å
158D95.8Very high94.9Very high73 Ų7385.4 Ų85.439%0.3941%0.405SS..Hα-helixtrans-64.1-46.3180-66.6-30.3000111.1S154 Y155 K161 E162S154-D158 WeakPolarHBondContact CB-OD2 3.31Å; S154-D158 PolarHBondContact O-N 3.38Å; S154-D158 PolarHBondContact OG-OD2 3.24Å; Y155-D158 PolarHBondContact O-N 3.02Å; D158-K161 PolarHBondContact O-N 3.21Å; D158-E162 WeakPolarHBondContact O-CB 3.35Å; D158-E162 PolarHBondContact O-N 2.95Å
159L96.1Very high94.6Very high84 Ų8484.1 Ų84.144%0.4440%0.399SS..Hα-helixtrans-63.7-42.7176-174.265.7000112Y155 E162 K163Y155-L159 HydrophobicContact CE1-CD2 4.03Å; Y155-L159 VanDerWaalsContact O-CB 3.27Å; Y155-L159 WeakPolarHBondContact O-CB 3.07Å; Y155-L159 PolarHBondContact O-N 3.17Å; L159-E162 PolarHBondContact O-N 2.91Å; L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.45Å
160W95.8Very high94.4Very high86 Ų8681.5 Ų81.533%0.32639%0.391SS..Hα-helixtrans-62.8-45.1175.9169.783.7000111.7F156 F157 E162 K163 M164 V469 A470 L473F156-W160 WeakPolarHBondContact O-CB 3.11Å; F156-W160 PolarHBondContact O-N 3.32Å; F157-W160 AromaticContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CE3 3.95Å; F157-W160 HydrophobicContact CD2-CZ3 4.25Å; F157-W160 AromaticContact CE2-CE3 3.85Å; F157-W160 HydrophobicContact CE2-CE3 3.85Å; F157-W160 AromaticContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CE2-CZ3 3.68Å; F157-W160 HydrophobicContact CZ-CZ3 4.33Å; F157-W160 PolarHBondContact O-N 3.44Å; W160-E162 PolarHBondContact O-N 3.5Å; W160-K163 WeakPolarHBondContact O-CB 3.21Å; W160-K163 PolarHBondContact O-N 2.9Å; W160-M164 HydrophobicContact CD2-CG 4.06Å; W160-M164 HydrophobicContact CG-CG 4.48Å; W160-M164 HydrophobicContact CH2-CG 4.24Å; W160-M164 HydrophobicContact CZ2-CG 3.66Å; W160-M164 HydrophobicContact CZ2-SD 4.42Å; W160-M164 WeakPolarHBondContact O-CG 3.34Å; W160-M164 PolarHBondContact O-N 3.32Å; W160-V469 HydrophobicContact CH2-CB 3.65Å; W160-V469 HydrophobicContact CH2-CG1 3.54Å; W160-V469 HydrophobicContact CZ3-CB 4.24Å; W160-V469 HydrophobicContact CZ3-CG1 3.7Å; W160-A470 HydrophobicContact CZ2-CB 4.13Å; W160-L473 HydrophobicContact CH2-CD1 4.26Å; W160-L473 HydrophobicContact CZ3-CD1 4.34Å
161K93.7Very high94Very high96 Ų9678.5 Ų78.542%0.41738%0.384SS..Hα-helixtrans-60.6-46178.3175.7-172.6173.1-172.60110.9F157 D158 M164 L165F157-K161 HydrophobicContact CE1-CD 4.35Å; F157-K161 WeakPolarHBondContact O-CB 3.46Å; F157-K161 PolarHBondContact O-N 2.97Å; D158-K161 PolarHBondContact O-N 3.21Å; K161-M164 PolarHBondContact O-N 3.42Å; K161-L165 PolarHBondContact O-N 3.2Å
162E95.8Very high93.4Very high135 Ų13577.1 Ų77.163%0.63137%0.373SS*.Hα-helixtrans-57.9-49175.8-178.2176.9-169.500110.9D158 L159 W160 M164 L165 Q166D158-E162 WeakPolarHBondContact O-CB 3.35Å; D158-E162 PolarHBondContact O-N 2.95Å; L159-E162 PolarHBondContact O-N 2.91Å; W160-E162 PolarHBondContact O-N 3.5Å; E162-M164 PolarHBondContact O-N 2.92Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 3.11Å; E162-Q166 PolarHBondContact O-N 3.07Å
163K94.6Very high93.1Very high107 Ų10781.1 Ų81.147%0.46539%0.388SS..Hα-helixtrans-57.6-46.9176.9-169.8-162.7-177.6-47.30112.1L159 W160 L165 Q166 D167L159-K163 WeakPolarHBondContact O-CB 3.35Å; L159-K163 PolarHBondContact O-N 3.45Å; W160-K163 WeakPolarHBondContact O-CB 3.21Å; W160-K163 PolarHBondContact O-N 2.9Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3Å; K163-Q166 PolarHBondContact O-N 3.28Å; K163-D167 IonicContact NZ-OD1 3.82Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 IonicContact NZ-OD2 3.19Å; K163-D167 PolarHBondContact NZ-OD2 2.95Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.82Å
164M91.4Very high92.8Very high36 Ų3681 Ų8118%0.17738%0.378CS..Hα-helixtrans-63.8-37.1179.9-69.5-61.394.600112.5W160 K161 E162 D167 T168 A470 L473W160-M164 HydrophobicContact CD2-CG 4.06Å; W160-M164 HydrophobicContact CG-CG 4.48Å; W160-M164 HydrophobicContact CH2-CG 4.24Å; W160-M164 HydrophobicContact CZ2-CG 3.66Å; W160-M164 HydrophobicContact CZ2-SD 4.42Å; W160-M164 WeakPolarHBondContact O-CG 3.34Å; W160-M164 PolarHBondContact O-N 3.32Å; K161-M164 PolarHBondContact O-N 3.42Å; E162-M164 PolarHBondContact O-N 2.92Å; M164-D167 VanDerWaalsContact CE-OD2 3.26Å; M164-D167 WeakPolarHBondContact CE-OD2 3.5Å; M164-T168 WeakPolarHBondContact O-CB 3.27Å; M164-T168 PolarHBondContact O-N 2.89Å; M164-T168 PolarHBondContact O-OG1 3.06Å; M164-A470 HydrophobicContact CG-CB 4.5Å; M164-A470 HydrophobicContact SD-CB 4.1Å; M164-L473 HydrophobicContact CB-CD1 4.33Å
165L92.6Very high92.4Very high53 Ų5386.1 Ų86.128%0.27740%0.396SS..Hα-helixtrans-63.7-44.1173.9-127.773.1000111.5K161 E162 K163 T168 K169 L473 I477K161-L165 PolarHBondContact O-N 3.2Å; E162-L165 WeakPolarHBondContact O-CB 3.45Å; E162-L165 PolarHBondContact O-N 3.11Å; K163-L165 VanDerWaalsContact C-N 3.31Å; K163-L165 PolarHBondContact O-N 3Å; L165-T168 PolarHBondContact O-N 3.37Å; L165-K169 WeakPolarHBondContact O-CG 3.34Å; L165-K169 PolarHBondContact O-N 2.86Å; L165-L473 HydrophobicContact CD1-CD2 3.63Å; L165-I477 HydrophobicContact CD1-CD1 3.54Å; L165-I477 HydrophobicContact CG-CD1 3.65Å
166Q94.2Very high91.9Very high86 Ų8685.1 Ų85.140%0.40239%0.391SS..Hα-helixtrans-66.6-49-179.8-172.154.84400111.3E162 K163 T168 K169 D170E162-Q166 PolarHBondContact O-N 3.07Å; K163-Q166 PolarHBondContact O-N 3.28Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3Å; Q166-K169 WeakPolarHBondContact O-CB 3.19Å; Q166-K169 PolarHBondContact O-N 3.3Å; Q166-K169 VanDerWaalsContact O-N 3.08Å; Q166-D170 PolarHBondContact NE2-OD1 3.05Å; Q166-D170 PolarHBondContact NE2-OD2 3.33Å; Q166-D170 PolarHBondContact O-N 3.4Å
167D91.3Very high91.6Very high37 Ų3782.6 Ų82.620%0.19838%0.38CS..Hα-helixtrans-55.8-42.2175.5-72.4-5.9000111.1K163 M164 D170 I171K163-D167 IonicContact NZ-OD1 3.82Å; K163-D167 PolarHBondContact NZ-OD1 3.39Å; K163-D167 IonicContact NZ-OD2 3.19Å; K163-D167 PolarHBondContact NZ-OD2 2.95Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.82Å; M164-D167 VanDerWaalsContact CE-OD2 3.26Å; M164-D167 WeakPolarHBondContact CE-OD2 3.5Å; D167-D170 PolarHBondContact O-N 3.43Å; D167-I171 WeakPolarHBondContact O-CB 3.41Å; D167-I171 WeakPolarHBondContact O-CD1 3.44Å; D167-I171 WeakPolarHBondContact O-CG1 3.26Å; D167-I171 PolarHBondContact O-N 3.3Å
168T90.9Very high90.9Very high15 Ų1584.4 Ų84.49%0.09239%0.389CS..Hα-helixtrans-62.5-45.1177.4-58.90000111.6M164 L165 Q166 D170 I171 M172 S474 I477M164-T168 WeakPolarHBondContact O-CB 3.27Å; M164-T168 PolarHBondContact O-N 2.89Å; M164-T168 PolarHBondContact O-OG1 3.06Å; L165-T168 PolarHBondContact O-N 3.37Å; Q166-T168 VanDerWaalsContact C-N 3.26Å; Q166-T168 PolarHBondContact O-N 3Å; T168-D170 VanDerWaalsContact C-N 3.33Å; T168-D170 PolarHBondContact O-N 2.82Å; T168-I171 PolarHBondContact O-N 2.97Å; T168-M172 WeakPolarHBondContact O-CB 3.42Å; T168-M172 PolarHBondContact O-N 3.39Å; T168-S474 PolarHBondContact OG1-OG 2.89Å; T168-I477 HydrophobicContact CG2-CB 3.95Å; T168-I477 HydrophobicContact CG2-CD1 3.85Å; T168-I477 HydrophobicContact CG2-CG2 3.91Å
169K90.3Very high90.3Very high65 Ų6590.5 Ų90.528%0.28341%0.407SS..Hα-helixtrans-61.9-41.9177.2-74.5174.9178.8178.30111.2L165 Q166 M172 K173L165-K169 WeakPolarHBondContact O-CG 3.34Å; L165-K169 PolarHBondContact O-N 2.86Å; Q166-K169 WeakPolarHBondContact O-CB 3.19Å; Q166-K169 PolarHBondContact O-N 3.3Å; Q166-K169 VanDerWaalsContact O-N 3.08Å; K169-M172 PolarHBondContact O-N 3.47Å; K169-K173 WeakPolarHBondContact O-CG 3.42Å; K169-K173 PolarHBondContact O-N 3.46Å
170D90.9Very high89.6Confident69 Ų6994.1 Ų94.137%0.36942%0.419SS..Hα-helixtrans-70-40.7-178.7-66.2-23.4000111.8Q166 D167 T168 M172 K173 E174Q166-D170 PolarHBondContact NE2-OD1 3.05Å; Q166-D170 PolarHBondContact NE2-OD2 3.33Å; Q166-D170 PolarHBondContact O-N 3.4Å; D167-D170 PolarHBondContact O-N 3.43Å; T168-D170 VanDerWaalsContact C-N 3.33Å; T168-D170 PolarHBondContact O-N 2.82Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 2.99Å; D170-K173 PolarHBondContact O-N 3.14Å; D170-E174 WeakPolarHBondContact O-CB 3.36Å; D170-E174 PolarHBondContact O-N 3.28Å
171I88.9Confident88.7Confident82 Ų8294.9 Ų94.942%0.42143%0.426SS..Hα-helixtrans-58.3-43.2172-69.6163.4000111D167 T168 K175D167-I171 WeakPolarHBondContact O-CB 3.41Å; D167-I171 WeakPolarHBondContact O-CD1 3.44Å; D167-I171 WeakPolarHBondContact O-CG1 3.26Å; D167-I171 PolarHBondContact O-N 3.3Å; T168-I171 PolarHBondContact O-N 2.97Å; I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 PolarHBondContact O-N 3.38Å
172M83.7Confident87.7Confident36 Ų3696.5 Ų96.518%0.17743%0.433CS..Hα-helixtrans-67-42.9179.9-173.7174.966.800111.9T168 K169 D170 K175 R176 Y481T168-M172 WeakPolarHBondContact O-CB 3.42Å; T168-M172 PolarHBondContact O-N 3.39Å; K169-M172 PolarHBondContact O-N 3.47Å; D170-M172 VanDerWaalsContact C-N 3.3Å; D170-M172 PolarHBondContact O-N 2.99Å; M172-K175 PolarHBondContact O-N 3.02Å; M172-R176 WeakPolarHBondContact O-CG 3.32Å; M172-R176 PolarHBondContact O-N 3.27Å; M172-Y481 HydrophobicContact CE-CD1 4.06Å; M172-Y481 HydrophobicContact CE-CD2 3.9Å; M172-Y481 HydrophobicContact CE-CG 3.62Å; M172-Y481 HydrophobicContact SD-CG 4.34Å
173K91Very high86.4Confident128 Ų12898.1 Ų98.156%0.55744%0.438SS*.Hα-helixtrans-61.6-46.3175.2-74.7175.1-178.21760111.6K169 D170 K175 R176 K177K169-K173 WeakPolarHBondContact O-CG 3.42Å; K169-K173 PolarHBondContact O-N 3.46Å; D170-K173 PolarHBondContact O-N 3.14Å; K173-K175 PolarHBondContact O-N 2.77Å; K173-R176 PolarHBondContact O-N 3.14Å; K173-K177 PolarHBondContact O-N 3.35Å
174E88.6Confident85.1Confident105 Ų10599.3 Ų99.349%0.49145%0.449SS..Hα-helixtrans-63.4-42178.8-164.258.6-140.700111.3D170 R176 K177 H178D170-E174 WeakPolarHBondContact O-CB 3.36Å; D170-E174 PolarHBondContact O-N 3.28Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.92Å; E174-K177 PolarHBondContact O-N 2.93Å; E174-K177 IonicContact OE1-NZ 2.87Å; E174-H178 WeakPolarHBondContact O-CB 3.43Å; E174-H178 PolarHBondContact O-N 3.33Å
175K86.9Confident84Confident149 Ų149101.4 Ų101.465%0.64846%0.461SS*.Hα-helixtrans-61.2-38.1174.8-175.6-179.2169.4-174.60112.5I171 M172 K173 R179I171-K175 VanDerWaalsContact O-CB 3.3Å; I171-K175 WeakPolarHBondContact O-CB 3.4Å; I171-K175 PolarHBondContact O-N 3.38Å; M172-K175 PolarHBondContact O-N 3.02Å; K173-K175 PolarHBondContact O-N 2.77Å; K175-R179 WeakPolarHBondContact O-CB 3.35Å; K175-R179 PolarHBondContact O-N 2.99Å; K175-R179 VanDerWaalsContact O-N 3.11Å
176R86.6Confident82.8Confident104 Ų104104.6 Ų104.639%0.39249%0.485SS..Hα-helixtrans-67.9-44.2175.1-73.8174.6178.8-168.4-7.1111.3M172 K173 E174 R179 K180 Y481 E485M172-R176 WeakPolarHBondContact O-CG 3.32Å; M172-R176 PolarHBondContact O-N 3.27Å; K173-R176 PolarHBondContact O-N 3.14Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 2.92Å; R176-R179 WeakPolarHBondContact O-CB 3.2Å; R176-R179 PolarHBondContact O-N 2.96Å; R176-K180 PolarHBondContact O-N 3.49Å; R176-Y481 PolarHBondContact NH2-O 3.43Å; R176-Y481 VanDerWaalsContact NH2-O 3.17Å; R176-E485 IonicContact CZ-OE2 3.27Å; R176-E485 IonicContact NH1-OE2 3.01Å; R176-E485 PolarHBondContact NH1-OE2 2.95Å; R176-E485 IonicContact NH2-OE2 2.91Å; R176-E485 PolarHBondContact NH2-OE2 3.09Å
177K88.7Confident81.2Confident106 Ų106105.6 Ų105.646%0.46149%0.494SS..Hα-helixtrans-58.7-50.6175.9-177.8-176.1165.4-157.60111.5K173 E174 R179 K180 E181K173-K177 PolarHBondContact O-N 3.35Å; E174-K177 PolarHBondContact O-N 2.93Å; E174-K177 IonicContact OE1-NZ 2.87Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.2Å; K177-K180 WeakPolarHBondContact O-CA 3.12Å; K177-K180 WeakPolarHBondContact O-CB 3.4Å; K177-K180 PolarHBondContact O-N 2.83Å; K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 PolarHBondContact O-N 3.45Å
178H81.1Confident79.5Confident121 Ų121110.7 Ų110.756%0.5651%0.51SS*.Hα-helixtrans-62.3-32.3177.2-171.4-88.2000112.8E174 K182E174-H178 WeakPolarHBondContact O-CB 3.43Å; E174-H178 PolarHBondContact O-N 3.33Å; H178-K182 VanDerWaalsContact O-CB 3.23Å; H178-K182 WeakPolarHBondContact O-CB 3.48Å; H178-K182 PolarHBondContact O-N 2.68Å
179R82.2Confident77.9Confident201 Ų201113.7 Ų113.776%0.75854%0.544SS*.Hα-helixtrans-68-38.8172.4-171-178.5-178.4-144.92.5111.9K175 R176 K177 K183K175-R179 WeakPolarHBondContact O-CB 3.35Å; K175-R179 PolarHBondContact O-N 2.99Å; K175-R179 VanDerWaalsContact O-N 3.11Å; R176-R179 WeakPolarHBondContact O-CB 3.2Å; R176-R179 PolarHBondContact O-N 2.96Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.2Å; R179-K183 WeakPolarHBondContact O-CB 3.1Å; R179-K183 PolarHBondContact O-N 3.34Å
180K81.4Confident76.3Confident159 Ų159116.1 Ų116.169%0.69156%0.56SS**Hα-helixtrans-68.8-47.4176.9-171.8173.6179.8176.30111.1R176 K177 K182 K183 D184R176-K180 PolarHBondContact O-N 3.49Å; K177-K180 WeakPolarHBondContact O-CA 3.12Å; K177-K180 WeakPolarHBondContact O-CB 3.4Å; K177-K180 PolarHBondContact O-N 2.83Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 3.43Å; K180-K183 CarbonylContact O-C 3.56Å; K180-K183 WeakPolarHBondContact O-CA 3.39Å; K180-K183 WeakPolarHBondContact O-CB 3.19Å; K180-K183 PolarHBondContact O-N 3.39Å; K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 2.91Å
181E77.2Confident74.7Confident103 Ų103117.8 Ų117.848%0.48157%0.572SS.*Hα-helixtrans-59.4-40.3174.9-71.4174.4173.700111.9K177 K183 D184 N185K177-E181 WeakPolarHBondContact CE-OE1 3.48Å; K177-E181 PolarHBondContact O-N 3.45Å; E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 3.05Å; E181-D184 PolarHBondContact O-N 3.37Å; E181-N185 PolarHBondContact O-N 2.82Å
182K72.6Confident73.3Confident129 Ų129119.8 Ų119.856%0.56158%0.584SS**Hα-helixtrans-66.5-27.8172.8-173.9173.9-179.7175.60113.5H178 K180 R188H178-K182 VanDerWaalsContact O-CB 3.23Å; H178-K182 WeakPolarHBondContact O-CB 3.48Å; H178-K182 PolarHBondContact O-N 2.68Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-K182 PolarHBondContact O-N 3.43Å; K182-R188 WeakPolarHBondContact O-CD 3.3Å
183K69.8Low72.2Confident170 Ų170123.4 Ų123.474%0.73961%0.61SS**Hα-helixtrans-79.1-38.7175.9-173.4179.2176.2-174.90111.3R179 K180 E181 N185R179-K183 WeakPolarHBondContact O-CB 3.1Å; R179-K183 PolarHBondContact O-N 3.34Å; K180-K183 CarbonylContact O-C 3.56Å; K180-K183 WeakPolarHBondContact O-CA 3.39Å; K180-K183 WeakPolarHBondContact O-CB 3.19Å; K180-K183 PolarHBondContact O-N 3.39Å; E181-K183 VanDerWaalsContact C-N 3.29Å; E181-K183 PolarHBondContact O-N 3.05Å; K183-N185 VanDerWaalsContact C-N 3.35Å
184D67.3Low70.8Confident131 Ų131128.6 Ų128.670%0.70163%0.626SS**Hα-helixtrans-83-9.7-176.8-160.241.4000113.4K180 E181 P186K180-D184 WeakPolarHBondContact O-CB 3.49Å; K180-D184 PolarHBondContact O-N 2.91Å; E181-D184 PolarHBondContact O-N 3.37Å; D184-P186 WeakPolarHBondContact O-CD 3.25Å
185N68.2Low69.5Low80 Ų80132.7 Ų132.743%0.42864%0.643SS.*  trans-57.8110175.9-176.147.4000111.2E181 K183 N187 R188E181-N185 PolarHBondContact O-N 2.82Å; K183-N185 VanDerWaalsContact C-N 3.35Å; N185-N187 PolarHBondContact O-N 2.9Å; N185-R188 VanDerWaalsContact O-CB 3.31Å; N185-R188 WeakPolarHBondContact O-CB 3.49Å; N185-R188 PolarHBondContact O-N 3.27Å
186P66.1Low68Low120 Ų120132.8 Ų132.878%0.77965%0.648SS**G310 helixtrans-66.4-16.7-173.925.6-33.3000112.8D184 R188D184-P186 WeakPolarHBondContact O-CD 3.25Å; P186-R188 VanDerWaalsContact C-N 3.26Å; P186-R188 PolarHBondContact O-N 2.99Å
187N60.8Low66.7Low108 Ų108136.3 Ų136.358%0.57867%0.667SS**G310 helixtrans-76.9-3.8173.7-103.3-47.3000114.4N185 G189 N190N185-N187 PolarHBondContact O-N 2.9Å; N187-G189 VanDerWaalsContact C-N 3.34Å; N187-N190 PolarHBondContact O-N 3.42Å
188R56.8Low65.5Low144 Ų144135.6 Ų135.654%0.54367%0.671SS.*G310 helixtrans-73.3-26.6-179.7-153.9178.2-176.1-160.7-2.8113K182 N185 P186 N190K182-R188 WeakPolarHBondContact O-CD 3.3Å; N185-R188 VanDerWaalsContact O-CB 3.31Å; N185-R188 WeakPolarHBondContact O-CB 3.49Å; N185-R188 PolarHBondContact O-N 3.27Å; P186-R188 VanDerWaalsContact C-N 3.26Å; P186-R188 PolarHBondContact O-N 2.99Å; R188-N190 VanDerWaalsContact C-N 3.28Å
189G56.7Low64.6Low78 Ų78138.3 Ų138.380%0.80468%0.676SS**G310 helixtrans-73.5-17.5172.700000113.8N187N187-G189 VanDerWaalsContact C-N 3.34Å
190N56.5Low64.1Low115 Ų115135.7 Ų135.762%0.61567%0.671SS**G310 helixtrans-98.513.4178.7-144.622.5000113N187 R188 N192N187-N190 PolarHBondContact O-N 3.42Å; R188-N190 VanDerWaalsContact C-N 3.28Å; N190-N192 VanDerWaalsContact C-N 3.25Å; N190-N192 PolarHBondContact O-N 3.47Å; N190-N192 PolarHBondContact O-OD1 3.48Å
191V58.2Low63.3Low105 Ų105134.5 Ų134.564%0.63667%0.667SS**  trans-72.392.5162.7-1770000105.9P193V191-P193 VanDerWaalsContact O-N 3.14Å
192N59.1Low62.7Low123 Ų123135.4 Ų135.466%0.65867%0.672SS**  trans-44.8127.4167-66.579.6000107.1N190 R194N190-N192 VanDerWaalsContact C-N 3.25Å; N190-N192 PolarHBondContact O-N 3.47Å; N190-N192 PolarHBondContact O-OD1 3.48Å; N192-R194 PolarHBondContact O-N 2.96Å
193P61Low62.4Low113 Ų113137.3 Ų137.373%0.73468%0.675SS**  trans-49.4125171.319.3-29.7000106.1V191 K195V191-P193 VanDerWaalsContact O-N 3.14Å; P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 PolarHBondContact O-N 3.05Å
194R60.7Low62.4Low237 Ų237134.7 Ų134.789%0.89467%0.666SS**  trans-50.8110.5174.8-80.1-175.1-174.4-171.71.5104.8N192 I196N192-R194 PolarHBondContact O-N 2.96Å; R194-I196 PolarHBondContact O-N 3.21Å
195K62.4Low62.3Low191 Ų191133.8 Ų133.883%0.8366%0.656SS**  trans-49.6116.7174.7-69.5-176.2-179.4-177.90104.5P193 K197P193-K195 VanDerWaalsContact C-N 3.35Å; P193-K195 PolarHBondContact O-N 3.05Å; K195-K197 PolarHBondContact O-N 3.03Å
196I55.1Low62.1Low150 Ų150134.9 Ų134.977%0.76966%0.66SS**  trans-60.7100.4171.7-65.9167.9000103.4R194 T198R194-I196 PolarHBondContact O-N 3.21Å; I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.28Å
197K60.2Low62.3Low179 Ų179137.7 Ų137.778%0.77866%0.659SS**  trans-66.791.2169.2-85.6-175.8165.3-178.10105K195 R199K195-K197 PolarHBondContact O-N 3.03Å; K197-R199 PolarHBondContact O-N 2.92Å
198T63.4Low62.3Low91 Ų91139.5 Ų139.556%0.55867%0.666SS**  trans-59.5129.1167.440.50000107.3I196 K200 E201I196-T198 HydrophobicContact CG2-CG2 4.3Å; I196-T198 PolarHBondContact O-N 3.28Å; T198-K200 PolarHBondContact O-N 3.01Å; T198-E201 PolarHBondContact O-N 2.84Å
199R61.7Low62.3Low177 Ų177133.5 Ų133.567%0.66865%0.649SS**THydrogen-bonded Turntrans-51.1-15.8177.9-148.6-179.3-177.2170.5-0.2113.6K197 E201 E202 W203K197-R199 PolarHBondContact O-N 2.92Å; R199-E201 VanDerWaalsContact C-N 3.35Å; R199-E201 PolarHBondContact O-N 2.93Å; R199-E202 WeakPolarHBondContact O-CB 3.49Å; R199-E202 PolarHBondContact O-N 3.39Å; R199-W203 PolarHBondContact O-N 2.61Å
200K70.3Confident62.1Low147 Ų147136.6 Ų136.664%0.63964%0.643SS**Hα-helixtrans-52.1-44.1173.7-172.4178.9177-1750113.7T198 E202 W203 E204T198-K200 PolarHBondContact O-N 3.01Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.34Å; K200-W203 PolarHBondContact O-N 3.31Å; K200-E204 VanDerWaalsContact O-CB 3.24Å; K200-E204 WeakPolarHBondContact O-CB 3.45Å; K200-E204 PolarHBondContact O-N 3.41Å
201E64.8Low62.1Low133 Ų133138.3 Ų138.362%0.62165%0.647SS**Hα-helixtrans-68.1-33.6-178.6-164.7176.2-158.800111.4T198 R199 K205T198-E201 PolarHBondContact O-N 2.84Å; R199-E201 VanDerWaalsContact C-N 3.35Å; R199-E201 PolarHBondContact O-N 2.93Å; E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 VanDerWaalsContact O-N 3.12Å
202E64.7Low61.8Low123 Ų123140.7 Ų140.758%0.57565%0.649SS**Hα-helixtrans-69.5-42174.3-133.2-177.8-164.200111.9R199 K200 K205 M206R199-E202 WeakPolarHBondContact O-CB 3.49Å; R199-E202 PolarHBondContact O-N 3.39Å; K200-E202 VanDerWaalsContact C-N 3.3Å; K200-E202 PolarHBondContact O-N 3.34Å; E202-K205 PolarHBondContact O-N 2.89Å; E202-M206 PolarHBondContact O-N 2.97Å; E202-M206 VanDerWaalsContact O-N 3.08Å
203W66.4Low61.6Low168 Ų168137.1 Ų137.164%0.63663%0.632SS**Hα-helixtrans-71.3-34.8177.1-81.763.3000112.9R199 K200 K205 M206 K207R199-W203 PolarHBondContact O-N 2.61Å; K200-W203 PolarHBondContact O-N 3.31Å; W203-K205 VanDerWaalsContact C-N 3.34Å; W203-M206 CarbonylContact O-C 3.54Å; W203-M206 PolarHBondContact O-N 3.22Å; W203-K207 WeakPolarHBondContact O-CB 3.45Å; W203-K207 PolarHBondContact O-N 2.9Å
204E69.9Low61Low115 Ų115140 Ų14054%0.53764%0.636SS.*Hα-helixtrans-70.8-34.6177.1-160.9163.9-141.600110.8K200 K207K200-E204 VanDerWaalsContact O-CB 3.24Å; K200-E204 WeakPolarHBondContact O-CB 3.45Å; K200-E204 PolarHBondContact O-N 3.41Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.17Å
205K65.8Low60.2Low112 Ų112133.9 Ų133.949%0.48763%0.629SS.*Hα-helixtrans-66.9-34.8169.7-142.4-172.7177.8-176.70112.6E201 E202 W203 V213E201-K205 WeakPolarHBondContact O-CB 3.48Å; E201-K205 PolarHBondContact O-N 2.92Å; E201-K205 VanDerWaalsContact O-N 3.12Å; E202-K205 PolarHBondContact O-N 2.89Å; W203-K205 VanDerWaalsContact C-N 3.34Å; K205-V213 HydrophobicContact CD-CB 4.49Å; K205-V213 HydrophobicContact CD-CG1 4.02Å; K205-V213 HydrophobicContact CD-CG2 3.98Å; K205-V213 HydrophobicContact CG-CG2 3.97Å
206M62.7Low59.1Low104 Ų104133.4 Ų133.451%0.51263%0.627SS.*Hα-helixtrans-77.1-22.2172.7-74.2-166.8-178.400113.7E202 W203 M208 G209E202-M206 PolarHBondContact O-N 2.97Å; E202-M206 VanDerWaalsContact O-N 3.08Å; W203-M206 CarbonylContact O-C 3.54Å; W203-M206 PolarHBondContact O-N 3.22Å; M206-M208 VanDerWaalsContact C-N 3.29Å; M206-M208 PolarHBondContact O-N 3.46Å; M206-G209 PolarHBondContact O-N 2.97Å
207K70.4Confident58.3Low178 Ų178133.9 Ų133.977%0.77463%0.626SS**Hα-helixtrans-67.4-28.8178.3-176.1-176.4175.3-171.60112.5W203 E204 G209W203-K207 WeakPolarHBondContact O-CB 3.45Å; W203-K207 PolarHBondContact O-N 2.9Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.17Å; K207-G209 PolarHBondContact O-N 2.86Å
208M62.3Low57.3Low146 Ų146133.8 Ų133.872%0.71963%0.625SS**THydrogen-bonded Turntrans-83.36.4177-73.8-69.1-74.400113.7M206 F212M206-M208 VanDerWaalsContact C-N 3.29Å; M206-M208 PolarHBondContact O-N 3.46Å; M208-F212 WeakPolarHBondContact O-CD2 3.45Å
209G55.5Low56.1Low18 Ų18137 Ų13719%0.18664%0.638CS.*  trans94.4133.9-175.100000111.4M206 K207 E211 F212M206-G209 PolarHBondContact O-N 2.97Å; K207-G209 PolarHBondContact O-N 2.86Å; G209-E211 PolarHBondContact O-N 3.34Å; G209-F212 PolarHBondContact O-N 3.12Å
210Q52.8Low54.6Low143 Ų143131.9 Ų131.967%0.66864%0.64SS**G310 helixtrans-66.6-18-176.8-170.1152.7-1.600112.2F212Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 3.31Å
211E57.2Low53.2Low151 Ų151131 Ų13171%0.70665%0.65SS**G310 helixtrans-72.4-13173.461.7-86.8173.300115.8G209G209-E211 PolarHBondContact O-N 3.34Å
212F51.5Low51.7Low156 Ų156130.7 Ų130.768%0.68466%0.663SS**G310 helixtrans-103.75.2-179.5-69.7-80.4000114.3M208 G209 Q210 E214M208-F212 WeakPolarHBondContact O-CD2 3.45Å; G209-F212 PolarHBondContact O-N 3.12Å; Q210-F212 VanDerWaalsContact C-N 3.34Å; Q210-F212 PolarHBondContact O-N 3.31Å; F212-E214 PolarHBondContact O-N 2.82Å
213V55Low50.1Low47 Ų47127.7 Ų127.729%0.28566%0.664SS.*SBendtrans-7693.2168.8179.70000107.5K205 S215K205-V213 HydrophobicContact CD-CB 4.49Å; K205-V213 HydrophobicContact CD-CG1 4.02Å; K205-V213 HydrophobicContact CD-CG2 3.98Å; K205-V213 HydrophobicContact CG-CG2 3.97Å; V213-S215 PolarHBondContact O-N 3.33Å
214E47.6Very low48.7Very low175 Ų175130.3 Ų130.382%0.81868%0.676SS**  trans-54.7107.7179.4-166164.5-149.700111F212 K216F212-E214 PolarHBondContact O-N 2.82Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.93Å
215S44.1Very low47.1Very low107 Ų107129.9 Ų129.975%0.74868%0.683SS**  trans-68.491171.7-61.90000107.9V213 E217V213-S215 PolarHBondContact O-N 3.33Å; S215-E217 PolarHBondContact O-N 3.27Å
216K40.7Very low45.6Very low181 Ų181130.9 Ų130.979%0.78770%0.7SS**  trans-74.177.1167.8-166.2169.3-175166.20109.3E214 K218E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 2.93Å; K216-K218 PolarHBondContact O-N 3.06Å
217E37.9Very low44.2Very low161 Ų161131.9 Ų131.975%0.75271%0.713SS**  trans-61.4118.3162-172.4172.2-177.100108.6S215S215-E217 PolarHBondContact O-N 3.27Å
218K38.7Very low42.6Very low177 Ų177131 Ų13177%0.7772%0.716SS**  trans-112.787.4154.9-75.8-148.7175.7-164.10108.5K216K216-K218 PolarHBondContact O-N 3.06Å
219L37.5Very low41.1Very low157 Ų157131 Ų13182%0.82272%0.723SS**SBendtrans51.8109.9145.2-72.478.9000120.1
220G29.9Very low40Very low70 Ų70140.3 Ų140.372%0.72275%0.754SS**  trans138.1133.5145.100000115.1
221P41.5Very low38.9Very low129 Ų129140.9 Ų140.984%0.83876%0.757SS**  trans-104.3154.4-134.137.7-32.6000116.5
222S34.1Very low37.6Very low127 Ų127141.3 Ų141.389%0.88876%0.764SS**  trans85.5111.9150.1-158.30000118.6
223G30.4Very low36.4Very low59 Ų59137 Ų13761%0.60876%0.764SS**  121.183.4129.100000118.2
224Y37.8Very low35.4Very low224 Ų224140.2 Ų140.288%0.87879%0.789SS**  trans69.7139.7146.8-67.3-86.8000121.5
225P35.5Very low34.6Very low106 Ų106139.5 Ų139.569%0.68879%0.789SS**  trans-85.4141.517634.4-32.2000112.1T227P225-T227 PolarHBondContact O-N 2.87Å
226P34.8Very low34Very low132 Ų132137.8 Ų137.886%0.85779%0.788SS**  trans-94.790.2172.134.6-27.4000110.3
227T33.7Very low33.4Very low125 Ų125134.8 Ų134.877%0.76779%0.789SS**  trans-128.483.9152.931.40000108.6P225P225-T227 PolarHBondContact O-N 2.87Å
228L35.2Very low33Very low161 Ų161133.6 Ų133.684%0.84379%0.792SS**  trans-138105.6150.3-78.4179.9000107.6Y230L228-Y230 PolarHBondContact O-N 2.79Å
229V31.6Very low32.6Very low144 Ų144134.6 Ų134.687%0.87380%0.799SS**  trans-69.5115.2160.6175.90000106.1
230Y32.5Very low32.2Very low214 Ų214134.5 Ų134.584%0.83980%0.799SS**  trans-113.2145.8153.3-114.6-88.3000109.4L228L228-Y230 PolarHBondContact O-N 2.79Å
231Q29.5Very low32.4Very low156 Ų156136.8 Ų136.873%0.72980%0.799SS**  trans-82150.5-170.7-176.7176.86.900111.4
232N30.3Very low31.8Very low159 Ų159137.2 Ų137.285%0.8579%0.794SS**  trans73.5140.8159.8-87.59.4000121.9
233G26.8Very low31.5Very low66 Ų66135.9 Ų135.968%0.6879%0.791SS**  trans104.4120.2167.100000112.3
234S33.8Very low31.7Very low115 Ų115138 Ų13880%0.80480%0.797SS**  46.3120.879.2-148.10000109.6
235I30.3Very low31.3Very low160 Ų160132.6 Ų132.682%0.82179%0.791SS**  -171.9157.858.8-34.4-177.2000106.7
236G30.9Very low31.2Very low71 Ų71138.2 Ų138.273%0.73280%0.801SS**  trans58.6130.7132.500000121.6
237C28Very low31.5Very low118 Ų118137 Ų13780%0.79779%0.792SS**  trans-142.892.9155.8-161.80000107.2
238V30.2Very low31.7Very low135 Ų135136.8 Ų136.882%0.81879%0.793SS**  43.4104.398.1-55.20000114.9
239E29.6Very low31.7Very low198 Ų198134.6 Ų134.693%0.92579%0.789SS**PPolyproline II helixtrans-84.1133.6174-140.9165.8159.800108.8
240N30.6Very low32Very low155 Ų155133.8 Ų133.883%0.82979%0.787SS**PPolyproline II helixtrans-90.6135.4176.3-144.7-47.8000109.6
241V32.9Very low32.2Very low118 Ų118132.7 Ų132.772%0.71579%0.789SS**PPolyproline II helixtrans-88.7134.1-171.632.50000110
242D29.8Very low32.3Very low138 Ų138131 Ų13174%0.73880%0.795SS**  176.3120.3115.9-165.654.2000111.6
243A27.3Very low32.3Very low99 Ų99130.9 Ų130.982%0.81879%0.794SS**  trans-165.498.8155.800000109.6
244S34.8Very low32.6Very low104 Ų104133.4 Ų133.473%0.72780%0.801SS**  trans-79.7130.1170-68.50000111.7
245S29.8Very low32.6Very low110 Ų110132.9 Ų132.977%0.76980%0.804SS**  trans167.3105.8132-77.60000114.6
246Y33.3Very low32.5Very low224 Ų224131.2 Ų131.288%0.87881%0.806SS**  trans53.8158.3144.8-81.8-94.8000122.9
247P40.9Very low32.7Very low106 Ų106133.5 Ų133.569%0.68881%0.811SS**  -124.4169.9-53.831.7-13.5000113.2
248P37.7Very low33.3Very low121 Ų121133.4 Ų133.479%0.78681%0.809SS**PPolyproline II helixtrans-95.7153173.735.5-30.3000114.1
249P35.7Very low33.2Very low116 Ų116132.3 Ų132.375%0.75381%0.808SS**PPolyproline II helixtrans-86.2166.7172.535.8-32.3000112.6
250P38.3Very low33.7Very low126 Ų126128.9 Ų128.982%0.81880%0.803SS**PPolyproline II helixtrans-85.6151-15233.8-33.9000114.5
251Q34.9Very low33.8Very low191 Ų191126.9 Ų126.989%0.89380%0.8SS**PPolyproline II helixtrans-80.6145.3170.3-63.8-170.9-54.800110.9
252S33.1Very low33.8Very low122 Ų122130.3 Ų130.385%0.85381%0.806SS**PPolyproline II helixtrans-101.5131.9165.8-62.30000110.1
253D29.1Very low34Very low156 Ų156128.6 Ų128.683%0.83481%0.805SS**PPolyproline II helixtrans-61145.4174.3-69-62.3000113.7
254S33.8Very low34.2Very low118 Ų118133 Ų13383%0.82581%0.808SS**  179.5109118.4-81.20000113.4
255A32.9Very low34.4Very low104 Ų104135.5 Ų135.586%0.8681%0.814SS**  trans27.9125.1134.400000122.6
256S29Very low34.9Very low125 Ų125137 Ų13787%0.87481%0.813SS**  -158.3142.6128.454.70000112.6
257S34.3Very low35.2Very low119 Ų119134.4 Ų134.483%0.83281%0.814SS**  trans-75.3179.5-160.4-53.80000117.6
258P40.7Very low35.4Very low117 Ų117134.6 Ų134.676%0.7682%0.815SS**  trans-112.7171-145.143.8-38.5000119.3
259S28.3Very low36.1Very low112 Ų112134.5 Ų134.578%0.78381%0.814SS**  trans81.8153.8150.3-56.90000120.5
260P40.9Very low36.7Very low126 Ų126134.8 Ų134.882%0.81882%0.816SS**  cis-130167.99.238.3-19.8000117.2
261S33.5Very low36.9Very low112 Ų112134.8 Ų134.878%0.78382%0.816SS**  trans-70139.2172.4-167.80000112
262F31.2Very low37Very low191 Ų191130.4 Ų130.484%0.83881%0.813SS**  trans-124.6127.1161.5-142.8-91000108.8
263S35.1Very low37Very low101 Ų101132.6 Ų132.671%0.70681%0.809SS**  trans-82.7131.6179.7-44.80000109.4
264E31.9Very low37.1Very low192 Ų192132.6 Ų132.690%0.89780%0.802SS**  trans-130.977.8169.5-155.4142.8106.500108.8
265D37.9Very low36.8Very low157 Ų157132.9 Ų132.984%0.8480%0.804SS**  trans-104.7138.9159.9-167.7-115000106.3
266N41.3Very low36.8Very low140 Ų140137.1 Ų137.175%0.74980%0.799SS**  trans101.878.8169.9-151.616.4000117.9
267L38.4Very low37.3Very low171 Ų171136.9 Ų136.990%0.89580%0.795SS**  trans-147.9146.5139.5-77.3-172.6000112.2
268P45.4Very low37.1Very low109 Ų109137.6 Ų137.671%0.70879%0.794SS**PPolyproline II helixtrans-92.4164.5-159.336.2-35.7000116.1
269P53.4Low36.5Very low120 Ų120139.3 Ų139.378%0.77980%0.796SS**PPolyproline II helixtrans-79.9155.2-17731.9-35.3000114.6
270P46.9Very low36.6Very low122 Ų122141.3 Ų141.379%0.79280%0.798SS**PPolyproline II helixtrans-76.7155.4178.731.7-34.7000113.4
271P41.9Very low36.2Very low125 Ų125143.4 Ų143.481%0.81280%0.797SS**PPolyproline II helixtrans-84.7153.1-162.933.8-34.8000114.5
272A38.8Very low36.1Very low100 Ų100149.6 Ų149.683%0.82680%0.803SS**PPolyproline II helixtrans-92.8125.4173.200000110.6
273E31.5Very low36Very low167 Ų167144.2 Ų144.278%0.7880%0.802SS**  trans-141.4141164.1-67.7-164170.700112.2
274F32Very low35.7Very low156 Ų156145.9 Ų145.968%0.68481%0.814SS**  trans79.782.8172.8-65.8-86.7000119.2Y276F274-Y276 HydrophobicContact CD1-CD2 4.17Å; F274-Y276 AromaticContact CD1-CE2 3.63Å; F274-Y276 HydrophobicContact CD1-CE2 3.63Å; F274-Y276 AromaticContact CE1-CE2 3.73Å; F274-Y276 HydrophobicContact CE1-CE2 3.73Å
275S27.4Very low35.6Very low124 Ų124139.9 Ų139.987%0.86780%0.803SS**  trans-135.5120.9146.4-890000109.4
276Y32.1Very low35.3Very low193 Ų193140.9 Ų140.976%0.75781%0.808SS**  trans-115.8159.9170.4-70.2-68.5000109.1F274F274-Y276 HydrophobicContact CD1-CD2 4.17Å; F274-Y276 AromaticContact CD1-CE2 3.63Å; F274-Y276 HydrophobicContact CD1-CE2 3.63Å; F274-Y276 AromaticContact CE1-CE2 3.73Å; F274-Y276 HydrophobicContact CE1-CE2 3.73Å
277P40Very low34.9Very low120 Ų120138.7 Ų138.778%0.77981%0.809SS**  -95.9164.6-12835.6-36.9000115.7
278V29.8Very low34.5Very low134 Ų134134 Ų13481%0.81280%0.802SS**  trans-48.4132.1163.3139.20000111.8
279D29.3Very low34.6Very low153 Ų153134.3 Ų134.382%0.81880%0.804SS**  trans-141.2117.9149.6-127.1-38.5000108.3
280N30.3Very low33.5Very low154 Ų154138 Ų13882%0.82481%0.808SS**  trans-121.6100.9-174-152.222.8000107.8
281Q32.5Very low32.7Very low170 Ų170143.4 Ų143.479%0.79481%0.812SS**  trans-125104.4168.1-82.4-169.578.600110.7
282R30.8Very low32.1Very low242 Ų242143.3 Ų143.391%0.91382%0.815SS**  53.7117.2124.1-148-178.5-142.5-108.83.8117.8
283G28.5Very low31.8Very low79 Ų79143 Ų14381%0.81481%0.806SS**  trans162.4100.5154.200000116
284S30.1Very low32Very low136 Ų136141.4 Ų141.495%0.95181%0.808SS**  trans-73.2150.6175.8-164.80000113
285G29.6Very low32.1Very low65 Ų65140.8 Ų140.867%0.6782%0.817SS**  trans155.293.6156.200000119.4
286L31.9Very low32.3Very low178 Ų178139.5 Ų139.593%0.93281%0.808SS**  52134.4129.1-75.1152.9000123.6
287A32.6Very low32.6Very low94 Ų94136.2 Ų136.278%0.77781%0.81SS**  trans80.9120.9144.300000119.3
288G30.3Very low32.5Very low72 Ų72135.6 Ų135.674%0.74281%0.808SS**  trans-76.7-165.915400000111.1
289P47Very low32.8Very low117 Ų117137.9 Ų137.976%0.7681%0.81SS**  cis-123.2171.3-14.737.1-21.5000112.1
290K29.8Very low33.8Very low197 Ų197135.9 Ų135.986%0.85781%0.805SS**  trans156.2131.4137.9-85.2172.6-171.1-170.70114.1
291R31.4Very low34.9Very low236 Ų236134.1 Ų134.189%0.89180%0.802SS**  trans20.1146.9141.5-68.9-177.9162-131.4-3.5122.3
292S29.2Very low35.3Very low123 Ų123132.1 Ų132.186%0.8680%0.803SS**  trans72.3153.1159.380.30000114.4
293S31.1Very low36Very low93 Ų93125 Ų12565%0.6580%0.796SS**  cis179.5146.6-13.3172.40000103.2
294V36.3Very low37.2Very low134 Ų134126.6 Ų126.681%0.81279%0.792SS**  trans42.5117.9162.2-65.20000120.5
295V33.5Very low37.8Very low143 Ų143126.4 Ų126.487%0.86779%0.788SS**  -165.3136.9123118.10000112.1
296S32.2Very low38.2Very low97 Ų97131.9 Ų131.968%0.67880%0.801SS**  trans-76.4148.6174.6-167.10000111.7
297P38.5Very low38.3Very low124 Ų124127.1 Ų127.181%0.80580%0.795SS**  trans-105.7113.3148.8-11.430.1000111.8H299P297-H299 PolarHBondContact O-N 2.87Å
298S37.4Very low38.5Very low106 Ų106127.9 Ų127.974%0.74180%0.795SS**  trans-58.3120.1168.8-54.50000112.3
299H37.2Very low39.2Very low183 Ų183130.3 Ų130.385%0.84780%0.797SS**  trans-177.6126.1137.2-110.3-82.8000110.4P297P297-H299 PolarHBondContact O-N 2.87Å
300P49.5Very low38.6Very low110 Ų110129.9 Ų129.971%0.71480%0.804SS**PPolyproline II helixtrans-82146.1171.131.7-31.1000111.3
301P52.7Low38.8Very low118 Ų118124 Ų12477%0.76680%0.799SS**PPolyproline II helixtrans-70.3152.4167.629.5-32.7000111.1
302P42.7Very low39.4Very low127 Ų127119 Ų11983%0.82580%0.797SS**PPolyproline II helixtrans-72.2141.4-173.328.9-33000112.4
303A45.3Very low39.8Very low92 Ų92123 Ų12376%0.7680%0.799SS**PPolyproline II helixtrans-75.1146.9174.700000111.9
304P52Low40.2Very low113 Ų113124.3 Ų124.373%0.73481%0.805SS**PPolyproline II helixtrans-73.5151.2174.130.3-32.7000111.5
305P42.7Very low40.1Very low132 Ų132121.7 Ų121.786%0.85781%0.806SS**PPolyproline II helixtrans-75.1132.3-170.728.9-32.9000112.8
306L39Very low40.5Very low180 Ų180124.9 Ų124.994%0.94281%0.808SS**PPolyproline II helixtrans-89123.8163-99.5124.3000109.8
307G34.1Very low41.2Very low78 Ų78124.5 Ų124.580%0.80481%0.811SS**  trans-157.2107168.900000110.9
308S36.5Very low42.1Very low111 Ų111124 Ų12478%0.77681%0.808SS**  trans-81.7167.9166-60.90000109.5
309P44.7Very low42.9Very low123 Ų123124.5 Ų124.580%0.79981%0.809SS**  cis-152.1172.240.439.1-15000119.9
310A34.8Very low43.5Very low108 Ų108121.9 Ų121.989%0.89381%0.808SS**  trans48.5115.414700000122.5
311G34.5Very low44.1Very low74 Ų74121 Ų12176%0.76381%0.81SS**  trans179.6149.7160.300000112.3
312P43.1Very low44.5Very low130 Ų130120.9 Ų120.984%0.84481%0.809SS**PPolyproline II helixtrans-86.2150.5-142.233.7-35.3000116
313K38.9Very low45.3Very low206 Ų206120.5 Ų120.590%0.89681%0.806SS**PPolyproline II helixtrans-59136.2174.2-65176175.3173.90112.8
314P38.1Very low46.2Very low121 Ų121121.6 Ų121.679%0.78681%0.806SS**PPolyproline II helixtrans-95140.3149.90.219.6000110.6
315G35.4Very low46.6Very low80 Ų80121.7 Ų121.783%0.82581%0.807SS**PPolyproline II helixtrans-59.9137.3-165.500000116.8
316F40.2Very low47.5Very low209 Ų209121 Ų12192%0.91780%0.802SS**  trans-78112153.4-88.4-94.3000108.3
317A47.2Very low48.6Very low89 Ų89117.1 Ų117.174%0.73679%0.788SS**PPolyproline II helixtrans-77135.7162.900000109.1
318P58.3Low49.2Very low113 Ų113119 Ų11973%0.73479%0.786SS**PPolyproline II helixtrans-70.2156.2170.129.6-32.1000110.8
319P53.3Low49.7Very low118 Ų118122.1 Ų122.177%0.76679%0.79SS**PPolyproline II helixtrans-63.5150.6-18027.5-34.3000111.5
320P50.4Low49.9Very low128 Ų128124.4 Ų124.483%0.83179%0.794SS**PPolyproline II helixtrans-67.3139.2-178.427.5-32.3000111.3
321A61.5Low50.8Low91 Ų91122.3 Ų122.375%0.75278%0.783SS**PPolyproline II helixtrans-66.8151.317600000111.9
322P62Low51.2Low115 Ų115126.3 Ų126.375%0.74779%0.785SS**PPolyproline II helixtrans-64.6152.5174.727.3-33.8000111.6
323P59.4Low51.5Low119 Ų119125.9 Ų125.977%0.77378%0.782SS**PPolyproline II helixtrans-64.5148.7-177.926.6-33.9000112
324P63.2Low51.9Low115 Ų115121.3 Ų121.375%0.74778%0.776SS**PPolyproline II helixtrans-68.1150.4-18028-33.9000112
325P60.7Low52.6Low116 Ų116121 Ų12175%0.75378%0.775SS**PPolyproline II helixtrans-65.3149.7175.327.5-33.5000111.5
326P62.7Low53.9Low116 Ų116123 Ų12375%0.75377%0.773SS**PPolyproline II helixtrans-65.4149.7-179.926.6-33.4000112
327P62.3Low54.8Low100 Ų100118.6 Ų118.665%0.64977%0.765SS**PPolyproline II helixtrans-66.8148.4-178.927.3-33.3000111.6M329P327-M329 PolarHBondContact O-N 3.12Å
328P46.7Very low54.6Low118 Ų118120.4 Ų120.477%0.76677%0.769SS**PPolyproline II helixtrans-68117.6-178.226.5-31.3000110.4I330P328-I330 PolarHBondContact O-N 3.06Å; P328-I330 VanDerWaalsContact O-N 3.13Å
329M45.9Very low54Low175 Ų175122.3 Ų122.386%0.86278%0.779SS**  trans-67.5106.1168.2-72.1-79.7114.200108.7P327P327-M329 PolarHBondContact O-N 3.12Å
330I48.2Very low53.7Low171 Ų171119.4 Ų119.488%0.87777%0.77SS**  trans-71.3124.3168-69.4162000107.8P328P328-I330 PolarHBondContact O-N 3.06Å; P328-I330 VanDerWaalsContact O-N 3.13Å
331G54.7Low52.9Low65 Ų65123.8 Ų123.867%0.6778%0.777SS**  trans120.438.115300000119.7
332I43.9Very low51.8Low157 Ų157122.9 Ų122.981%0.80578%0.776SS**  trans-132.7125160.5-52.9175.7000109
333P47.9Very low50.8Low121 Ų121122.9 Ų122.979%0.78678%0.779SS**PPolyproline II helixtrans-71.3135.717828.3-31.9000111.2
334S48.8Very low49.9Very low110 Ų110123.6 Ų123.677%0.76978%0.784SS**PPolyproline II helixtrans-73.6147.7176.1-39.60000111.5
335P52Low48.8Very low116 Ų116121.6 Ų121.675%0.75378%0.784SS**PPolyproline II helixtrans-71.5152.6173.430.9-33.1000111.1
336P61.7Low48.1Very low121 Ų121122.5 Ų122.579%0.78679%0.788SS**PPolyproline II helixtrans-69.6145.8-179.628.5-33.5000111.9
337P59Low47.5Very low117 Ų117122.7 Ų122.776%0.7679%0.789SS**PPolyproline II helixtrans-77.7152.1179.631-33.7000112.4
338P44Very low47Very low126 Ų126123.5 Ų123.582%0.81879%0.794SS**PPolyproline II helixtrans-70.2142.9170.430-31.2000110.5
339V45.5Very low47.2Very low154 Ų154123.4 Ų123.493%0.93379%0.793SS**SBendtrans-68.3127.9179177.30000110.1
340G46.2Very low47.4Very low57 Ų57121.1 Ų121.159%0.58879%0.791SS**  trans11490157.500000114.9
341F35.1Very low47.5Very low219 Ų219118.4 Ų118.496%0.96179%0.788SS**  trans-159.6128.9141.1-108.6-80.6000108.2
342G37.8Very low47.3Very low72 Ų72120.9 Ų120.974%0.74279%0.792SS**PPolyproline II helixtrans-72.6163.6-176.100000113.9
343S41.5Very low47.2Very low116 Ų116118.3 Ų118.381%0.81179%0.785SS**PPolyproline II helixtrans-48.6155.1177.7-55.10000114.9G345S343-G345 PolarHBondContact O-N 3.19Å
344P40.9Very low46.9Very low134 Ų134118.6 Ų118.687%0.8779%0.791SS**PPolyproline II helixtrans-72.5117.8-176.829.1-32.5000111.3
345G39.2Very low46.9Very low73 Ų73121.8 Ų121.875%0.75379%0.791SS**PPolyproline II helixtrans-75.7138.4171.400000111.9S343S343-G345 PolarHBondContact O-N 3.19Å
346T46.1Very low46.4Very low135 Ų135121.5 Ų121.583%0.82879%0.789SS**PPolyproline II helixtrans-49.9146.7169.337.80000113.4
347P49.8Very low45.7Very low119 Ų119122 Ų12277%0.77379%0.792SS**PPolyproline II helixtrans-69.6150.5176.729.8-33.7000111.8
348P51.2Low44.7Very low118 Ų118125 Ų12577%0.76680%0.796SS**PPolyproline II helixtrans-72.7153.5178.930.9-33.8000111.8
349P52.5Low45Very low115 Ų115124.1 Ų124.175%0.74779%0.79SS**PPolyproline II helixtrans-72.3156.3177.330.7-34.2000112.1
350P49.2Very low45.1Very low127 Ų127124.1 Ų124.183%0.82579%0.785SS**PPolyproline II helixtrans-71.8143.8179.829.1-33.6000112.4
351S50.8Low44.9Very low114 Ų114131.3 Ų131.380%0.79780%0.801SS**PPolyproline II helixtrans-65.1144.1177.4-500000112.7
352P49.6Very low45.5Very low118 Ų118125.7 Ų125.777%0.76680%0.795SS**PPolyproline II helixtrans-75.8156176.530.9-33.3000112.5
353P42.1Very low46.1Very low102 Ų102126.5 Ų126.566%0.66279%0.794SS**PPolyproline II helixtrans-71.3136.2-178.727.6-32.5000112.5F355P353-F355 HydrophobicContact CG-CE2 4.2Å; P353-F355 PolarHBondContact O-N 3.25Å
354S42.6Very low46.8Very low128 Ų128126.6 Ų126.690%0.89579%0.792SS**PPolyproline II helixtrans-67.8121.5172.3-76.70000111.5
355F47.3Very low47.7Very low176 Ų176125.9 Ų125.977%0.77279%0.787SS**PPolyproline II helixtrans-100.6149.9165.4-76.1-83.2000110.6P353P353-F355 HydrophobicContact CG-CE2 4.2Å; P353-F355 PolarHBondContact O-N 3.25Å
356P43.1Very low48.5Very low110 Ų110128 Ų12871%0.71479%0.788SS**PPolyproline II helixtrans-72153.3176.931.3-33.1000111.3H358P356-H358 PolarHBondContact O-N 2.85Å
357P45.6Very low49.1Very low132 Ų132127.2 Ų127.286%0.85779%0.785SS**PPolyproline II helixtrans-78.6125.8-167.931-32000111.8
358H37.6Very low49.6Very low179 Ų179127.1 Ų127.183%0.82978%0.784SS**PPolyproline II helixtrans-101145.1162.2-108-84.5000109.4P356 D360P356-H358 PolarHBondContact O-N 2.85Å; H358-D360 PolarHBondContact O-N 3.09Å
359P52.3Low49.8Very low108 Ų108127.2 Ų127.270%0.70179%0.785SS**SBendtrans-10055.6-156.840.1-35.6000113.6
360D46.3Very low50Low155 Ų155127.3 Ų127.383%0.82979%0.786SS**  trans-155.529.9177.3-88.2-42.9000116.2H358H358-D360 PolarHBondContact O-N 3.09Å
361F42Very low49.9Very low208 Ų208127 Ų12791%0.91278%0.784SS**  trans-134.7108169.9-112.7-96.1000111.4A363F361-A363 PolarHBondContact O-N 3.24Å
362A48.2Very low49.3Very low101 Ų101126.4 Ų126.484%0.83579%0.786SS**PPolyproline II helixtrans-73.6121172.400000110.1
363A49.5Very low48.9Very low89 Ų89126 Ų12674%0.73678%0.781SS**PPolyproline II helixtrans-73.7144.8174.400000111.2F361F361-A363 PolarHBondContact O-N 3.24Å
364P56.1Low48.9Very low117 Ų117129 Ų12976%0.7679%0.792SS**PPolyproline II helixtrans-70.1151.617729.3-33.2000111.6
365P59.8Low48.7Very low119 Ų119132.3 Ų132.377%0.77379%0.786SS**PPolyproline II helixtrans-67.7149.8-177.627.7-34000112.3
366P56.7Low48.4Very low118 Ų118129.6 Ų129.677%0.76679%0.786SS**PPolyproline II helixtrans-68.6152.6179.528.4-34.3000112.3
367P58.2Low48.1Very low118 Ų118131 Ų13177%0.76679%0.793SS**PPolyproline II helixtrans-69.1152.517828.4-33.8000112.4
368P60.6Low48Very low118 Ų118132.2 Ų132.277%0.76679%0.791SS**PPolyproline II helixtrans-69.3152.3-179.328.4-34.3000112.6
369P56.3Low48.9Very low120 Ų120128.9 Ų128.978%0.77979%0.785SS**PPolyproline II helixtrans-68.8150.7177.928.5-33.8000112.1
370P55.4Low49Very low117 Ų117129.3 Ų129.376%0.7679%0.788SS**PPolyproline II helixtrans-68.9151.4178.428.5-33.8000112.2
371P47.6Very low49.2Very low121 Ų121127.3 Ų127.379%0.78678%0.784SS**PPolyproline II helixtrans-67.5138.5-178.926.7-32.7000111.8T373P371-T373 PolarHBondContact O-N 3.21Å
372A38.7Very low49.5Very low101 Ų101123.6 Ų123.684%0.83578%0.78SS**PPolyproline II helixtrans-66.5118.2174.300000110.2
373T41.1Very low49.2Very low110 Ų110126.9 Ų126.968%0.67578%0.783SS**PPolyproline II helixtrans-81.1117.816638.20000109.8P371 Y375P371-T373 PolarHBondContact O-N 3.21Å; T373-Y375 PolarHBondContact O-N 3.14Å
374D42.1Very low48.9Very low164 Ų164128.2 Ų128.288%0.87779%0.787SS**PPolyproline II helixtrans-56.8121.9167.5-80.7-57.8000111.2
375Y38.5Very low48.1Very low198 Ų198131.7 Ų131.778%0.77679%0.793SS**  trans-114.6132.4162.2-82-86.4000109T373 T377T373-Y375 PolarHBondContact O-N 3.14Å; Y375-T377 PolarHBondContact O-N 3.22Å
376P40.6Very low47.2Very low119 Ų119131.9 Ų131.977%0.77379%0.794SS**PPolyproline II helixtrans-68.9122.817725.7-30.9000111.1L378P376-L378 PolarHBondContact O-N 3.04Å
377T37Very low46.5Very low139 Ų139132.8 Ų132.885%0.85380%0.798SS**PPolyproline II helixtrans-57.4116172-51.70000111.1Y375Y375-T377 PolarHBondContact O-N 3.22Å
378L43.5Very low45.6Very low158 Ų158131.2 Ų131.283%0.82780%0.803SS**PPolyproline II helixtrans-79.3139.5163.1-75.5167.7000109.7P376P376-L378 PolarHBondContact O-N 3.04Å
379P56.8Low44.7Very low109 Ų109129.1 Ų129.171%0.70880%0.803SS**PPolyproline II helixtrans-74.7150.4178.730.6-32.4000111.4
380P53.2Low44.5Very low116 Ų116128 Ų12875%0.75380%0.804SS**PPolyproline II helixtrans-70.1154.1177.529.2-33.5000112
381P50.5Low44.6Very low114 Ų114128 Ų12874%0.7480%0.803SS**PPolyproline II helixtrans-70.2151.2178.229.8-33.7000111.8L383P381-L383 PolarHBondContact O-N 3.42Å
382P48.4Very low45.4Very low129 Ų129127.6 Ų127.684%0.83880%0.801SS**PPolyproline II helixtrans-71.7125.3-17828.2-32.4000111.4
383L43.3Very low47Very low170 Ų170128.2 Ų128.289%0.8980%0.797SS**PPolyproline II helixtrans-77.7127.6167.7-81.8158.5000109.8P381 Q385P381-L383 PolarHBondContact O-N 3.42Å; L383-Q385 PolarHBondContact O-N 3.3Å
384S41.8Very low48.3Very low118 Ų118128.4 Ų128.483%0.82580%0.8SS**PPolyproline II helixtrans-57.7126.8174.6-49.50000111.9
385Q40.1Very low49.7Very low189 Ų189126.1 Ų126.188%0.88379%0.794SS**PPolyproline II helixtrans-72.2136.8168.6-71.3176.2-4700111L383L383-Q385 PolarHBondContact O-N 3.3Å
386P41.6Very low51.3Low123 Ų123122 Ų12280%0.79979%0.792SS**PPolyproline II helixtrans-91.1130.7143.79.69.1000108.9
387T40.3Very low52.8Low138 Ų138121.8 Ų121.885%0.84779%0.79SS**PPolyproline II helixtrans-55.8129.7173.846.70000113
388G41.1Very low54.3Low84 Ų84120.7 Ų120.787%0.86679%0.785SS**  trans53.8106.813400000119.9
389G40.7Very low55.7Low75 Ų75118.5 Ų118.577%0.77378%0.781SS**  trans161.3104.6156.300000112.1
390A52.3Low56.2Low96 Ų96119.4 Ų119.479%0.79379%0.786SS**PPolyproline II helixtrans-63.2137.1168.100000109.5
391P57.1Low56.7Low116 Ų116116.8 Ų116.875%0.75378%0.78SS**PPolyproline II helixtrans-64.1142.1171.126.8-32000109.6
392P65.3Low57.5Low114 Ų114117.1 Ų117.174%0.7478%0.783SS**PPolyproline II helixtrans-61.5148.3177.126.2-33.3000110.6
393P71.2Confident58.3Low114 Ų114116.5 Ų116.574%0.7478%0.778SS**PPolyproline II helixtrans-60.1148.917626.2-33.9000110.7
394P69.6Low58.8Low114 Ų114114 Ų11474%0.7477%0.772SS**PPolyproline II helixtrans-59.3147.4174.126-33.7000110.5
395P70.4Confident59.6Low115 Ų115113.6 Ų113.675%0.74777%0.767SS**PPolyproline II helixtrans-60.5146.3176.325.8-33.2000110.5
396P72.6Confident59.9Low113 Ų113109.9 Ų109.973%0.73476%0.759SS**PPolyproline II helixtrans-60.9148.2175.326.1-33.2000110.4
397P71.1Confident59.7Low114 Ų114114.4 Ų114.474%0.7477%0.767SS**PPolyproline II helixtrans-59.4145.4174.525.6-33.2000110.3
398P69.1Low59.5Low116 Ų116113.8 Ų113.875%0.75376%0.763SS**PPolyproline II helixtrans-59.8146.417525.6-33000110.1
399P72.4Confident59.2Low112 Ų112113.4 Ų113.473%0.72776%0.759SS**PPolyproline II helixtrans-59.3149.2177.124.8-32.8000110.5G401P399-G401 PolarHBondContact O-N 3.15Å
400P67.8Low58.8Low128 Ų128114.6 Ų114.683%0.83176%0.761SS**PPolyproline II helixtrans-53.4128.3174-21.130.7000110
401G64.2Low57.9Low61 Ų61118.4 Ų118.463%0.62977%0.768SS**PPolyproline II helixtrans-59.3152173.200000111P399P399-G401 PolarHBondContact O-N 3.15Å
402P67.9Low56.8Low121 Ų121116 Ų11679%0.78677%0.765SS**PPolyproline II helixtrans-58.9146.4177.625-32.8000110.5
403P63.3Low55.3Low115 Ų115119.7 Ų119.775%0.74777%0.772SS**PPolyproline II helixtrans-60.9148.8178.226-33.5000110.4
404P55.7Low53.8Low117 Ų117119.8 Ų119.876%0.7677%0.773SS**PPolyproline II helixtrans-60.8141.317625.7-33000110
405P58Low51.9Low111 Ų111119.2 Ų119.272%0.72178%0.778SS**PPolyproline II helixtrans-64.6146.2176.326.8-32.5000110.2F407P405-F407 PolarHBondContact O-N 3.15Å
406P46.8Very low50.3Low110 Ų110120.1 Ų120.171%0.71478%0.781SS**PPolyproline II helixtrans-65.5127.1176.926.1-31.3000109.9T408P406-T408 VanDerWaalsContact C-N 3.3Å; P406-T408 PolarHBondContact O-N 2.91Å
407F36.1Very low48.8Very low219 Ų219120.1 Ų120.196%0.96178%0.781SS**  trans-69.489.7165.8-96.8-89.1000108.8P405P405-F407 PolarHBondContact O-N 3.15Å
408T35.9Very low47.4Very low124 Ų124120.3 Ų120.376%0.76178%0.782SS**  trans-91.7104.7162.4510000108.2P406P406-T408 VanDerWaalsContact C-N 3.3Å; P406-T408 PolarHBondContact O-N 2.91Å
409G35.3Very low46.6Very low77 Ų77120 Ų12079%0.79478%0.78SS**  trans-72129.8162.100000109.8
410A33.4Very low44.6Very low99 Ų99122.6 Ų122.682%0.81879%0.787SS**  trans175.289.6149.300000108.3
411D33.1Very low42.9Very low176 Ų176121.3 Ų121.394%0.94178%0.781SS**  trans-77.7123.7164.8-98.6-50.1000110
412G32.9Very low41.3Very low66 Ų66125.4 Ų125.468%0.6879%0.789SS**  83.483126.200000118
413Q35.2Very low39.5Very low192 Ų192125.6 Ų125.690%0.89779%0.788SS**PPolyproline II helixtrans-94.1125.2149.1-144.7-167-57.400108.6
414P39.4Very low38.2Very low115 Ų115126.8 Ų126.875%0.74779%0.793SS**PPolyproline II helixtrans-95.9145.1165.9-0.820.4000111.9
415A29Very low37.2Very low102 Ų102130.9 Ų130.984%0.84380%0.799SS**PPolyproline II helixtrans-74151.6174.600000113.2
416V36.6Very low36.3Very low134 Ų134131.5 Ų131.581%0.81280%0.803SS**PPolyproline II helixtrans-82.8145.4172.4178.70000108.6
417P41.2Very low35.7Very low114 Ų114136.2 Ų136.274%0.7481%0.812SS**  -154.5-16569.639.7-15.6000114.8
418P41.4Very low35.6Very low118 Ų118131.8 Ų131.877%0.76681%0.809SS**  cis-126.1-172.2-9.220.57000114.1
419P52.5Low35.6Very low109 Ų109131.1 Ų131.171%0.70881%0.809SS**  trans-106.3-174.9-162.140.4-31.4000116.3
420L30.4Very low35.7Very low166 Ų166135.7 Ų135.787%0.86981%0.814SS**  trans98.7134.1173.1-54.4165.4000112.9
421S32.9Very low36.1Very low102 Ų102136.2 Ų136.271%0.71381%0.809SS**  cis-171.815118.333.20000110.8
422D29.3Very low36.4Very low147 Ų147132.8 Ų132.879%0.78681%0.805SS**  trans54.3115.2142.5-76.4-29.2000123.6
423T31.6Very low36.9Very low124 Ų124136.3 Ų136.376%0.76181%0.813SS**  150133.2106.447.50000116.1
424T34.5Very low37.7Very low141 Ų141132.3 Ų132.387%0.86581%0.806SS**  trans81.4111.615259.10000122
425K35.9Very low38.8Very low202 Ų202132 Ų13288%0.87880%0.799SS**  trans-67.2163.2159.8-84.6177.3-176.9174.10111
426P38.1Very low40.7Very low124 Ų124130.9 Ų130.981%0.80579%0.79SS**  cis-151.5167.749.838-14.4000120.7
427K35.8Very low42Very low210 Ų210133.2 Ų133.291%0.91378%0.784SS**  trans-7.9131.5163.7-68.9172.6173.7172.70119.8
428S33.1Very low43.5Very low126 Ų126131.5 Ų131.588%0.88177%0.774SS**  -160.5144123.666.20000111.5
429S37.1Very low45Very low110 Ų110131.5 Ų131.577%0.76977%0.768SS**  trans-97.9130.4-177.9500000110.7
430L37.2Very low46Very low172 Ų172131.4 Ų131.490%0.90176%0.761SS**  trans-167153.9148.7-91.9-173.6000109.4
431P40.5Very low48.2Very low111 Ų111127.3 Ų127.372%0.72174%0.74SS**  trans-78145-160.232-33.7000112.9V433P431-V433 PolarHBondContact O-N 3.19Å
432A39.6Very low50.1Low103 Ų103124.3 Ų124.385%0.85172%0.718SS**  trans-66.4119.1174.700000110S434A432-S434 PolarHBondContact O-N 2.73Å; A432-S434 VanDerWaalsContact O-N 3.16Å
433V43.7Very low52.1Low140 Ų140119.9 Ų119.985%0.84870%0.702SS**  trans-59.6112.1170-156.10000106.9P431 D435P431-V433 PolarHBondContact O-N 3.19Å; V433-D435 PolarHBondContact O-N 3.28Å; V433-D435 VanDerWaalsContact O-N 3.09Å
434S52.6Low54.1Low108 Ų108119.3 Ų119.376%0.75569%0.694SS**  trans-62.9112.3172.249.30000108A432 A436A432-S434 PolarHBondContact O-N 2.73Å; A432-S434 VanDerWaalsContact O-N 3.16Å; S434-A436 PolarHBondContact O-N 3.23Å
435D61.1Low56Low109 Ų109122.8 Ų122.858%0.58369%0.691SS**  trans-58.5117-176.6-165.6-8.3000109.3V433 R437 S438 D439V433-D435 PolarHBondContact O-N 3.28Å; V433-D435 VanDerWaalsContact O-N 3.09Å; D435-R437 PolarHBondContact O-N 3.34Å; D435-S438 WeakPolarHBondContact O-CA 3.46Å; D435-S438 WeakPolarHBondContact O-CB 3.3Å; D435-S438 PolarHBondContact O-N 3.14Å; D435-D439 PolarHBondContact O-N 2.85Å
436A69.2Low57.8Low79 Ų79120.7 Ų120.765%0.65368%0.684SS**Hα-helixtrans-53.7-23.7-178.100000112.4S434 L440S434-A436 PolarHBondContact O-N 3.23Å; A436-L440 WeakPolarHBondContact O-CB 3.35Å; A436-L440 PolarHBondContact O-N 3.19Å
437R63.7Low59.1Low183 Ų183116.8 Ų116.869%0.69167%0.666SS**Hα-helixtrans-67.2-38.5173.4-169.9177.7-178.1177.51.1113.1D435 D439 L441D435-R437 PolarHBondContact O-N 3.34Å; R437-D439 VanDerWaalsContact C-N 3.34Å; R437-L441 HydrophobicContact CG-CD1 4.34Å; R437-L441 WeakPolarHBondContact O-CB 3.05Å; R437-L441 WeakPolarHBondContact O-CG 3.33Å; R437-L441 PolarHBondContact O-N 2.89Å
438S73.8Confident60.6Low78 Ų78115.9 Ų115.955%0.54566%0.663SS.*Hα-helixtrans-66.6-40.9176.3-174.90000110.7D435 L441 S442D435-S438 WeakPolarHBondContact O-CA 3.46Å; D435-S438 WeakPolarHBondContact O-CB 3.3Å; D435-S438 PolarHBondContact O-N 3.14Å; S438-L441 PolarHBondContact O-N 3.49Å; S438-S442 PolarHBondContact O-N 2.9Å; S438-S442 PolarHBondContact O-OG 2.88Å
439D72.5Confident61.6Low118 Ų118118.2 Ų118.263%0.63166%0.66SS**Hα-helixtrans-68.3-40.2-179-157.530.8000111.8D435 R437 L441 S442 A443D435-D439 PolarHBondContact O-N 2.85Å; R437-D439 VanDerWaalsContact C-N 3.34Å; D439-L441 PolarHBondContact O-N 3.32Å; D439-S442 VanDerWaalsContact CA-OG 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.47Å; D439-S442 PolarHBondContact O-N 3.35Å; D439-S442 PolarHBondContact O-OG 3.4Å; D439-A443 WeakPolarHBondContact O-CB 3.34Å; D439-A443 PolarHBondContact O-N 2.88Å
440L72.8Confident62.4Low107 Ų107120.3 Ų120.356%0.5666%0.661SS**Hα-helixtrans-60.9-43171.1179.863.3000111.9A436 S442 A443 I444A436-L440 WeakPolarHBondContact O-CB 3.35Å; A436-L440 PolarHBondContact O-N 3.19Å; L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 3.22Å; L440-A443 PolarHBondContact O-N 3.35Å; L440-I444 HydrophobicContact CD1-CD1 4.2Å; L440-I444 HydrophobicContact CD1-CG1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.93Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.35Å; L440-I444 PolarHBondContact O-N 2.85Å
441L76.9Confident63.5Low80 Ų80123.2 Ų123.242%0.41966%0.661SS.*Hα-helixtrans-68.7-32.5178.9-72.5171.1000112.2R437 S438 D439 I444 R445R437-L441 HydrophobicContact CG-CD1 4.34Å; R437-L441 WeakPolarHBondContact O-CB 3.05Å; R437-L441 WeakPolarHBondContact O-CG 3.33Å; R437-L441 PolarHBondContact O-N 2.89Å; S438-L441 PolarHBondContact O-N 3.49Å; D439-L441 PolarHBondContact O-N 3.32Å; L441-I444 HydrophobicContact CD2-CD1 4.48Å; L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CG 3.49Å; L441-R445 PolarHBondContact O-N 3.42Å; L441-R445 VanDerWaalsContact O-N 3.14Å
442S73.3Confident64.4Low38 Ų38130 Ų13027%0.26667%0.672SS.*Hα-helixtrans-69.2-39.3169.334.60000112.6S438 D439 L440 R445 Q446S438-S442 PolarHBondContact O-N 2.9Å; S438-S442 PolarHBondContact O-OG 2.88Å; D439-S442 VanDerWaalsContact CA-OG 3.26Å; D439-S442 WeakPolarHBondContact CA-OG 3.47Å; D439-S442 PolarHBondContact O-N 3.35Å; D439-S442 PolarHBondContact O-OG 3.4Å; L440-S442 VanDerWaalsContact C-N 3.34Å; L440-S442 PolarHBondContact O-N 3.22Å; S442-R445 PolarHBondContact O-N 2.83Å; S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.3Å; S442-Q446 PolarHBondContact O-N 3.27Å
443A72.5Confident64.6Low55 Ų55131.4 Ų131.446%0.45567%0.67SS.*Hα-helixtrans-65.1-38.9176.500000112.4D439 L440 R445 Q446 G447D439-A443 WeakPolarHBondContact O-CB 3.34Å; D439-A443 PolarHBondContact O-N 2.88Å; L440-A443 PolarHBondContact O-N 3.35Å; A443-R445 VanDerWaalsContact C-N 3.35Å; A443-Q446 PolarHBondContact O-N 2.88Å; A443-G447 PolarHBondContact O-N 2.91Å; A443-G447 VanDerWaalsContact O-N 3.15Å
444I71.8Confident64.7Low112 Ų112133.3 Ų133.357%0.57467%0.669SS**Hα-helixtrans-64.6-40.3173.5-68.2164.8000110.8L440 L441L440-I444 HydrophobicContact CD1-CD1 4.2Å; L440-I444 HydrophobicContact CD1-CG1 4.41Å; L440-I444 HydrophobicContact CG-CD1 3.93Å; L440-I444 VanDerWaalsContact O-CG1 3.24Å; L440-I444 WeakPolarHBondContact O-CG1 3.35Å; L440-I444 PolarHBondContact O-N 2.85Å; L441-I444 HydrophobicContact CD2-CD1 4.48Å
445R74.6Confident64.3Low213 Ų213135 Ų13580%0.80467%0.665SS**Hα-helixtrans-70.5-33178.6-73.4168.9-171.5-99.32.8113.1L441 S442 A443L441-R445 WeakPolarHBondContact O-CB 3.49Å; L441-R445 WeakPolarHBondContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CG 3.49Å; L441-R445 PolarHBondContact O-N 3.42Å; L441-R445 VanDerWaalsContact O-N 3.14Å; S442-R445 PolarHBondContact O-N 2.83Å; A443-R445 VanDerWaalsContact C-N 3.35Å
446Q75.1Confident63.2Low159 Ų159138.5 Ų138.574%0.74368%0.678SS**Hα-helixtrans-75.1-28.2178.1-74.8174.418.700112.3S442 A443S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.3Å; S442-Q446 PolarHBondContact O-N 3.27Å; A443-Q446 PolarHBondContact O-N 2.88Å
447G64.3Low62Low42 Ų42141.3 Ų141.343%0.43367%0.672SS.*  trans72.1146.3-17900000112.3A443A443-G447 PolarHBondContact O-N 2.91Å; A443-G447 VanDerWaalsContact O-N 3.15Å
448F66.6Low60.9Low191 Ų191141.5 Ų141.584%0.83868%0.68SS**  trans-101.4117.8178.5-138.8-89.8000109.5L450F448-L450 PolarHBondContact O-N 3.16Å
449Q55.5Low59.3Low175 Ų175144.8 Ų144.882%0.81869%0.687SS**  trans-71100.1166.2-97.574.44000109.1R451Q449-R451 PolarHBondContact O-N 2.83Å
450L53.1Low57.6Low153 Ų153145.3 Ų145.380%0.80169%0.686SS**  trans-65.1129.7168.9-65.7168.7000109F448 R452F448-L450 PolarHBondContact O-N 3.16Å; L450-R452 PolarHBondContact O-N 2.7Å
451R60.3Low56Low234 Ų234148.9 Ų148.988%0.88370%0.697SS**  trans-58.8135.5167.1-87.7-171.9-136.3126.23.9108.4Q449 V453Q449-R451 PolarHBondContact O-N 2.83Å; R451-V453 PolarHBondContact O-N 2.89Å
452R59.2Low54.3Low252 Ų252153.4 Ų153.495%0.95171%0.708SS**  trans-54.3112.3167.4-92.9-176178.4145.2-0.4108.2L450 E454L450-R452 PolarHBondContact O-N 2.7Å; R452-E454 PolarHBondContact O-N 3.36Å
453V44.7Very low53Low134 Ų134159 Ų15981%0.81274%0.735SS**  trans-70.8118.6165175.60000105.6R451 E455R451-V453 PolarHBondContact O-N 2.89Å; V453-E455 PolarHBondContact O-N 2.94Å; V453-E455 VanDerWaalsContact O-N 3.16Å
454E44.8Very low51.7Low180 Ų180160.5 Ų160.584%0.84174%0.738SS**  trans-62.1113165.4-168.4166.8-157.800106.4R452 Q456R452-E454 PolarHBondContact O-N 3.36Å; E454-Q456 VanDerWaalsContact C-N 3.29Å; E454-Q456 PolarHBondContact O-N 3.45Å
455E44.1Very low51Low143 Ų143160.4 Ų160.467%0.66874%0.743SS**  trans-60.995.3175.5-175.2-170.8163.400107.3V453 R457V453-E455 PolarHBondContact O-N 2.94Å; V453-E455 VanDerWaalsContact O-N 3.16Å; E455-R457 HydrophobicContact CG-CG 4.11Å; E455-R457 PolarHBondContact O-N 3.49Å; E455-R457 WeakPolarHBondContact OE1-CG 3.46Å; E455-R457 IonicContact OE1-NE 3.8Å; E455-R457 PolarHBondContact OE1-NE 2.89Å
456Q38.4Very low50.2Low183 Ų183151.3 Ų151.386%0.85572%0.715SS**  trans-68.583.3167.3-168.9173.247.800106.4E454 E458E454-Q456 VanDerWaalsContact C-N 3.29Å; E454-Q456 PolarHBondContact O-N 3.45Å; Q456-E458 VanDerWaalsContact C-N 3.3Å; Q456-E458 PolarHBondContact O-N 2.89Å
457R44Very low50.1Low138 Ų138147.5 Ų147.552%0.52170%0.7SS.*  trans-58.9101.1165.3-85-172.6175.1-173.8-2106.5E455 Q459E455-R457 HydrophobicContact CG-CG 4.11Å; E455-R457 PolarHBondContact O-N 3.49Å; E455-R457 WeakPolarHBondContact OE1-CG 3.46Å; E455-R457 IonicContact OE1-NE 3.8Å; E455-R457 PolarHBondContact OE1-NE 2.89Å; R457-Q459 VanDerWaalsContact C-N 3.31Å; R457-Q459 PolarHBondContact O-N 3.48Å
458E39.9Very low50.9Low186 Ų186149.8 Ų149.887%0.86970%0.702SS**  trans-52.3104161-118.5-179.2162.500106.5Q456 E460Q456-E458 VanDerWaalsContact C-N 3.3Å; Q456-E458 PolarHBondContact O-N 2.89Å; E458-E460 PolarHBondContact O-N 3.31Å
459Q40.2Very low51.6Low147 Ų147143 Ų14369%0.68768%0.676SS**  trans-71.883.8171.8-173.3159.336.200106.4R457 K461R457-Q459 VanDerWaalsContact C-N 3.31Å; R457-Q459 PolarHBondContact O-N 3.48Å; Q459-K461 HydrophobicContact CG-CG 4.24Å; Q459-K461 PolarHBondContact O-N 2.93Å
460E36.8Very low52.8Low129 Ų129135.6 Ų135.660%0.60365%0.645SS**  trans-63.689.3164-161.7-176.8-177.100106.4E458 R462E458-E460 PolarHBondContact O-N 3.31Å; E460-R462 HydrophobicContact CG-CB 4.32Å; E460-R462 HydrophobicContact CG-CG 4.32Å; E460-R462 PolarHBondContact O-N 3.28Å; E460-R462 WeakPolarHBondContact OE1-CD 3.24Å; E460-R462 IonicContact OE1-CZ 3.06Å; E460-R462 IonicContact OE1-NH1 2.84Å; E460-R462 PolarHBondContact OE1-NH1 3.37Å
461K40.8Very low54.3Low182 Ų182130.4 Ų130.479%0.79162%0.62SS**  trans-68.166.8158.2-77.6-170.2177-174.60108Q459Q459-K461 HydrophobicContact CG-CG 4.24Å; Q459-K461 PolarHBondContact O-N 2.93Å
462R40Very low55.3Low175 Ų175123.5 Ų123.566%0.6660%0.6SS**  trans-97115.7144.1-85.4-171.1167.2110.4-5.4105.4E460 V464E460-R462 HydrophobicContact CG-CB 4.32Å; E460-R462 HydrophobicContact CG-CG 4.32Å; E460-R462 PolarHBondContact O-N 3.28Å; E460-R462 WeakPolarHBondContact OE1-CD 3.24Å; E460-R462 IonicContact OE1-CZ 3.06Å; E460-R462 IonicContact OE1-NH1 2.84Å; E460-R462 PolarHBondContact OE1-NH1 3.37Å; R462-V464 HydrophobicContact CB-CG2 3.53Å; R462-V464 HydrophobicContact CG-CG2 4.47Å; R462-V464 PolarHBondContact O-N 3.22Å
463D46.8Very low56.4Low156 Ų156113.1 Ų113.183%0.83456%0.563SS**  trans-60.473.5146.8-74.3-59.4000106.8V465D463-V465 PolarHBondContact O-N 3.41Å
464V44.5Very low58.1Low86 Ų86109 Ų10952%0.52154%0.54SS..  trans-66.2100.2162.8179.10000103R462 G466R462-V464 HydrophobicContact CB-CG2 3.53Å; R462-V464 HydrophobicContact CG-CG2 4.47Å; R462-V464 PolarHBondContact O-N 3.22Å; V464-G466 PolarHBondContact O-N 2.68Å
465V57.8Low59.8Low111 Ų111107.2 Ų107.267%0.67353%0.526SS*.  trans-69.464.7164.6-176.80000106.6D463D463-V465 PolarHBondContact O-N 3.41Å
466G58.1Low61.6Low21 Ų21108.9 Ų108.922%0.21653%0.526CS..  trans-90.4130.6172.600000107.4V464 D468 T471V464-G466 PolarHBondContact O-N 2.68Å; G466-D468 PolarHBondContact O-N 2.99Å; G466-D468 VanDerWaalsContact O-N 3.07Å; G466-T471 WeakPolarHBondContact O-CB 3.46Å; G466-T471 WeakPolarHBondContact O-CG2 3.45Å
467N72.6Confident63.6Low79 Ų79100.8 Ų100.842%0.42249%0.488SS..  trans-78.227.3170.9-71.428.6000111.4Q106 I472Q106-N467 PolarHBondContact NE2-ND2 3.03Å; Q106-N467 PolarHBondContact OE1-ND2 3.18Å; N467-I472 WeakPolarHBondContact O-CD1 3.28Å
468D81.3Confident65Low90 Ų9096.5 Ų96.548%0.48148%0.482SS..  trans-74.3149.1176.7179.151.6000110.7G466 A470 T471 I472G466-D468 PolarHBondContact O-N 2.99Å; G466-D468 VanDerWaalsContact O-N 3.07Å; D468-A470 VanDerWaalsContact C-N 3.26Å; D468-A470 PolarHBondContact O-N 3.4Å; D468-A470 VanDerWaalsContact OD2-CB 3.32Å; D468-A470 WeakPolarHBondContact OD2-CB 3.24Å; D468-A470 PolarHBondContact OD2-N 3.38Å; D468-A470 VanDerWaalsContact OD2-N 3.14Å; D468-T471 PolarHBondContact O-N 3.47Å; D468-T471 VanDerWaalsContact O-N 3.12Å; D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.96Å
469V80.1Confident66.8Low48 Ų4892 Ų9229%0.29147%0.467SS..Hα-helixtrans-60.7-36.9-175.4-1770000110.8W160 I472 L473W160-V469 HydrophobicContact CH2-CB 3.65Å; W160-V469 HydrophobicContact CH2-CG1 3.54Å; W160-V469 HydrophobicContact CZ3-CB 4.24Å; W160-V469 HydrophobicContact CZ3-CG1 3.7Å; V469-I472 PolarHBondContact O-N 3.06Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 WeakPolarHBondContact O-CB 3.41Å; V469-L473 WeakPolarHBondContact O-CD1 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.23Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.15Å
470A81.9Confident68.1Low20 Ų2091.1 Ų91.117%0.16546%0.463CS..Hα-helixtrans-66.1-42176.800000112.2W160 M164 D468 L473 S474W160-A470 HydrophobicContact CZ2-CB 4.13Å; M164-A470 HydrophobicContact CG-CB 4.5Å; M164-A470 HydrophobicContact SD-CB 4.1Å; D468-A470 VanDerWaalsContact C-N 3.26Å; D468-A470 PolarHBondContact O-N 3.4Å; D468-A470 VanDerWaalsContact OD2-CB 3.32Å; D468-A470 WeakPolarHBondContact OD2-CB 3.24Å; D468-A470 PolarHBondContact OD2-N 3.38Å; D468-A470 VanDerWaalsContact OD2-N 3.14Å; A470-L473 PolarHBondContact O-N 3.44Å; A470-S474 WeakPolarHBondContact O-CB 3.4Å; A470-S474 PolarHBondContact O-N 3.14Å; A470-S474 PolarHBondContact O-OG 2.89Å
471T82.8Confident69.2Low44 Ų4489.2 Ų89.227%0.2745%0.451SS..Hα-helixtrans-66.5-39.1177.6-50.80000111.6G466 D468 S474 R475G466-T471 WeakPolarHBondContact O-CB 3.46Å; G466-T471 WeakPolarHBondContact O-CG2 3.45Å; D468-T471 PolarHBondContact O-N 3.47Å; D468-T471 VanDerWaalsContact O-N 3.12Å; T471-S474 PolarHBondContact O-N 3.16Å; T471-R475 WeakPolarHBondContact O-CB 3.18Å; T471-R475 PolarHBondContact O-N 3.43Å
472I82.6Confident70Confident90 Ų9085.3 Ų85.346%0.46245%0.447SS..Hα-helixtrans-65.3-47.2176.7-66.4165.3000110.6N467 D468 V469 S474 R475 R476N467-I472 WeakPolarHBondContact O-CD1 3.28Å; D468-I472 WeakPolarHBondContact O-CG1 3.49Å; D468-I472 PolarHBondContact O-N 2.96Å; V469-I472 PolarHBondContact O-N 3.06Å; I472-S474 VanDerWaalsContact C-N 3.35Å; I472-S474 PolarHBondContact O-N 3.48Å; I472-R475 PolarHBondContact O-N 3.24Å; I472-R476 WeakPolarHBondContact O-CB 3.36Å; I472-R476 PolarHBondContact O-N 3.3Å
473L81.4Confident70.3Confident34 Ų3484.1 Ų84.118%0.17845%0.454CS..Hα-helixtrans-58-48.3175.9-74.1162.5000110.9W160 M164 L165 V469 A470 R475 R476 I477W160-L473 HydrophobicContact CH2-CD1 4.26Å; W160-L473 HydrophobicContact CZ3-CD1 4.34Å; M164-L473 HydrophobicContact CB-CD1 4.33Å; L165-L473 HydrophobicContact CD1-CD2 3.63Å; V469-L473 HydrophobicContact CG1-CD1 3.95Å; V469-L473 HydrophobicContact CG1-CG 4.47Å; V469-L473 WeakPolarHBondContact O-CB 3.41Å; V469-L473 WeakPolarHBondContact O-CD1 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.23Å; V469-L473 WeakPolarHBondContact O-CG 3.45Å; V469-L473 PolarHBondContact O-N 3.15Å; A470-L473 PolarHBondContact O-N 3.44Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 2.9Å; L473-R476 PolarHBondContact O-N 2.96Å; L473-I477 WeakPolarHBondContact O-CG1 3.22Å; L473-I477 PolarHBondContact O-N 3.23Å; L473-I477 VanDerWaalsContact O-N 3.09Å
474S80.3Confident70.3Confident48 Ų4880.3 Ų80.334%0.33644%0.439SS..Hα-helixtrans-57.2-47177.7-59.80000112.1T168 A470 T471 I472 A478T168-S474 PolarHBondContact OG1-OG 2.89Å; A470-S474 WeakPolarHBondContact O-CB 3.4Å; A470-S474 PolarHBondContact O-N 3.14Å; A470-S474 PolarHBondContact O-OG 2.89Å; T471-S474 PolarHBondContact O-N 3.16Å; I472-S474 VanDerWaalsContact C-N 3.35Å; I472-S474 PolarHBondContact O-N 3.48Å; S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.5Å; S474-A478 VanDerWaalsContact O-N 3.08Å
475R82.1Confident70.5Confident141 Ų14182.1 Ų82.153%0.53244%0.442SS..Hα-helixtrans-64.6-44.4179.2-176-176.2-66-120.3-1.3112T471 I472 L473 A478 V479T471-R475 WeakPolarHBondContact O-CB 3.18Å; T471-R475 PolarHBondContact O-N 3.43Å; I472-R475 PolarHBondContact O-N 3.24Å; L473-R475 VanDerWaalsContact C-N 3.34Å; L473-R475 PolarHBondContact O-N 2.9Å; R475-A478 PolarHBondContact O-N 3.25Å; R475-V479 WeakPolarHBondContact O-CG2 3.5Å; R475-V479 PolarHBondContact O-N 3.04Å; R475-V479 VanDerWaalsContact O-N 3.13Å
476R81.6Confident69.7Low179 Ų17984.1 Ų84.168%0.67545%0.449SS*.Hα-helixtrans-65.3-44.9-176.7-173.465.3-178.9-1713.1111.7I472 L473 V479 E480I472-R476 WeakPolarHBondContact O-CB 3.36Å; I472-R476 PolarHBondContact O-N 3.3Å; L473-R476 PolarHBondContact O-N 2.96Å; R476-V479 PolarHBondContact O-N 3.48Å; R476-E480 PolarHBondContact O-N 2.79Å; R476-E480 VanDerWaalsContact O-N 3.09Å
477I79.8Confident69.1Low13 Ų1390.6 Ų90.67%0.06748%0.479CS..Hα-helixtrans-63.1-44.9176.6-66.1167.4000110.3L165 T168 L473 V479 E480 Y481L165-I477 HydrophobicContact CD1-CD1 3.54Å; L165-I477 HydrophobicContact CG-CD1 3.65Å; T168-I477 HydrophobicContact CG2-CB 3.95Å; T168-I477 HydrophobicContact CG2-CD1 3.85Å; T168-I477 HydrophobicContact CG2-CG2 3.91Å; L473-I477 WeakPolarHBondContact O-CG1 3.22Å; L473-I477 PolarHBondContact O-N 3.23Å; L473-I477 VanDerWaalsContact O-N 3.09Å; I477-V479 PolarHBondContact O-N 3.26Å; I477-E480 PolarHBondContact O-N 2.81Å; I477-Y481 HydrophobicContact CG2-CD2 3.71Å; I477-Y481 HydrophobicContact CG2-CE2 3.86Å; I477-Y481 WeakPolarHBondContact O-CD2 3.26Å; I477-Y481 PolarHBondContact O-N 2.99Å; I477-Y481 VanDerWaalsContact O-N 3.14Å
478A73.4Confident67.9Low47 Ų4792.1 Ų92.139%0.38850%0.495SS..Hα-helixtrans-59.5-35.617900000112.9S474 R475 S482S474-A478 WeakPolarHBondContact O-CB 3.45Å; S474-A478 PolarHBondContact O-N 3.5Å; S474-A478 VanDerWaalsContact O-N 3.08Å; R475-A478 PolarHBondContact O-N 3.25Å; A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.35Å; A478-S482 PolarHBondContact O-N 2.95Å; A478-S482 PolarHBondContact O-OG 3.33Å
479V76.9Confident66.3Low93 Ų9393.3 Ų93.356%0.56451%0.511SS*.Hα-helixtrans-70.9-46.9176.3172.30000111.3R475 R476 I477 Y481 S482R475-V479 WeakPolarHBondContact O-CG2 3.5Å; R475-V479 PolarHBondContact O-N 3.04Å; R475-V479 VanDerWaalsContact O-N 3.13Å; R476-V479 PolarHBondContact O-N 3.48Å; I477-V479 PolarHBondContact O-N 3.26Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.05Å; V479-S482 PolarHBondContact O-N 3.19Å
480E67.8Low64.6Low127 Ų127100 Ų10059%0.59354%0.539SS*.Hα-helixtrans-64.4-34.2-175.3-167.8168.9-172.400113.2R476 I477R476-E480 PolarHBondContact O-N 2.79Å; R476-E480 VanDerWaalsContact O-N 3.09Å; I477-E480 PolarHBondContact O-N 2.81Å
481Y59.7Low62.4Low90 Ų90108.2 Ų108.235%0.35357%0.571SS.*THydrogen-bonded Turntrans-91.3-5.4176.6-74-86.7000114.4M172 R176 I477 V479M172-Y481 HydrophobicContact CE-CD1 4.06Å; M172-Y481 HydrophobicContact CE-CD2 3.9Å; M172-Y481 HydrophobicContact CE-CG 3.62Å; M172-Y481 HydrophobicContact SD-CG 4.34Å; R176-Y481 PolarHBondContact NH2-O 3.43Å; R176-Y481 VanDerWaalsContact NH2-O 3.17Å; I477-Y481 HydrophobicContact CG2-CD2 3.71Å; I477-Y481 HydrophobicContact CG2-CE2 3.86Å; I477-Y481 WeakPolarHBondContact O-CD2 3.26Å; I477-Y481 PolarHBondContact O-N 2.99Å; I477-Y481 VanDerWaalsContact O-N 3.14Å; V479-Y481 VanDerWaalsContact C-N 3.33Å; V479-Y481 PolarHBondContact O-N 3.05Å
482S57.5Low60.6Low100 Ų100113 Ų11370%0.69960%0.595SS**THydrogen-bonded Turntrans-83.7-22.3174.1-106.20000112.7A478 V479A478-S482 VanDerWaalsContact O-CB 3.28Å; A478-S482 WeakPolarHBondContact O-CB 3.35Å; A478-S482 PolarHBondContact O-N 2.95Å; A478-S482 PolarHBondContact O-OG 3.33Å; V479-S482 PolarHBondContact O-N 3.19Å
483D47.4Very low58.9Low150 Ų150117 Ų11780%0.80261%0.612SS**SBendtrans-96.8-14-175-142.514.5000113
484S47.3Very low57.4Low76 Ų76121.8 Ų121.853%0.53164%0.638SS.*SBendtrans-100.86.7-170.269.30000116
485E47.7Very low55.8Low123 Ų123126.8 Ų126.858%0.57566%0.661SS**SBendtrans-137.620.3-174.2-67.2-169.713100115.3R176R176-E485 IonicContact CZ-OE2 3.27Å; R176-E485 IonicContact NH1-OE2 3.01Å; R176-E485 PolarHBondContact NH1-OE2 2.95Å; R176-E485 IonicContact NH2-OE2 2.91Å; R176-E485 PolarHBondContact NH2-OE2 3.09Å
486D42.3Very low54.3Low154 Ų154131 Ų13182%0.82468%0.677SS**SBendtrans-100.5-0.7171.2-151.739.9000113.6
487D44.4Very low52.4Low157 Ų157128.2 Ų128.284%0.8468%0.684SS**SBendtrans-118.728.8-173.3-160.628.5000113.6
488S47.3Very low50.7Low110 Ų110138.8 Ų138.877%0.76974%0.741SS**SBendtrans-140.726.9-177.9-50.90000115.1
489S47.6Very low49.5Very low116 Ų116143.4 Ų143.481%0.81176%0.759SS**SBendtrans-137.743.2173.173.30000113.7
490E44.5Very low48.1Very low188 Ų188146.1 Ų146.188%0.87977%0.769SS**  trans-138.772.2168.6-160.7173.9-159.500109.8
491F36.2Very low47Very low192 Ų192147.1 Ų147.184%0.84278%0.779SS**  trans-148.291.2145.4-134.8-94000106.9E493F491-E493 PolarHBondContact O-N 3.16Å
492D44.3Very low46.2Very low144 Ų144150.5 Ų150.577%0.7780%0.804SS**  trans-68.7111.8169.7-148.112.3000106.3D494D492-D494 VanDerWaalsContact C-N 3.31Å; D492-D494 PolarHBondContact O-N 3.26Å; D492-D494 VanDerWaalsContact O-N 3.12Å
493E47.3Very low45.5Very low175 Ų175153.6 Ų153.682%0.81881%0.811SS**  trans-81.878.5176.7-57.9-175.6-151.800108.7F491F491-E493 PolarHBondContact O-N 3.16Å
494D49.1Very low45.4Very low135 Ų135153.9 Ų153.972%0.72281%0.811SS**  trans-139.886169.8-92.3-48.8000109.6D492D492-D494 VanDerWaalsContact C-N 3.31Å; D492-D494 PolarHBondContact O-N 3.26Å; D492-D494 VanDerWaalsContact O-N 3.12Å
495D48.5Very low45.3Very low153 Ų153159.4 Ų159.482%0.81883%0.831SS**  trans-133.7102.2159.1-157.829.2000111.2
496W50.7Low45.1Very low229 Ų229162.2 Ų162.287%0.86785%0.851SS**  trans6120.1154.3-60.684.4000119
497S41.4Very low45.3Very low120 Ų120162.9 Ų162.984%0.83985%0.853SS**  trans-101.9126.8156.2-57.70000110.2
498D42.6Very low45.4Very low236 Ų236163.5 Ų163.5100%1.26285%0.854SS**  trans85.10170.4-144.737.6000118.9

Retrieved 498 of 498 residues in 101.9 ms (Link to these results)