A0A093HF40_STRCA Loading...

ER membrane protein complex subunit 2

Part of the endoplasmic reticulum membrane protein complex (EMC) that enables the energy-independent insertion into endoplasmic reticulum membranes of newly synthesized membrane proteins.

AlphaFold DB , UniProt , Accession A0A093HF40, Species STRCA (Struthio camelus australis), Gene n/a, Length 283 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
1M84.3Confident92Very high89 Ų8981.4 Ų81.444%0.43836%0.363SS..  0-56.80-68.8-169.7-84.400112.2D3 K4 M5 V22 E25 L26 Y30M1-D3 PolarHBondContact O-N 3.27Å; M1-K4 VanDerWaalsContact O-CB 3.27Å; M1-K4 WeakPolarHBondContact O-CB 3.38Å; M1-K4 PolarHBondContact O-N 3.21Å; M1-M5 PolarHBondContact O-N 3.29Å; M1-M5 VanDerWaalsContact O-N 3.14Å; M1-V22 HydrophobicContact CB-CG1 3.7Å; M1-V22 HydrophobicContact CG-CG1 3.82Å; M1-V22 HydrophobicContact SD-CG1 4.13Å; M1-E25 HydrophobicContact CE-CG 4.45Å; M1-E25 WeakPolarHBondContact CE-OE1 3.41Å; M1-E25 HydrophobicContact SD-CG 4.36Å; M1-L26 HydrophobicContact CB-CD1 3.92Å; M1-L26 HydrophobicContact CB-CD2 3.74Å; M1-L26 HydrophobicContact CB-CG 3.86Å; M1-L26 HydrophobicContact SD-CG 4.49Å; M1-Y30 HydrophobicContact CE-CD2 4.12Å; M1-Y30 HydrophobicContact CE-CE2 3.67Å
2R90.7Very high91.4Very high91 Ų9186.5 Ų86.534%0.34340%0.396SS..Hα-helixtrans-50.7-49.6177-176.7-177.3175.3-177.6-1.3114.3K4 M5 R6 L34 D37R2-K4 PolarHBondContact O-N 3.24Å; R2-M5 WeakPolarHBondContact O-CB 3.42Å; R2-M5 PolarHBondContact O-N 3.47Å; R2-R6 PolarHBondContact O-N 3.15Å; R2-L34 HydrophobicContact CB-CD2 4.18Å; R2-L34 HydrophobicContact CG-CD2 4.04Å; R2-D37 IonicContact CZ-OD2 2.61Å; R2-D37 IonicContact NE-OD2 3.23Å; R2-D37 PolarHBondContact NE-OD2 3.37Å; R2-D37 IonicContact NH2-OD1 2.73Å; R2-D37 PolarHBondContact NH2-OD1 3.29Å; R2-D37 VanDerWaalsContact NH2-OD1 3.1Å; R2-D37 IonicContact NH2-OD2 3.3Å; R2-D37 PolarHBondContact NH2-OD2 2.97Å
3D92.7Very high91Very high117 Ų11787.8 Ų87.863%0.62640%0.397SS*.Hα-helixtrans-66-28.6-180-56.5-38.6000112.8M1 R6 K7M1-D3 PolarHBondContact O-N 3.27Å; D3-R6 PolarHBondContact O-N 3.09Å; D3-K7 WeakPolarHBondContact O-CB 3.49Å; D3-K7 PolarHBondContact O-N 2.84Å
4K93.3Very high90.3Very high93 Ų9395.9 Ų95.940%0.40442%0.423SS..Hα-helixtrans-67.3-45.3175.4-157.4-174.3-171.9-158.90110.6M1 R2 R6 K7 W8M1-K4 VanDerWaalsContact O-CB 3.27Å; M1-K4 WeakPolarHBondContact O-CB 3.38Å; M1-K4 PolarHBondContact O-N 3.21Å; R2-K4 PolarHBondContact O-N 3.24Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-R6 PolarHBondContact O-N 3.4Å; K4-K7 PolarHBondContact O-N 3.5Å; K4-W8 HydrophobicContact CD-CH2 3.49Å; K4-W8 VanDerWaalsContact CD-CH2 3.49Å; K4-W8 HydrophobicContact CD-CZ2 3.55Å; K4-W8 HydrophobicContact CD-CZ3 4.08Å; K4-W8 HydrophobicContact CG-CD2 4.15Å; K4-W8 HydrophobicContact CG-CE3 4.27Å; K4-W8 HydrophobicContact CG-CH2 3.92Å; K4-W8 HydrophobicContact CG-CZ2 3.77Å; K4-W8 HydrophobicContact CG-CZ3 4.15Å; K4-W8 PolarHBondContact O-N 3.23Å
5M94.1Very high90.4Very high1 Ų193.5 Ų93.51%0.00542%0.416CS..Hα-helixtrans-59.8-44.2174.2-66.3-67.3-81.200111.5M1 R2 W8 R9 I19 V22 L26 I41 Q44 V45M1-M5 PolarHBondContact O-N 3.29Å; M1-M5 VanDerWaalsContact O-N 3.14Å; R2-M5 WeakPolarHBondContact O-CB 3.42Å; R2-M5 PolarHBondContact O-N 3.47Å; M5-W8 PolarHBondContact O-N 3.28Å; M5-W8 HydrophobicContact SD-CE3 3.75Å; M5-W8 HydrophobicContact SD-CZ3 3.79Å; M5-R9 WeakPolarHBondContact O-CB 3.14Å; M5-R9 PolarHBondContact O-N 2.72Å; M5-I19 HydrophobicContact CE-CG2 3.91Å; M5-I19 HydrophobicContact SD-CG2 4.24Å; M5-V22 HydrophobicContact CG-CG1 4.28Å; M5-V22 HydrophobicContact SD-CG1 4.37Å; M5-L26 HydrophobicContact CG-CD1 3.78Å; M5-I41 HydrophobicContact CE-CG2 4.13Å; M5-Q44 HydrophobicContact CE-CB 4.3Å; M5-Q44 HydrophobicContact CE-CG 3.99Å; M5-Q44 PolarHBondContact O-NE2 3.37Å; M5-Q44 PolarHBondContact O-OE1 2.86Å; M5-V45 HydrophobicContact CE-CG2 3.85Å
6R94Very high90.7Very high85 Ų8588.8 Ų88.832%0.32140%0.398SS..Hα-helixtrans-59.6-50.8175.3-177-179.3-60.5-154.6-3111.7R2 D3 K4 W8 R9 E10 D37R2-R6 PolarHBondContact O-N 3.15Å; D3-R6 PolarHBondContact O-N 3.09Å; K4-R6 VanDerWaalsContact C-N 3.33Å; K4-R6 PolarHBondContact O-N 3.4Å; R6-W8 VanDerWaalsContact C-N 3.32Å; R6-W8 PolarHBondContact O-N 2.71Å; R6-R9 WeakPolarHBondContact O-CB 3.43Å; R6-R9 PolarHBondContact O-N 2.93Å; R6-R9 VanDerWaalsContact O-N 3.12Å; R6-E10 WeakPolarHBondContact CD-OE1 3.33Å; R6-E10 HydrophobicContact CG-CG 4.34Å; R6-E10 WeakPolarHBondContact CG-OE1 3.25Å; R6-E10 WeakPolarHBondContact O-CG 3.17Å; R6-E10 PolarHBondContact O-N 2.95Å; R6-D37 IonicContact CZ-OD2 3.67Å; R6-D37 IonicContact NH2-OD1 3.81Å; R6-D37 IonicContact NH2-OD2 3.6Å; R6-D37 PolarHBondContact NH2-OD2 2.98Å
7K94Very high91Very high105 Ų10591.9 Ų91.946%0.45741%0.414SS..Hα-helixtrans-57-45.6177.1-171.9-176.3-178-176.40111.8D3 K4 R9 E10 E11D3-K7 WeakPolarHBondContact O-CB 3.49Å; D3-K7 PolarHBondContact O-N 2.84Å; K4-K7 PolarHBondContact O-N 3.5Å; K7-R9 VanDerWaalsContact C-N 3.27Å; K7-R9 PolarHBondContact O-N 3.28Å; K7-E10 PolarHBondContact O-N 3.25Å; K7-E11 WeakPolarHBondContact CE-OE1 3.47Å; K7-E11 HydrophobicContact CG-CG 4.49Å; K7-E11 VanDerWaalsContact CG-OE1 3.26Å; K7-E11 WeakPolarHBondContact CG-OE1 3.37Å; K7-E11 IonicContact NZ-OE1 3.83Å; K7-E11 WeakPolarHBondContact O-CB 3.33Å; K7-E11 PolarHBondContact O-N 3.06Å
8W94.1Very high91.3Very high15 Ų1591.6 Ų91.66%0.05741%0.413CS..Hα-helixtrans-60.2-36.9177.2-70.7-33000113.6K4 M5 R6 N12 Y13 Q18 I19 V22K4-W8 HydrophobicContact CD-CH2 3.49Å; K4-W8 VanDerWaalsContact CD-CH2 3.49Å; K4-W8 HydrophobicContact CD-CZ2 3.55Å; K4-W8 HydrophobicContact CD-CZ3 4.08Å; K4-W8 HydrophobicContact CG-CD2 4.15Å; K4-W8 HydrophobicContact CG-CE3 4.27Å; K4-W8 HydrophobicContact CG-CH2 3.92Å; K4-W8 HydrophobicContact CG-CZ2 3.77Å; K4-W8 HydrophobicContact CG-CZ3 4.15Å; K4-W8 PolarHBondContact O-N 3.23Å; M5-W8 PolarHBondContact O-N 3.28Å; M5-W8 HydrophobicContact SD-CE3 3.75Å; M5-W8 HydrophobicContact SD-CZ3 3.79Å; R6-W8 VanDerWaalsContact C-N 3.32Å; R6-W8 PolarHBondContact O-N 2.71Å; W8-N12 WeakPolarHBondContact O-CA 3.24Å; W8-N12 PolarHBondContact O-N 3.21Å; W8-N12 VanDerWaalsContact O-N 3.15Å; W8-Y13 AromaticContact CD1-CD2 3.65Å; W8-Y13 AromaticContact CD1-CG 3.97Å; W8-Y13 PolarHBondContact O-N 3.31Å; W8-Q18 HydrophobicContact CH2-CB 3.6Å; W8-Q18 HydrophobicContact CZ2-CB 3.9Å; W8-Q18 HydrophobicContact CZ3-CB 4.47Å; W8-I19 HydrophobicContact CB-CD1 4.45Å; W8-I19 HydrophobicContact CD2-CG1 4.09Å; W8-I19 HydrophobicContact CE3-CG1 3.55Å; W8-I19 HydrophobicContact CZ3-CG1 3.94Å; W8-V22 HydrophobicContact CH2-CG2 4.1Å; W8-V22 HydrophobicContact CZ3-CB 4.22Å; W8-V22 HydrophobicContact CZ3-CG2 4.3Å
9R92.3Very high91.6Very high65 Ų6587.4 Ų87.425%0.24539%0.394CS..Hα-helixtrans-73.5-42.8176.7178.2174.156.7-130.16.7112.8M5 R6 K7 N12 I40 Q44M5-R9 WeakPolarHBondContact O-CB 3.14Å; M5-R9 PolarHBondContact O-N 2.72Å; R6-R9 WeakPolarHBondContact O-CB 3.43Å; R6-R9 PolarHBondContact O-N 2.93Å; R6-R9 VanDerWaalsContact O-N 3.12Å; K7-R9 VanDerWaalsContact C-N 3.27Å; K7-R9 PolarHBondContact O-N 3.28Å; R9-N12 PolarHBondContact O-N 3.15Å; R9-N12 PolarHBondContact O-OD1 3.18Å; R9-I40 VanDerWaalsContact CD-CG2 3.42Å; R9-I40 VanDerWaalsContact CZ-CG2 3.43Å; R9-Q44 VanDerWaalsContact NH1-OE1 3.09Å
10E92.1Very high91.9Very high138 Ų13883.3 Ų83.365%0.64538%0.376SS*.Hα-helixtrans-70.4-36.1-178.8-73172.1-176.100112.2R6 K7R6-E10 WeakPolarHBondContact CD-OE1 3.33Å; R6-E10 HydrophobicContact CG-CG 4.34Å; R6-E10 WeakPolarHBondContact CG-OE1 3.25Å; R6-E10 WeakPolarHBondContact O-CG 3.17Å; R6-E10 PolarHBondContact O-N 2.95Å; K7-E10 PolarHBondContact O-N 3.25Å
11E91.1Very high92.1Very high96 Ų9683.7 Ų83.745%0.44938%0.382SS..THydrogen-bonded Turntrans-93.23.3179.1-65.3-178.9-141.900113K7 Y13K7-E11 WeakPolarHBondContact CE-OE1 3.47Å; K7-E11 HydrophobicContact CG-CG 4.49Å; K7-E11 VanDerWaalsContact CG-OE1 3.26Å; K7-E11 WeakPolarHBondContact CG-OE1 3.37Å; K7-E11 IonicContact NZ-OE1 3.83Å; K7-E11 WeakPolarHBondContact O-CB 3.33Å; K7-E11 PolarHBondContact O-N 3.06Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 HydrophobicContact CB-CD2 3.58Å; E11-Y13 HydrophobicContact CB-CE2 3.41Å; E11-Y13 VanDerWaalsContact CB-CE2 3.41Å; E11-Y13 HydrophobicContact CB-CG 4.5Å; E11-Y13 HydrophobicContact CG-CE2 4.04Å; E11-Y13 PolarHBondContact O-N 2.73Å; E11-Y13 WeakPolarHBondContact OE2-CE2 3.47Å; E11-Y13 PolarHBondContact OE2-OH 3.39Å
12N84.8Confident92.6Very high143 Ų14380.4 Ų80.477%0.76537%0.367SS*.THydrogen-bonded Turntrans50.839.8-177.5-69.9-44.9000114.1W8 R9 R14W8-N12 WeakPolarHBondContact O-CA 3.24Å; W8-N12 PolarHBondContact O-N 3.21Å; W8-N12 VanDerWaalsContact O-N 3.15Å; R9-N12 PolarHBondContact O-N 3.15Å; R9-N12 PolarHBondContact O-OD1 3.18Å; N12-R14 PolarHBondContact O-N 3.05Å
13Y85.4Confident92.9Very high104 Ų10476.1 Ų76.141%0.40835%0.35SS..  trans-69.5123.4177-76.6-69.1000111.2W8 E11 N15W8-Y13 AromaticContact CD1-CD2 3.65Å; W8-Y13 AromaticContact CD1-CG 3.97Å; W8-Y13 PolarHBondContact O-N 3.31Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 HydrophobicContact CB-CD2 3.58Å; E11-Y13 HydrophobicContact CB-CE2 3.41Å; E11-Y13 VanDerWaalsContact CB-CE2 3.41Å; E11-Y13 HydrophobicContact CB-CG 4.5Å; E11-Y13 HydrophobicContact CG-CE2 4.04Å; E11-Y13 PolarHBondContact O-N 2.73Å; E11-Y13 WeakPolarHBondContact OE2-CE2 3.47Å; E11-Y13 PolarHBondContact OE2-OH 3.39Å; Y13-N15 VanDerWaalsContact C-N 3.33Å; Y13-N15 PolarHBondContact O-N 2.74Å; Y13-N15 VanDerWaalsContact O-N 3.09Å
14R82Confident93.1Very high201 Ų20172.8 Ų72.876%0.75833%0.331SS*.  trans-85.671174.4-162.4174.7-174.1-176.40.1111.6N12 D51N12-R14 PolarHBondContact O-N 3.05Å; R14-D51 IonicContact NE-OD2 3.37Å; R14-D51 IonicContact NH2-OD1 3.18Å; R14-D51 IonicContact NH2-OD2 3.39Å
15N91.4Very high93.3Very high60 Ų6072 Ų7232%0.32133%0.329SS..  trans-113.257.1178-74.4-8.4000111.3Y13 E17 Q18 I19Y13-N15 VanDerWaalsContact C-N 3.33Å; Y13-N15 PolarHBondContact O-N 2.74Å; Y13-N15 VanDerWaalsContact O-N 3.09Å; N15-E17 VanDerWaalsContact C-N 3.34Å; N15-E17 PolarHBondContact O-N 3.45Å; N15-Q18 HydrophobicContact CB-CB 4.42Å; N15-Q18 PolarHBondContact O-N 2.8Å; N15-Q18 VanDerWaalsContact O-N 3.16Å; N15-I19 VanDerWaalsContact O-CG1 3.27Å; N15-I19 WeakPolarHBondContact O-CG1 3.27Å; N15-I19 PolarHBondContact O-N 3.49Å
16S95.4Very high93.4Very high18 Ų1872.3 Ų72.313%0.12633%0.33CS..Hα-helixtrans-56.8-41.4-167.1-50.40000113.6I19 V20 D51S16-I19 PolarHBondContact O-N 3.27Å; S16-V20 WeakPolarHBondContact O-CG2 3.25Å; S16-V20 PolarHBondContact O-N 3.43Å; S16-D51 PolarHBondContact OG-OD2 2.68Å
17E95.8Very high93.6Very high142 Ų14268.6 Ų68.666%0.66432%0.317SS*.Hα-helixtrans-59.5-50.8176.6-172.8177.8-157.800112.1N15 I19 V20 D21N15-E17 VanDerWaalsContact C-N 3.34Å; N15-E17 PolarHBondContact O-N 3.45Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.3Å; E17-V20 WeakPolarHBondContact O-CB 3.15Å; E17-V20 PolarHBondContact O-N 3.47Å; E17-D21 PolarHBondContact O-N 3.34Å
18Q95.9Very high93.6Very high86 Ų8668.8 Ų68.840%0.40232%0.323SS..Hα-helixtrans-69-29.8179.5-59.3-178.810.400112.9W8 N15 V22W8-Q18 HydrophobicContact CH2-CB 3.6Å; W8-Q18 HydrophobicContact CZ2-CB 3.9Å; W8-Q18 HydrophobicContact CZ3-CB 4.47Å; N15-Q18 HydrophobicContact CB-CB 4.42Å; N15-Q18 PolarHBondContact O-N 2.8Å; N15-Q18 VanDerWaalsContact O-N 3.16Å; Q18-V22 WeakPolarHBondContact O-CB 3.25Å; Q18-V22 WeakPolarHBondContact O-CG2 3.34Å; Q18-V22 PolarHBondContact O-N 2.96Å; Q18-V22 VanDerWaalsContact O-N 3.12Å
19I96.7Very high93.7Very high12 Ų1273.9 Ų73.96%0.06235%0.347CS..Hα-helixtrans-67.8-40.9174.7-71.3168.5000109.9M5 W8 N15 S16 E17 G23 Q44 A48M5-I19 HydrophobicContact CE-CG2 3.91Å; M5-I19 HydrophobicContact SD-CG2 4.24Å; W8-I19 HydrophobicContact CB-CD1 4.45Å; W8-I19 HydrophobicContact CD2-CG1 4.09Å; W8-I19 HydrophobicContact CE3-CG1 3.55Å; W8-I19 HydrophobicContact CZ3-CG1 3.94Å; N15-I19 VanDerWaalsContact O-CG1 3.27Å; N15-I19 WeakPolarHBondContact O-CG1 3.27Å; N15-I19 PolarHBondContact O-N 3.49Å; S16-I19 PolarHBondContact O-N 3.27Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.3Å; I19-G23 WeakPolarHBondContact O-CA 3.24Å; I19-G23 PolarHBondContact O-N 3.3Å; I19-Q44 HydrophobicContact CG2-CG 3.79Å; I19-A48 HydrophobicContact CB-CB 3.78Å; I19-A48 HydrophobicContact CG2-CB 3.42Å; I19-A48 VanDerWaalsContact CG2-CB 3.42Å
20V97.5Very high93.9Very high4 Ų474.3 Ų74.32%0.02435%0.35CS..Hα-helixtrans-62.5-54174.1166.50000109.9S16 E17 V22 G23 E24 A48 A49 C52 L57S16-V20 WeakPolarHBondContact O-CG2 3.25Å; S16-V20 PolarHBondContact O-N 3.43Å; E17-V20 WeakPolarHBondContact O-CB 3.15Å; E17-V20 PolarHBondContact O-N 3.47Å; V20-V22 PolarHBondContact O-N 3.09Å; V20-G23 PolarHBondContact O-N 3.34Å; V20-E24 WeakPolarHBondContact O-CB 3.45Å; V20-E24 PolarHBondContact O-N 3.09Å; V20-A48 HydrophobicContact CG2-CB 3.9Å; V20-A49 HydrophobicContact CG2-CB 4.17Å; V20-C52 HydrophobicContact CG2-CB 4.44Å; V20-L57 HydrophobicContact CG1-CD2 3.78Å
21D96.1Very high93.9Very high93 Ų9369.6 Ų69.650%0.49733%0.334SS..Hα-helixtrans-56.7-54.7-176.6-65.6-20.1000112.2E17 G23 E25E17-D21 PolarHBondContact O-N 3.34Å; D21-G23 VanDerWaalsContact C-N 3.35Å; D21-G23 PolarHBondContact O-N 3.4Å; D21-E25 PolarHBondContact O-N 2.9Å
22V96.4Very high94.1Very high20 Ų2070.4 Ų70.412%0.12135%0.35CS..Hα-helixtrans-70.1-35.9-177.1175.60000111.2M1 M5 W8 Q18 V20 L26M1-V22 HydrophobicContact CB-CG1 3.7Å; M1-V22 HydrophobicContact CG-CG1 3.82Å; M1-V22 HydrophobicContact SD-CG1 4.13Å; M5-V22 HydrophobicContact CG-CG1 4.28Å; M5-V22 HydrophobicContact SD-CG1 4.37Å; W8-V22 HydrophobicContact CH2-CG2 4.1Å; W8-V22 HydrophobicContact CZ3-CB 4.22Å; W8-V22 HydrophobicContact CZ3-CG2 4.3Å; Q18-V22 WeakPolarHBondContact O-CB 3.25Å; Q18-V22 WeakPolarHBondContact O-CG2 3.34Å; Q18-V22 PolarHBondContact O-N 2.96Å; Q18-V22 VanDerWaalsContact O-N 3.12Å; V20-V22 PolarHBondContact O-N 3.09Å; V22-L26 HydrophobicContact CG1-CD1 4.2Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 VanDerWaalsContact O-CG 3.22Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 3.04Å; V22-L26 VanDerWaalsContact O-N 3.09Å
23G96.6Very high94.5Very high0 Ų070.9 Ų70.90%035%0.345CS..Hα-helixtrans-75.6-38.6-17700000113.3I19 V20 D21 L26 I27 V45I19-G23 WeakPolarHBondContact O-CA 3.24Å; I19-G23 PolarHBondContact O-N 3.3Å; V20-G23 PolarHBondContact O-N 3.34Å; D21-G23 VanDerWaalsContact C-N 3.35Å; D21-G23 PolarHBondContact O-N 3.4Å; G23-L26 WeakPolarHBondContact O-CB 3.34Å; G23-L26 PolarHBondContact O-N 3.32Å; G23-I27 WeakPolarHBondContact O-CB 3.25Å; G23-I27 WeakPolarHBondContact O-CD1 3.46Å; G23-I27 VanDerWaalsContact O-CG1 3.24Å; G23-I27 WeakPolarHBondContact O-CG1 3.23Å; G23-I27 PolarHBondContact O-N 2.96Å; G23-V45 VanDerWaalsContact CA-CG2 3.47Å
24E96.9Very high94.9Very high47 Ų4766.2 Ų66.222%0.2233%0.328CS..Hα-helixtrans-63.7-44.8174.8-173.1166.3-154.600110.3V20 L26 I27 N28 R54 L57V20-E24 WeakPolarHBondContact O-CB 3.45Å; V20-E24 PolarHBondContact O-N 3.09Å; E24-L26 PolarHBondContact O-N 3.14Å; E24-I27 PolarHBondContact O-N 3.12Å; E24-N28 WeakPolarHBondContact O-CB 3.39Å; E24-N28 PolarHBondContact O-N 3.13Å; E24-N28 PolarHBondContact O-ND2 3.32Å; E24-R54 IonicContact OE1-NH2 3.79Å; E24-R54 PolarHBondContact OE1-NH2 3.22Å; E24-R54 VanDerWaalsContact OE1-NH2 3.09Å; E24-R54 IonicContact OE2-CZ 3.57Å; E24-R54 IonicContact OE2-NH1 3.27Å; E24-R54 PolarHBondContact OE2-NH1 3.24Å; E24-R54 IonicContact OE2-NH2 2.81Å; E24-R54 PolarHBondContact OE2-NH2 2.86Å; E24-L57 HydrophobicContact CB-CD2 4.15Å; E24-L57 HydrophobicContact CG-CD1 4.2Å; E24-L57 HydrophobicContact CG-CD2 4.25Å
25E96.8Very high95.5Very high77 Ų7758.9 Ų58.936%0.3632%0.315SS..Hα-helixtrans-59.3-46.1172.9-173-177.1161.100111.6M1 D21 I27 N28 E29 Y30M1-E25 HydrophobicContact CE-CG 4.45Å; M1-E25 WeakPolarHBondContact CE-OE1 3.41Å; M1-E25 HydrophobicContact SD-CG 4.36Å; D21-E25 PolarHBondContact O-N 2.9Å; E25-I27 VanDerWaalsContact C-N 3.34Å; E25-I27 PolarHBondContact O-N 3.12Å; E25-N28 PolarHBondContact O-N 3.08Å; E25-E29 WeakPolarHBondContact O-CB 3.29Å; E25-E29 PolarHBondContact O-N 2.93Å; E25-Y30 HydrophobicContact CG-CE2 4.37Å
26L96.7Very high95.4Very high7 Ų762.6 Ų62.64%0.03733%0.334CS..Hα-helixtrans-60-41.4177.5-84.7178.4000113.1M1 M5 V22 G23 E24 Y30 A31 L34 I41M1-L26 HydrophobicContact CB-CD1 3.92Å; M1-L26 HydrophobicContact CB-CD2 3.74Å; M1-L26 HydrophobicContact CB-CG 3.86Å; M1-L26 HydrophobicContact SD-CG 4.49Å; M5-L26 HydrophobicContact CG-CD1 3.78Å; V22-L26 HydrophobicContact CG1-CD1 4.2Å; V22-L26 WeakPolarHBondContact O-CB 3.48Å; V22-L26 VanDerWaalsContact O-CG 3.22Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 3.04Å; V22-L26 VanDerWaalsContact O-N 3.09Å; G23-L26 WeakPolarHBondContact O-CB 3.34Å; G23-L26 PolarHBondContact O-N 3.32Å; E24-L26 PolarHBondContact O-N 3.14Å; L26-Y30 HydrophobicContact CD2-CD2 4.23Å; L26-Y30 HydrophobicContact CD2-CG 4.43Å; L26-Y30 CarbonylContact O-C 3.6Å; L26-Y30 VanDerWaalsContact O-C 3.26Å; L26-Y30 WeakPolarHBondContact O-CA 3.22Å; L26-Y30 PolarHBondContact O-N 3.19Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; L26-A31 PolarHBondContact O-N 3.24Å; L26-A31 VanDerWaalsContact O-N 3.12Å; L26-L34 HydrophobicContact CB-CD1 4.17Å; L26-L34 HydrophobicContact CD2-CD2 4.23Å; L26-I41 HydrophobicContact CD1-CD1 4.33Å
27I96.9Very high95.3Very high8 Ų862.9 Ų62.94%0.04134%0.335CS..Hα-helixtrans-69.3-43.3179-72164.5000110.6G23 E24 E25 A31 I38 I41 Y42 V45 F60G23-I27 WeakPolarHBondContact O-CB 3.25Å; G23-I27 WeakPolarHBondContact O-CD1 3.46Å; G23-I27 VanDerWaalsContact O-CG1 3.24Å; G23-I27 WeakPolarHBondContact O-CG1 3.23Å; G23-I27 PolarHBondContact O-N 2.96Å; E24-I27 PolarHBondContact O-N 3.12Å; E25-I27 VanDerWaalsContact C-N 3.34Å; E25-I27 PolarHBondContact O-N 3.12Å; I27-A31 VanDerWaalsContact O-CB 3.27Å; I27-A31 WeakPolarHBondContact O-CB 3.32Å; I27-I38 HydrophobicContact CG1-CD1 4.4Å; I27-I41 HydrophobicContact CD1-CG2 4.3Å; I27-I41 HydrophobicContact CG1-CG2 4.08Å; I27-Y42 HydrophobicContact CD1-CD1 3.7Å; I27-Y42 HydrophobicContact CD1-CE1 3.83Å; I27-Y42 HydrophobicContact CD1-CG 4.4Å; I27-Y42 HydrophobicContact CG1-CD1 4.26Å; I27-Y42 HydrophobicContact CG1-CE1 4.08Å; I27-Y42 HydrophobicContact CG2-CE1 3.63Å; I27-V45 HydrophobicContact CD1-CB 4.05Å; I27-V45 HydrophobicContact CD1-CG1 4.12Å; I27-V45 HydrophobicContact CD1-CG2 3.9Å; I27-F60 HydrophobicContact CG2-CE1 3.89Å
28N95.9Very high95.4Very high108 Ų10856.9 Ų56.958%0.57831%0.307SS*.Hα-helixtrans-76.7-41.1-174.7-70.2-29.8000113E24 E25E24-N28 WeakPolarHBondContact O-CB 3.39Å; E24-N28 PolarHBondContact O-N 3.13Å; E24-N28 PolarHBondContact O-ND2 3.32Å; E25-N28 PolarHBondContact O-N 3.08Å
29E96.3Very high95.4Very high122 Ų12255.3 Ų55.357%0.5730%0.297SS*.Hα-helixtrans-104-25.8-170.6-62.5-172.9-172.500113.7E25E25-E29 WeakPolarHBondContact O-CB 3.29Å; E25-E29 PolarHBondContact O-N 2.93Å
30Y95.6Very high95.4Very high75 Ų7557.6 Ų57.629%0.29431%0.309SS..Hα-helixtrans-125.69.2-168-57.4-79.3000114.4M1 E25 L26 S32 K33 L34M1-Y30 HydrophobicContact CE-CD2 4.12Å; M1-Y30 HydrophobicContact CE-CE2 3.67Å; E25-Y30 HydrophobicContact CG-CE2 4.37Å; L26-Y30 HydrophobicContact CD2-CD2 4.23Å; L26-Y30 HydrophobicContact CD2-CG 4.43Å; L26-Y30 CarbonylContact O-C 3.6Å; L26-Y30 VanDerWaalsContact O-C 3.26Å; L26-Y30 WeakPolarHBondContact O-CA 3.22Å; L26-Y30 PolarHBondContact O-N 3.19Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 3.17Å; Y30-S32 VanDerWaalsContact O-N 3.15Å; Y30-K33 HydrophobicContact CD1-CD 4.29Å; Y30-K33 PolarHBondContact O-N 2.98Å; Y30-L34 WeakPolarHBondContact O-CG 3.48Å; Y30-L34 PolarHBondContact O-N 3.35Å
31A93Very high95.3Very high39 Ų3957.5 Ų57.532%0.32231%0.309SS..Hα-helixtrans-48.8-45.4-177.500000114L26 I27 K33 L34 I38L26-A31 PolarHBondContact O-N 3.24Å; L26-A31 VanDerWaalsContact O-N 3.12Å; I27-A31 VanDerWaalsContact O-CB 3.27Å; I27-A31 WeakPolarHBondContact O-CB 3.32Å; A31-K33 PolarHBondContact O-N 2.98Å; A31-L34 PolarHBondContact O-N 3.5Å; A31-I38 HydrophobicContact CB-CD1 4.14Å
32S93.4Very high95.4Very high113 Ų11354 Ų5479%0.7929%0.288SS*.Hα-helixtrans-64.9-21.3-179.360.20000114.2Y30Y30-S32 VanDerWaalsContact C-N 3.28Å; Y30-S32 PolarHBondContact O-N 3.17Å; Y30-S32 VanDerWaalsContact O-N 3.15Å
33K94.8Very high95.4Very high152 Ų15253.7 Ų53.766%0.66129%0.286SS*.Hα-helixtrans-94.8-8.1-179.4-59-175.5-171.9170.20113.4Y30 A31Y30-K33 HydrophobicContact CD1-CD 4.29Å; Y30-K33 PolarHBondContact O-N 2.98Å; A31-K33 PolarHBondContact O-N 2.98Å
34L93Very high95.4Very high6 Ų654.7 Ų54.73%0.03129%0.29CS..Hα-helixtrans-82.5-20.5-174.9-72.3172.1000113.3R2 L26 Y30 A31 D37 I38 I41R2-L34 HydrophobicContact CB-CD2 4.18Å; R2-L34 HydrophobicContact CG-CD2 4.04Å; L26-L34 HydrophobicContact CB-CD1 4.17Å; L26-L34 HydrophobicContact CD2-CD2 4.23Å; Y30-L34 WeakPolarHBondContact O-CG 3.48Å; Y30-L34 PolarHBondContact O-N 3.35Å; A31-L34 PolarHBondContact O-N 3.5Å; L34-D37 PolarHBondContact O-N 3.29Å; L34-I38 HydrophobicContact CB-CB 4.02Å; L34-I38 HydrophobicContact CB-CD1 4.3Å; L34-I38 HydrophobicContact CD1-CD1 3.56Å; L34-I41 HydrophobicContact CD1-CD1 3.76Å; L34-I41 HydrophobicContact CD2-CD1 3.65Å; L34-I41 HydrophobicContact CG-CD1 4.21Å
35G93.7Very high95.5Very high47 Ų4752.5 Ų52.549%0.48528%0.28SS..THydrogen-bonded Turntrans56.1-138.5-17600000110.6D37 I38G35-D37 VanDerWaalsContact C-N 3.25Å; G35-D37 PolarHBondContact O-N 3.03Å; G35-I38 WeakPolarHBondContact O-CB 3.33Å; G35-I38 WeakPolarHBondContact O-CG2 3.48Å; G35-I38 PolarHBondContact O-N 3.05Å
36D90.4Very high95.5Very high138 Ų13848.8 Ų48.874%0.73826%0.263SS*.THydrogen-bonded Turntrans-68.5-20-177.5-65.1-25.1000114.3I38 W39D36-I38 PolarHBondContact O-N 3.26Å; D36-I38 VanDerWaalsContact O-N 3.15Å; D36-W39 PolarHBondContact O-N 3.04Å
37D93.6Very high95.5Very high25 Ų2551.2 Ų51.213%0.13428%0.275CS..Hα-helixtrans-64.7-19177.6-7626.4000111.9R2 R6 L34 G35 W39 I40 I41R2-D37 IonicContact CZ-OD2 2.61Å; R2-D37 IonicContact NE-OD2 3.23Å; R2-D37 PolarHBondContact NE-OD2 3.37Å; R2-D37 IonicContact NH2-OD1 2.73Å; R2-D37 PolarHBondContact NH2-OD1 3.29Å; R2-D37 VanDerWaalsContact NH2-OD1 3.1Å; R2-D37 IonicContact NH2-OD2 3.3Å; R2-D37 PolarHBondContact NH2-OD2 2.97Å; R6-D37 IonicContact CZ-OD2 3.67Å; R6-D37 IonicContact NH2-OD1 3.81Å; R6-D37 IonicContact NH2-OD2 3.6Å; R6-D37 PolarHBondContact NH2-OD2 2.98Å; L34-D37 PolarHBondContact O-N 3.29Å; G35-D37 VanDerWaalsContact C-N 3.25Å; G35-D37 PolarHBondContact O-N 3.03Å; D37-W39 PolarHBondContact O-N 3.45Å; D37-I40 PolarHBondContact O-N 2.87Å; D37-I41 HydrophobicContact CB-CD1 4.35Å; D37-I41 WeakPolarHBondContact O-CG1 3.32Å; D37-I41 PolarHBondContact O-N 2.94Å
38I96.7Very high95.5Very high15 Ų1551 Ų518%0.07727%0.274CS..Hα-helixtrans-54.2-39.4-179.1-172.160.1000112I27 A31 L34 G35 D36 I41 Y42I27-I38 HydrophobicContact CG1-CD1 4.4Å; A31-I38 HydrophobicContact CB-CD1 4.14Å; L34-I38 HydrophobicContact CB-CB 4.02Å; L34-I38 HydrophobicContact CB-CD1 4.3Å; L34-I38 HydrophobicContact CD1-CD1 3.56Å; G35-I38 WeakPolarHBondContact O-CB 3.33Å; G35-I38 WeakPolarHBondContact O-CG2 3.48Å; G35-I38 PolarHBondContact O-N 3.05Å; D36-I38 PolarHBondContact O-N 3.26Å; D36-I38 VanDerWaalsContact O-N 3.15Å; I38-I41 PolarHBondContact O-N 3.4Å; I38-Y42 HydrophobicContact CD1-CD2 4.12Å; I38-Y42 HydrophobicContact CD1-CE2 3.81Å; I38-Y42 HydrophobicContact CG1-CD2 3.74Å; I38-Y42 HydrophobicContact CG1-CE2 3.51Å; I38-Y42 VanDerWaalsContact O-CD2 3.25Å; I38-Y42 WeakPolarHBondContact O-CD2 3.38Å; I38-Y42 PolarHBondContact O-N 3.23Å
39W96.9Very high95.5Very high53 Ų5345.8 Ų45.820%0.20125%0.247CC..Hα-helixtrans-72.3-36.9-176-54119.8000112.4D36 D37 I41 Y42 E43 L65 Q68 F69D36-W39 PolarHBondContact O-N 3.04Å; D37-W39 PolarHBondContact O-N 3.45Å; W39-I41 VanDerWaalsContact C-N 3.31Å; W39-Y42 AromaticContact CE3-CD2 3.84Å; W39-Y42 HydrophobicContact CE3-CD2 3.84Å; W39-Y42 HydrophobicContact CE3-CE2 4.31Å; W39-Y42 HydrophobicContact CZ3-CD2 4.04Å; W39-Y42 HydrophobicContact CZ3-CE2 4.07Å; W39-Y42 PolarHBondContact O-N 2.9Å; W39-E43 PolarHBondContact O-N 3.02Å; W39-E43 VanDerWaalsContact O-N 3.11Å; W39-L65 HydrophobicContact CB-CD2 4.42Å; W39-L65 HydrophobicContact CE3-CD2 4.38Å; W39-Q68 HydrophobicContact CD2-CB 4.43Å; W39-Q68 HydrophobicContact CD2-CG 3.88Å; W39-Q68 HydrophobicContact CE3-CB 4.11Å; W39-Q68 HydrophobicContact CE3-CG 4.07Å; W39-Q68 HydrophobicContact CH2-CB 3.84Å; W39-Q68 HydrophobicContact CH2-CG 3.8Å; W39-Q68 HydrophobicContact CZ2-CB 4.17Å; W39-Q68 VanDerWaalsContact CZ2-CD 3.44Å; W39-Q68 HydrophobicContact CZ2-CG 3.59Å; W39-Q68 HydrophobicContact CZ3-CB 3.81Å; W39-Q68 HydrophobicContact CZ3-CG 4.04Å; W39-F69 HydrophobicContact CB-CE2 3.83Å; W39-F69 HydrophobicContact CB-CZ 4.02Å; W39-F69 AromaticContact CD1-CZ 3.85Å; W39-F69 AromaticContact CD2-CE2 3.93Å; W39-F69 HydrophobicContact CD2-CE2 3.93Å; W39-F69 HydrophobicContact CD2-CZ 4.14Å; W39-F69 HydrophobicContact CE3-CE2 4.25Å; W39-F69 AromaticContact CG-CE2 3.72Å; W39-F69 HydrophobicContact CG-CE2 3.72Å; W39-F69 AromaticContact CG-CZ 3.7Å; W39-F69 HydrophobicContact CG-CZ 3.7Å
40I95.7Very high95.6Very high61 Ų6141 Ų4131%0.31323%0.225SC..Hα-helixtrans-73.2-32.1176-43.2179.9000109.9R9 D37 Q44R9-I40 VanDerWaalsContact CD-CG2 3.42Å; R9-I40 VanDerWaalsContact CZ-CG2 3.43Å; D37-I40 PolarHBondContact O-N 2.87Å; I40-Q44 VanDerWaalsContact O-CB 3.25Å; I40-Q44 WeakPolarHBondContact O-CB 3.34Å; I40-Q44 PolarHBondContact O-N 2.91Å
41I96.8Very high95.5Very high2 Ų241.2 Ų41.21%0.0123%0.231CC..Hα-helixtrans-65.7-46.5171.9-70.9165.5000110.5M5 L26 I27 L34 D37 I38 W39 E43 Q44 V45M5-I41 HydrophobicContact CE-CG2 4.13Å; L26-I41 HydrophobicContact CD1-CD1 4.33Å; I27-I41 HydrophobicContact CD1-CG2 4.3Å; I27-I41 HydrophobicContact CG1-CG2 4.08Å; L34-I41 HydrophobicContact CD1-CD1 3.76Å; L34-I41 HydrophobicContact CD2-CD1 3.65Å; L34-I41 HydrophobicContact CG-CD1 4.21Å; D37-I41 HydrophobicContact CB-CD1 4.35Å; D37-I41 WeakPolarHBondContact O-CG1 3.32Å; D37-I41 PolarHBondContact O-N 2.94Å; I38-I41 PolarHBondContact O-N 3.4Å; W39-I41 VanDerWaalsContact C-N 3.31Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 3.07Å; I41-Q44 PolarHBondContact O-N 3.48Å; I41-V45 HydrophobicContact CG2-CG2 4.19Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 VanDerWaalsContact O-CG2 3.3Å; I41-V45 WeakPolarHBondContact O-CG2 3.49Å; I41-V45 PolarHBondContact O-N 3.21Å
42Y98.1Very high95.6Very high18 Ų1841.6 Ų41.67%0.07123%0.231CC..Hα-helixtrans-54.8-45.8174.7-89.6-62.1000112.2I27 I38 W39 M46 F60 C61 E64I27-Y42 HydrophobicContact CD1-CD1 3.7Å; I27-Y42 HydrophobicContact CD1-CE1 3.83Å; I27-Y42 HydrophobicContact CD1-CG 4.4Å; I27-Y42 HydrophobicContact CG1-CD1 4.26Å; I27-Y42 HydrophobicContact CG1-CE1 4.08Å; I27-Y42 HydrophobicContact CG2-CE1 3.63Å; I38-Y42 HydrophobicContact CD1-CD2 4.12Å; I38-Y42 HydrophobicContact CD1-CE2 3.81Å; I38-Y42 HydrophobicContact CG1-CD2 3.74Å; I38-Y42 HydrophobicContact CG1-CE2 3.51Å; I38-Y42 VanDerWaalsContact O-CD2 3.25Å; I38-Y42 WeakPolarHBondContact O-CD2 3.38Å; I38-Y42 PolarHBondContact O-N 3.23Å; W39-Y42 AromaticContact CE3-CD2 3.84Å; W39-Y42 HydrophobicContact CE3-CD2 3.84Å; W39-Y42 HydrophobicContact CE3-CE2 4.31Å; W39-Y42 HydrophobicContact CZ3-CD2 4.04Å; W39-Y42 HydrophobicContact CZ3-CE2 4.07Å; W39-Y42 PolarHBondContact O-N 2.9Å; Y42-M46 WeakPolarHBondContact O-CB 3.44Å; Y42-M46 PolarHBondContact O-N 3.11Å; Y42-F60 HydrophobicContact CE1-CD1 4.34Å; Y42-F60 AromaticContact CE1-CE1 3.81Å; Y42-F60 HydrophobicContact CE1-CE1 3.81Å; Y42-C61 HydrophobicContact CD1-CB 3.81Å; Y42-E64 HydrophobicContact CD1-CB 4.41Å; Y42-E64 HydrophobicContact CE1-CB 4.08Å; Y42-E64 HydrophobicContact CE1-CG 4.1Å; Y42-E64 HydrophobicContact CE2-CB 4.28Å
43E97Very high95.7Very high15 Ų1541.5 Ų41.57%0.0723%0.23CC..Hα-helixtrans-65.8-43.4177.3178.5175.6-154.400112.2W39 I41 V45 M46 I47 L65 R74 R77 L78W39-E43 PolarHBondContact O-N 3.02Å; W39-E43 VanDerWaalsContact O-N 3.11Å; I41-E43 VanDerWaalsContact C-N 3.31Å; I41-E43 PolarHBondContact O-N 3.07Å; E43-V45 VanDerWaalsContact C-N 3.35Å; E43-V45 PolarHBondContact O-N 3.45Å; E43-M46 PolarHBondContact O-N 3.31Å; E43-I47 HydrophobicContact CG-CD1 3.98Å; E43-I47 WeakPolarHBondContact O-CG1 3.22Å; E43-I47 PolarHBondContact O-N 3.03Å; E43-L65 HydrophobicContact CB-CD1 4.1Å; E43-R74 IonicContact OE1-CZ 2.55Å; E43-R74 IonicContact OE1-NE 3.12Å; E43-R74 PolarHBondContact OE1-NE 3.25Å; E43-R74 IonicContact OE1-NH2 3.86Å; E43-R74 IonicContact OE2-CZ 2.65Å; E43-R74 IonicContact OE2-NE 2.74Å; E43-R74 PolarHBondContact OE2-NE 2.76Å; E43-R74 IonicContact OE2-NH2 3.83Å; E43-R74 PolarHBondContact OE2-NH2 2.99Å; E43-R77 IonicContact OE1-NH2 3.33Å; E43-R77 PolarHBondContact OE1-NH2 2.96Å; E43-L78 HydrophobicContact CB-CD1 4.33Å; E43-L78 HydrophobicContact CG-CD1 3.8Å; E43-L78 HydrophobicContact CG-CD2 3.96Å; E43-L78 HydrophobicContact CG-CG 4.48Å
44Q96.2Very high95.8Very high21 Ų2138 Ų3810%0.09821%0.213CC..Hα-helixtrans-62.5-42.6179.2-174.4174.20.400111.7M5 R9 I19 I40 I41 A48M5-Q44 HydrophobicContact CE-CB 4.3Å; M5-Q44 HydrophobicContact CE-CG 3.99Å; M5-Q44 PolarHBondContact O-NE2 3.37Å; M5-Q44 PolarHBondContact O-OE1 2.86Å; R9-Q44 VanDerWaalsContact NH1-OE1 3.09Å; I19-Q44 HydrophobicContact CG2-CG 3.79Å; I40-Q44 VanDerWaalsContact O-CB 3.25Å; I40-Q44 WeakPolarHBondContact O-CB 3.34Å; I40-Q44 PolarHBondContact O-N 2.91Å; I41-Q44 PolarHBondContact O-N 3.48Å; Q44-A48 WeakPolarHBondContact O-CB 3.3Å; Q44-A48 PolarHBondContact O-N 3.25Å; Q44-A48 VanDerWaalsContact O-N 3.12Å
45V97.5Very high96Very high0 Ų040.4 Ų40.40%023%0.226CC..Hα-helixtrans-66.7-42.8174.5174.30000110.9M5 G23 I27 I41 E43 I47 A48 A49 L57M5-V45 HydrophobicContact CE-CG2 3.85Å; G23-V45 VanDerWaalsContact CA-CG2 3.47Å; I27-V45 HydrophobicContact CD1-CB 4.05Å; I27-V45 HydrophobicContact CD1-CG1 4.12Å; I27-V45 HydrophobicContact CD1-CG2 3.9Å; I41-V45 HydrophobicContact CG2-CG2 4.19Å; I41-V45 WeakPolarHBondContact O-CB 3.49Å; I41-V45 VanDerWaalsContact O-CG2 3.3Å; I41-V45 WeakPolarHBondContact O-CG2 3.49Å; I41-V45 PolarHBondContact O-N 3.21Å; E43-V45 VanDerWaalsContact C-N 3.35Å; E43-V45 PolarHBondContact O-N 3.45Å; V45-I47 VanDerWaalsContact C-N 3.34Å; V45-I47 PolarHBondContact O-N 2.99Å; V45-A48 PolarHBondContact O-N 3.25Å; V45-A49 WeakPolarHBondContact O-CB 3.46Å; V45-A49 PolarHBondContact O-N 2.9Å; V45-L57 HydrophobicContact CG1-CD1 4.21Å; V45-L57 HydrophobicContact CG1-CD2 3.64Å; V45-L57 HydrophobicContact CG1-CG 3.85Å
46M97.6Very high96.2Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-57.1-47.4178-175.4-87.8176.500111.8Y42 E43 A49 L50 A58 C61 L62 L78 R82Y42-M46 WeakPolarHBondContact O-CB 3.44Å; Y42-M46 PolarHBondContact O-N 3.11Å; E43-M46 PolarHBondContact O-N 3.31Å; M46-A49 PolarHBondContact O-N 3.36Å; M46-L50 HydrophobicContact CE-CD1 3.66Å; M46-L50 HydrophobicContact CE-CD2 4.47Å; M46-L50 HydrophobicContact CE-CG 4.17Å; M46-L50 WeakPolarHBondContact O-CG 3.4Å; M46-L50 PolarHBondContact O-N 3.28Å; M46-L50 VanDerWaalsContact O-N 3.14Å; M46-L50 HydrophobicContact SD-CD1 4Å; M46-L50 HydrophobicContact SD-CG 4.42Å; M46-A58 HydrophobicContact CG-CB 4.38Å; M46-A58 WeakPolarHBondContact CG-O 3.03Å; M46-C61 HydrophobicContact CB-CB 3.72Å; M46-C61 HydrophobicContact CG-CB 4.27Å; M46-L62 HydrophobicContact CE-CB 4.42Å; M46-L62 HydrophobicContact CE-CD1 4.44Å; M46-L62 HydrophobicContact CE-CD2 4.31Å; M46-L62 HydrophobicContact CG-CB 4.42Å; M46-L78 HydrophobicContact CE-CB 4.08Å; M46-L78 VanDerWaalsContact CE-O 3.25Å; M46-L78 WeakPolarHBondContact CE-O 3.37Å; M46-L78 HydrophobicContact SD-CB 4.06Å; M46-L78 HydrophobicContact SD-CD2 3.89Å; M46-L78 HydrophobicContact SD-CG 4.4Å; M46-R82 HydrophobicContact CE-CB 3.85Å
47I95.8Very high96.5Very high57 Ų5736.6 Ų36.629%0.29219%0.194SC..Hα-helixtrans-64.7-45.9179.2-65.5168.3000110.8E43 V45 A49 L50 D51 L78 M81E43-I47 HydrophobicContact CG-CD1 3.98Å; E43-I47 WeakPolarHBondContact O-CG1 3.22Å; E43-I47 PolarHBondContact O-N 3.03Å; V45-I47 VanDerWaalsContact C-N 3.34Å; V45-I47 PolarHBondContact O-N 2.99Å; I47-A49 VanDerWaalsContact C-N 3.33Å; I47-A49 PolarHBondContact O-N 2.93Å; I47-L50 PolarHBondContact O-N 3.16Å; I47-D51 PolarHBondContact O-N 2.91Å; I47-L78 HydrophobicContact CD1-CD2 4.11Å; I47-L78 HydrophobicContact CG1-CD2 3.94Å; I47-M81 HydrophobicContact CG1-CE 4Å; I47-M81 HydrophobicContact CG2-CE 4.18Å
48A96.9Very high96.8Very high3 Ų335.4 Ų35.43%0.02519%0.188CC..Hα-helixtrans-65.8-35.8178.900000112.7I19 V20 Q44 V45 L50 D51 C52I19-A48 HydrophobicContact CB-CB 3.78Å; I19-A48 HydrophobicContact CG2-CB 3.42Å; I19-A48 VanDerWaalsContact CG2-CB 3.42Å; V20-A48 HydrophobicContact CG2-CB 3.9Å; Q44-A48 WeakPolarHBondContact O-CB 3.3Å; Q44-A48 PolarHBondContact O-N 3.25Å; Q44-A48 VanDerWaalsContact O-N 3.12Å; V45-A48 PolarHBondContact O-N 3.25Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 2.97Å; A48-D51 WeakPolarHBondContact O-CB 3.45Å; A48-D51 PolarHBondContact O-N 3.19Å; A48-C52 PolarHBondContact O-N 3.12Å; A48-C52 PolarHBondContact O-SG 3.15Å
49A97.8Very high96.8Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-65.6-36.8176.700000111.8V20 V45 M46 I47 C52 S53 R54 L57 A58V20-A49 HydrophobicContact CG2-CB 4.17Å; V45-A49 WeakPolarHBondContact O-CB 3.46Å; V45-A49 PolarHBondContact O-N 2.9Å; M46-A49 PolarHBondContact O-N 3.36Å; I47-A49 VanDerWaalsContact C-N 3.33Å; I47-A49 PolarHBondContact O-N 2.93Å; A49-C52 CarbonylContact O-C 3.37Å; A49-C52 PolarHBondContact O-N 3.41Å; A49-S53 PolarHBondContact O-N 3.45Å; A49-S53 VanDerWaalsContact O-N 3.08Å; A49-R54 HydrophobicContact CB-CB 4.14Å; A49-R54 PolarHBondContact O-N 3.01Å; A49-L57 HydrophobicContact CB-CB 4.16Å; A49-L57 HydrophobicContact CB-CD2 4.16Å; A49-L57 HydrophobicContact CB-CG 4.18Å; A49-A58 HydrophobicContact CB-CB 3.95Å
50L96.5Very high96.9Very high22 Ų2238.7 Ų38.712%0.11521%0.205CC..Hα-helixtrans-61.5-45.4171.4-68.1-179.4000111.7M46 I47 A48 C52 S53 A58 M81 R82 A85M46-L50 HydrophobicContact CE-CD1 3.66Å; M46-L50 HydrophobicContact CE-CD2 4.47Å; M46-L50 HydrophobicContact CE-CG 4.17Å; M46-L50 WeakPolarHBondContact O-CG 3.4Å; M46-L50 PolarHBondContact O-N 3.28Å; M46-L50 VanDerWaalsContact O-N 3.14Å; M46-L50 HydrophobicContact SD-CD1 4Å; M46-L50 HydrophobicContact SD-CG 4.42Å; I47-L50 PolarHBondContact O-N 3.16Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-L50 PolarHBondContact O-N 2.97Å; L50-C52 PolarHBondContact O-N 2.9Å; L50-S53 PolarHBondContact O-N 3.33Å; L50-S53 VanDerWaalsContact O-N 3.12Å; L50-A58 HydrophobicContact CD2-CB 3.66Å; L50-A58 HydrophobicContact CG-CB 4.04Å; L50-M81 HydrophobicContact CD1-CB 3.99Å; L50-R82 HydrophobicContact CD1-CB 4.37Å; L50-R82 HydrophobicContact CD2-CB 4.11Å; L50-R82 HydrophobicContact CD2-CG 4.19Å; L50-A85 HydrophobicContact CB-CB 4.47Å; L50-A85 HydrophobicContact CD2-CB 3.94Å
51D94.5Very high97Very high78 Ų7835.8 Ų35.842%0.41719%0.19SC..Hα-helixtrans-60.6-34.8176.1-82.5-8.7000112.1R14 S16 I47 A48 S53R14-D51 IonicContact NE-OD2 3.37Å; R14-D51 IonicContact NH2-OD1 3.18Å; R14-D51 IonicContact NH2-OD2 3.39Å; S16-D51 PolarHBondContact OG-OD2 2.68Å; I47-D51 PolarHBondContact O-N 2.91Å; A48-D51 WeakPolarHBondContact O-CB 3.45Å; A48-D51 PolarHBondContact O-N 3.19Å; D51-S53 VanDerWaalsContact C-N 3.33Å
52C96Very high97.1Very high48 Ų4835.9 Ų35.932%0.32419%0.191SC..THydrogen-bonded Turntrans-88.36.6178.6-66.60000114V20 A48 A49 L50 R54V20-C52 HydrophobicContact CG2-CB 4.44Å; A48-C52 PolarHBondContact O-N 3.12Å; A48-C52 PolarHBondContact O-SG 3.15Å; A49-C52 CarbonylContact O-C 3.37Å; A49-C52 PolarHBondContact O-N 3.41Å; L50-C52 PolarHBondContact O-N 2.9Å; C52-R54 HydrophobicContact CB-CG 4.3Å; C52-R54 PolarHBondContact O-N 3.5Å; C52-R54 VanDerWaalsContact O-N 3.13Å
53S95.3Very high97.1Very high111 Ų11140.2 Ų40.278%0.77621%0.212SC*.THydrogen-bonded Turntrans55.625.1-175.9-55.60000114.7A49 L50 D51 D55A49-S53 PolarHBondContact O-N 3.45Å; A49-S53 VanDerWaalsContact O-N 3.08Å; L50-S53 PolarHBondContact O-N 3.33Å; L50-S53 VanDerWaalsContact O-N 3.12Å; D51-S53 VanDerWaalsContact C-N 3.33Å; S53-D55 VanDerWaalsContact C-N 3.34Å; S53-D55 PolarHBondContact O-N 3.27Å
54R96.8Very high97.1Very high79 Ų7941.3 Ų41.330%0.29822%0.217SC..  trans-88.767.4173.1-70.9-72.6-55.8-78.7-3.6109.7E24 A49 C52 D56 L57 A58E24-R54 IonicContact OE1-NH2 3.79Å; E24-R54 PolarHBondContact OE1-NH2 3.22Å; E24-R54 VanDerWaalsContact OE1-NH2 3.09Å; E24-R54 IonicContact OE2-CZ 3.57Å; E24-R54 IonicContact OE2-NH1 3.27Å; E24-R54 PolarHBondContact OE2-NH1 3.24Å; E24-R54 IonicContact OE2-NH2 2.81Å; E24-R54 PolarHBondContact OE2-NH2 2.86Å; A49-R54 HydrophobicContact CB-CB 4.14Å; A49-R54 PolarHBondContact O-N 3.01Å; C52-R54 HydrophobicContact CB-CG 4.3Å; C52-R54 PolarHBondContact O-N 3.5Å; C52-R54 VanDerWaalsContact O-N 3.13Å; R54-D56 WeakPolarHBondContact CA-OD1 3.21Å; R54-D56 IonicContact CZ-OD2 3.12Å; R54-D56 IonicContact NE-OD1 2.76Å; R54-D56 PolarHBondContact NE-OD1 3.47Å; R54-D56 IonicContact NE-OD2 3.13Å; R54-D56 IonicContact NH2-OD2 3.25Å; R54-D56 PolarHBondContact NH2-OD2 3.42Å; R54-D56 VanDerWaalsContact NH2-OD2 3.15Å; R54-D56 PolarHBondContact O-N 3.27Å; R54-L57 HydrophobicContact CB-CB 4.32Å; R54-L57 PolarHBondContact O-N 2.77Å; R54-A58 PolarHBondContact O-N 3.29Å
55D96.6Very high97.2Very high56 Ų5640.6 Ų40.630%0.29921%0.214SC..Hα-helixtrans-63.4-27.8-176.1-175.864.1000113S53 A58 L59 R82S53-D55 VanDerWaalsContact C-N 3.34Å; S53-D55 PolarHBondContact O-N 3.27Å; D55-A58 PolarHBondContact O-N 3.2Å; D55-L59 WeakPolarHBondContact O-CB 3.35Å; D55-L59 PolarHBondContact O-N 3.12Å; D55-R82 IonicContact OD1-CZ 3.51Å; D55-R82 IonicContact OD1-NE 3.35Å; D55-R82 PolarHBondContact OD1-NE 3.29Å; D55-R82 IonicContact OD1-NH2 3.09Å; D55-R82 PolarHBondContact OD1-NH2 3.36Å; D55-R82 IonicContact OD2-CZ 3.15Å; D55-R82 IonicContact OD2-NE 3.62Å; D55-R82 IonicContact OD2-NH2 3.29Å; D55-R82 PolarHBondContact OD2-NH2 2.79Å
56D97.3Very high97.2Very high96 Ų9646.9 Ų46.951%0.51324%0.238SC..Hα-helixtrans-54.9-53.7172.159.1-49.9000111.4R54 L59 F60R54-D56 WeakPolarHBondContact CA-OD1 3.21Å; R54-D56 IonicContact CZ-OD2 3.12Å; R54-D56 IonicContact NE-OD1 2.76Å; R54-D56 PolarHBondContact NE-OD1 3.47Å; R54-D56 IonicContact NE-OD2 3.13Å; R54-D56 IonicContact NH2-OD2 3.25Å; R54-D56 PolarHBondContact NH2-OD2 3.42Å; R54-D56 VanDerWaalsContact NH2-OD2 3.15Å; R54-D56 PolarHBondContact O-N 3.27Å; D56-L59 PolarHBondContact O-N 3.39Å; D56-F60 PolarHBondContact O-N 3.49Å
57L98Very high97.2Very high8 Ų855.2 Ų55.24%0.04227%0.269CS..Hα-helixtrans-70.6-41.7-179.6-178.460.8000111.1V20 E24 V45 A49 R54 L59 F60 C61V20-L57 HydrophobicContact CG1-CD2 3.78Å; E24-L57 HydrophobicContact CB-CD2 4.15Å; E24-L57 HydrophobicContact CG-CD1 4.2Å; E24-L57 HydrophobicContact CG-CD2 4.25Å; V45-L57 HydrophobicContact CG1-CD1 4.21Å; V45-L57 HydrophobicContact CG1-CD2 3.64Å; V45-L57 HydrophobicContact CG1-CG 3.85Å; A49-L57 HydrophobicContact CB-CB 4.16Å; A49-L57 HydrophobicContact CB-CD2 4.16Å; A49-L57 HydrophobicContact CB-CG 4.18Å; R54-L57 HydrophobicContact CB-CB 4.32Å; R54-L57 PolarHBondContact O-N 2.77Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.01Å; L57-F60 HydrophobicContact CD1-CD1 4.44Å; L57-F60 PolarHBondContact O-N 2.83Å; L57-C61 PolarHBondContact O-N 3.11Å; L57-C61 PolarHBondContact O-SG 3.45Å
58A98.2Very high97.3Very high0 Ų056.9 Ų56.90%028%0.276CS..Hα-helixtrans-59.6-42.8176.900000111.9M46 A49 L50 R54 D55 L62M46-A58 HydrophobicContact CG-CB 4.38Å; M46-A58 WeakPolarHBondContact CG-O 3.03Å; A49-A58 HydrophobicContact CB-CB 3.95Å; L50-A58 HydrophobicContact CD2-CB 3.66Å; L50-A58 HydrophobicContact CG-CB 4.04Å; R54-A58 PolarHBondContact O-N 3.29Å; D55-A58 PolarHBondContact O-N 3.2Å; A58-L62 VanDerWaalsContact O-CB 3.24Å; A58-L62 WeakPolarHBondContact O-CB 3.5Å; A58-L62 PolarHBondContact O-N 2.84Å
59L97.9Very high97.3Very high56 Ų5660.3 Ų60.329%0.29329%0.29SS..Hα-helixtrans-65.8-44.4177.3179.959.3000111.5D55 D56 L57 L62 Q63D55-L59 WeakPolarHBondContact O-CB 3.35Å; D55-L59 PolarHBondContact O-N 3.12Å; D56-L59 PolarHBondContact O-N 3.39Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-L59 PolarHBondContact O-N 3.01Å; L59-L62 PolarHBondContact O-N 3.28Å; L59-Q63 HydrophobicContact CD1-CG 4.24Å; L59-Q63 WeakPolarHBondContact O-CG 3.5Å; L59-Q63 PolarHBondContact O-N 2.87Å
60F98.2Very high97.2Very high81 Ų8165.3 Ų65.336%0.35532%0.323SS..Hα-helixtrans-57.3-53.3176.2172.2-105.2000111.5I27 Y42 D56 L57 L62 Q63 E64I27-F60 HydrophobicContact CG2-CE1 3.89Å; Y42-F60 HydrophobicContact CE1-CD1 4.34Å; Y42-F60 AromaticContact CE1-CE1 3.81Å; Y42-F60 HydrophobicContact CE1-CE1 3.81Å; D56-F60 PolarHBondContact O-N 3.49Å; L57-F60 HydrophobicContact CD1-CD1 4.44Å; L57-F60 PolarHBondContact O-N 2.83Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 3.17Å; F60-Q63 PolarHBondContact O-N 2.96Å; F60-E64 HydrophobicContact CE2-CG 4.29Å; F60-E64 HydrophobicContact CZ-CG 4.21Å; F60-E64 PolarHBondContact O-N 3.35Å; F60-E64 VanDerWaalsContact O-N 3.15Å
61C98.4Very high96.9Very high0 Ų067 Ų670%035%0.345CS..Hα-helixtrans-59.5-39.8177.9-62.40000112.1Y42 M46 L57 E64 L65Y42-C61 HydrophobicContact CD1-CB 3.81Å; M46-C61 HydrophobicContact CB-CB 3.72Å; M46-C61 HydrophobicContact CG-CB 4.27Å; L57-C61 PolarHBondContact O-N 3.11Å; L57-C61 PolarHBondContact O-SG 3.45Å; C61-E64 PolarHBondContact O-N 3.15Å; C61-L65 VanDerWaalsContact O-CG 3.29Å; C61-L65 WeakPolarHBondContact O-CG 3.4Å; C61-L65 PolarHBondContact O-N 2.95Å
62L98.3Very high96.9Very high5 Ų565.2 Ų65.23%0.02634%0.339CS..Hα-helixtrans-65.6-37.8178.5-17861.3000112.6M46 A58 L59 F60 R66 V75 L78 R82M46-L62 HydrophobicContact CE-CB 4.42Å; M46-L62 HydrophobicContact CE-CD1 4.44Å; M46-L62 HydrophobicContact CE-CD2 4.31Å; M46-L62 HydrophobicContact CG-CB 4.42Å; A58-L62 VanDerWaalsContact O-CB 3.24Å; A58-L62 WeakPolarHBondContact O-CB 3.5Å; A58-L62 PolarHBondContact O-N 2.84Å; L59-L62 PolarHBondContact O-N 3.28Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 3.17Å; L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 PolarHBondContact O-N 3.3Å; L62-V75 HydrophobicContact CD1-CG1 4.07Å; L62-L78 HydrophobicContact CD1-CB 3.79Å; L62-R82 HydrophobicContact CD2-CB 4.47Å
63Q98.2Very high96.7Very high109 Ų10966 Ų6651%0.50934%0.338SS..Hα-helixtrans-65.5-44.3177.1-75.2176.2-2.100111.3L59 F60 R66 R67L59-Q63 HydrophobicContact CD1-CG 4.24Å; L59-Q63 WeakPolarHBondContact O-CG 3.5Å; L59-Q63 PolarHBondContact O-N 2.87Å; F60-Q63 PolarHBondContact O-N 2.96Å; Q63-R66 PolarHBondContact O-N 3.22Å; Q63-R67 WeakPolarHBondContact O-CB 3.38Å; Q63-R67 PolarHBondContact O-N 3.48Å
64E98Very high96.6Very high38 Ų3867.1 Ų67.118%0.17833%0.325CS..Hα-helixtrans-61.9-44.9176.2-71.6-55.4119.400111.9Y42 F60 C61 R66 R67 Q68Y42-E64 HydrophobicContact CD1-CB 4.41Å; Y42-E64 HydrophobicContact CE1-CB 4.08Å; Y42-E64 HydrophobicContact CE1-CG 4.1Å; Y42-E64 HydrophobicContact CE2-CB 4.28Å; F60-E64 HydrophobicContact CE2-CG 4.29Å; F60-E64 HydrophobicContact CZ-CG 4.21Å; F60-E64 PolarHBondContact O-N 3.35Å; F60-E64 VanDerWaalsContact O-N 3.15Å; C61-E64 PolarHBondContact O-N 3.15Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.27Å; E64-R67 PolarHBondContact O-N 3.27Å; E64-R67 IonicContact OE1-NE 3.81Å; E64-R67 IonicContact OE1-NH2 3.93Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NE 3.71Å; E64-R67 PolarHBondContact OE2-NE 3.31Å; E64-R67 IonicContact OE2-NH2 3.21Å; E64-R67 PolarHBondContact OE2-NH2 3.35Å; E64-Q68 PolarHBondContact O-N 3.36Å
65L98.1Very high96.6Very high6 Ų663.8 Ų63.83%0.03131%0.313CS..Hα-helixtrans-62.1-38.9175.7-71.7169.5000112.6W39 E43 C61 Q68 F69 V75 L78W39-L65 HydrophobicContact CB-CD2 4.42Å; W39-L65 HydrophobicContact CE3-CD2 4.38Å; E43-L65 HydrophobicContact CB-CD1 4.1Å; C61-L65 VanDerWaalsContact O-CG 3.29Å; C61-L65 WeakPolarHBondContact O-CG 3.4Å; C61-L65 PolarHBondContact O-N 2.95Å; L65-Q68 PolarHBondContact O-N 3.34Å; L65-F69 HydrophobicContact CD2-CD2 4.37Å; L65-F69 HydrophobicContact CD2-CE2 4.26Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.39Å; L65-V75 HydrophobicContact CB-CG2 4.14Å; L65-L78 HydrophobicContact CD1-CD1 3.66Å
66R97.6Very high96.6Very high131 Ų13163.5 Ų63.549%0.49431%0.309SS..Hα-helixtrans-67.8-37.6177.3-174.1-178.5-65.7-154.4-0.9112.3L62 Q63 E64 V75 T79L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 PolarHBondContact O-N 3.3Å; Q63-R66 PolarHBondContact O-N 3.22Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.27Å; R66-V75 HydrophobicContact CB-CG1 4Å; R66-T79 PolarHBondContact NH2-OG1 3.31Å
67R97.4Very high96.5Very high175 Ų17561.4 Ų61.466%0.6629%0.294SS*.Hα-helixtrans-64.8-42.5176.5-173.4171.669.6101.9-1111.2Q63 E64Q63-R67 WeakPolarHBondContact O-CB 3.38Å; Q63-R67 PolarHBondContact O-N 3.48Å; E64-R67 PolarHBondContact O-N 3.27Å; E64-R67 IonicContact OE1-NE 3.81Å; E64-R67 IonicContact OE1-NH2 3.93Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NE 3.71Å; E64-R67 PolarHBondContact OE2-NE 3.31Å; E64-R67 IonicContact OE2-NH2 3.21Å; E64-R67 PolarHBondContact OE2-NH2 3.35Å
68Q97.3Very high96.4Very high92 Ų9261.1 Ų61.143%0.4329%0.293SS..Hα-helixtrans-75.5-38.3-179.7-177.364.11200113.2W39 E64 L65 P70W39-Q68 HydrophobicContact CD2-CB 4.43Å; W39-Q68 HydrophobicContact CD2-CG 3.88Å; W39-Q68 HydrophobicContact CE3-CB 4.11Å; W39-Q68 HydrophobicContact CE3-CG 4.07Å; W39-Q68 HydrophobicContact CH2-CB 3.84Å; W39-Q68 HydrophobicContact CH2-CG 3.8Å; W39-Q68 HydrophobicContact CZ2-CB 4.17Å; W39-Q68 VanDerWaalsContact CZ2-CD 3.44Å; W39-Q68 HydrophobicContact CZ2-CG 3.59Å; W39-Q68 HydrophobicContact CZ3-CB 3.81Å; W39-Q68 HydrophobicContact CZ3-CG 4.04Å; E64-Q68 PolarHBondContact O-N 3.36Å; L65-Q68 PolarHBondContact O-N 3.34Å; Q68-P70 VanDerWaalsContact C-CD 3.44Å; Q68-P70 WeakPolarHBondContact O-CD 3.44Å
69F96.9Very high96.3Very high76 Ų7661.8 Ų61.833%0.33330%0.297SS..SBendtrans-124.566.1-173.9-51.5-74.6000112.1W39 L65 G71 S72 V75W39-F69 HydrophobicContact CB-CE2 3.83Å; W39-F69 HydrophobicContact CB-CZ 4.02Å; W39-F69 AromaticContact CD1-CZ 3.85Å; W39-F69 AromaticContact CD2-CE2 3.93Å; W39-F69 HydrophobicContact CD2-CE2 3.93Å; W39-F69 HydrophobicContact CD2-CZ 4.14Å; W39-F69 HydrophobicContact CE3-CE2 4.25Å; W39-F69 AromaticContact CG-CE2 3.72Å; W39-F69 HydrophobicContact CG-CE2 3.72Å; W39-F69 AromaticContact CG-CZ 3.7Å; W39-F69 HydrophobicContact CG-CZ 3.7Å; L65-F69 HydrophobicContact CD2-CD2 4.37Å; L65-F69 HydrophobicContact CD2-CE2 4.26Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.39Å; F69-G71 PolarHBondContact O-N 2.91Å; F69-S72 WeakPolarHBondContact O-CB 3.44Å; F69-S72 PolarHBondContact O-N 2.79Å; F69-V75 HydrophobicContact CB-CG2 4.09Å
70P95.3Very high96.3Very high105 Ų10559.1 Ų59.168%0.68228%0.283SS*.THydrogen-bonded Turntrans-60.1133.6179.826.3-34.4000110.7Q68 S72Q68-P70 VanDerWaalsContact C-CD 3.44Å; Q68-P70 WeakPolarHBondContact O-CD 3.44Å; P70-S72 VanDerWaalsContact C-N 3.26Å; P70-S72 PolarHBondContact O-N 2.8Å
71G90.7Very high96.1Very high56 Ų5656.4 Ų56.458%0.57727%0.272SS*.THydrogen-bonded Turntrans79.3-6.9178.700000115.9F69 H73 K76F69-G71 PolarHBondContact O-N 2.91Å; G71-H73 PolarHBondContact O-N 2.75Å; G71-K76 WeakPolarHBondContact O-CE 3.45Å
72S94.4Very high96.1Very high42 Ų4258.2 Ų58.229%0.29428%0.279SS..  trans-59.1127.3-179172.70000113F69 P70 R74 V75 K76F69-S72 WeakPolarHBondContact O-CB 3.44Å; F69-S72 PolarHBondContact O-N 2.79Å; P70-S72 VanDerWaalsContact C-N 3.26Å; P70-S72 PolarHBondContact O-N 2.8Å; S72-R74 PolarHBondContact O-N 3.27Å; S72-R74 PolarHBondContact OG-N 3.16Å; S72-V75 PolarHBondContact O-N 3.26Å; S72-V75 VanDerWaalsContact O-N 3.1Å; S72-K76 WeakPolarHBondContact O-CG 3.34Å; S72-K76 PolarHBondContact O-N 2.9Å
73H91.9Very high96Very high65 Ų6559.7 Ų59.730%0.30129%0.285SS..Hα-helixtrans-57.1-34.3173.2-66.9-69.3000112.4G71 K76 R77 E102G71-H73 PolarHBondContact O-N 2.75Å; H73-K76 PolarHBondContact O-N 3.44Å; H73-R77 WeakPolarHBondContact O-CB 3.35Å; H73-R77 PolarHBondContact O-N 3.11Å; H73-E102 IonicContact CE1-OE2 2.79Å; H73-E102 PolarHBondContact CE1-OE2 3.02Å; H73-E102 IonicContact ND1-OE2 2.87Å; H73-E102 IonicContact NE2-OE2 3.73Å
74R93.6Very high95.8Very high133 Ų13355.6 Ų55.650%0.50227%0.266SS..Hα-helixtrans-62.3-44.8176.8-167.2172.8-176.4162.5-3.3110.9E43 S72 R77 L78E43-R74 IonicContact OE1-CZ 2.55Å; E43-R74 IonicContact OE1-NE 3.12Å; E43-R74 PolarHBondContact OE1-NE 3.25Å; E43-R74 IonicContact OE1-NH2 3.86Å; E43-R74 IonicContact OE2-CZ 2.65Å; E43-R74 IonicContact OE2-NE 2.74Å; E43-R74 PolarHBondContact OE2-NE 2.76Å; E43-R74 IonicContact OE2-NH2 3.83Å; E43-R74 PolarHBondContact OE2-NH2 2.99Å; S72-R74 PolarHBondContact O-N 3.27Å; S72-R74 PolarHBondContact OG-N 3.16Å; R74-R77 WeakPolarHBondContact O-CB 3.46Å; R74-R77 PolarHBondContact O-N 2.98Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 3.17Å; R74-L78 VanDerWaalsContact O-N 3.08Å
75V96.4Very high95.6Very high9 Ų956.6 Ų56.66%0.05528%0.28CS..Hα-helixtrans-71.5-37.5177.4-178.80000112L62 L65 R66 F69 S72 R77 L78 T79L62-V75 HydrophobicContact CD1-CG1 4.07Å; L65-V75 HydrophobicContact CB-CG2 4.14Å; R66-V75 HydrophobicContact CB-CG1 4Å; F69-V75 HydrophobicContact CB-CG2 4.09Å; S72-V75 PolarHBondContact O-N 3.26Å; S72-V75 VanDerWaalsContact O-N 3.1Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 2.95Å; V75-T79 PolarHBondContact O-N 3.29Å; V75-T79 PolarHBondContact O-OG1 2.85Å
76K95.9Very high95.4Very high50 Ų5059.4 Ų59.422%0.21729%0.294CS..Hα-helixtrans-58.1-44.1170.7-66.7179.8-174.7178.10110.3G71 S72 H73 L78 T79 G80 L95 I99 E102G71-K76 WeakPolarHBondContact O-CE 3.45Å; S72-K76 WeakPolarHBondContact O-CG 3.34Å; S72-K76 PolarHBondContact O-N 2.9Å; H73-K76 PolarHBondContact O-N 3.44Å; K76-L78 PolarHBondContact O-N 3.46Å; K76-T79 WeakPolarHBondContact O-CB 3.36Å; K76-T79 PolarHBondContact O-N 3.08Å; K76-G80 PolarHBondContact O-N 3.1Å; K76-L95 HydrophobicContact CB-CD1 4.36Å; K76-L95 VanDerWaalsContact O-CD2 3.22Å; K76-L95 WeakPolarHBondContact O-CD2 3.49Å; K76-I99 HydrophobicContact CB-CD1 3.69Å; K76-I99 HydrophobicContact CB-CG1 4.05Å; K76-I99 HydrophobicContact CD-CG1 4.1Å; K76-E102 IonicContact NZ-OE1 2.97Å; K76-E102 PolarHBondContact NZ-OE1 3.19Å; K76-E102 IonicContact NZ-OE2 3.96Å; K76-E102 PolarHBondContact NZ-OE2 2.88Å
77R94.9Very high95.2Very high52 Ų5260 Ų6020%0.19630%0.303CS..Hα-helixtrans-60.4-44.1176-178.9179.75969.43.4112.6E43 H73 R74 V75 T79 G80 M81 Y96E43-R77 IonicContact OE1-NH2 3.33Å; E43-R77 PolarHBondContact OE1-NH2 2.96Å; H73-R77 WeakPolarHBondContact O-CB 3.35Å; H73-R77 PolarHBondContact O-N 3.11Å; R74-R77 WeakPolarHBondContact O-CB 3.46Å; R74-R77 PolarHBondContact O-N 2.98Å; V75-R77 VanDerWaalsContact C-N 3.3Å; V75-R77 PolarHBondContact O-N 3.47Å; R77-T79 VanDerWaalsContact C-N 3.31Å; R77-T79 PolarHBondContact O-N 3.46Å; R77-G80 WeakPolarHBondContact O-CA 3.44Å; R77-G80 PolarHBondContact O-N 3.27Å; R77-G80 VanDerWaalsContact O-N 3.11Å; R77-M81 PolarHBondContact NH1-SD 3.41Å; R77-M81 WeakPolarHBondContact O-CG 3.45Å; R77-M81 PolarHBondContact O-N 3.38Å; R77-Y96 HydrophobicContact CG-CE1 4.21Å; R77-Y96 PolarHBondContact O-OH 2.97Å
78L96.4Very high95.1Very high2 Ų257 Ų571%0.0129%0.291CS..Hα-helixtrans-62.5-37.9175.3-64.4172.6000111.9E43 M46 I47 L62 L65 R74 V75 K76 G80 M81 R82E43-L78 HydrophobicContact CB-CD1 4.33Å; E43-L78 HydrophobicContact CG-CD1 3.8Å; E43-L78 HydrophobicContact CG-CD2 3.96Å; E43-L78 HydrophobicContact CG-CG 4.48Å; M46-L78 HydrophobicContact CE-CB 4.08Å; M46-L78 VanDerWaalsContact CE-O 3.25Å; M46-L78 WeakPolarHBondContact CE-O 3.37Å; M46-L78 HydrophobicContact SD-CB 4.06Å; M46-L78 HydrophobicContact SD-CD2 3.89Å; M46-L78 HydrophobicContact SD-CG 4.4Å; I47-L78 HydrophobicContact CD1-CD2 4.11Å; I47-L78 HydrophobicContact CG1-CD2 3.94Å; L62-L78 HydrophobicContact CD1-CB 3.79Å; L65-L78 HydrophobicContact CD1-CD1 3.66Å; R74-L78 WeakPolarHBondContact O-CG 3.34Å; R74-L78 PolarHBondContact O-N 3.17Å; R74-L78 VanDerWaalsContact O-N 3.08Å; V75-L78 PolarHBondContact O-N 2.95Å; K76-L78 PolarHBondContact O-N 3.46Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.25Å; L78-M81 HydrophobicContact CD2-SD 4.02Å; L78-M81 PolarHBondContact O-N 3.34Å; L78-R82 PolarHBondContact O-N 3.23Å
79T97.1Very high95Very high14 Ų1455.4 Ų55.49%0.08628%0.282CS..Hα-helixtrans-60.5-41.8172.4-55.50000110.9R66 V75 K76 R77 R82 F83 L95R66-T79 PolarHBondContact NH2-OG1 3.31Å; V75-T79 PolarHBondContact O-N 3.29Å; V75-T79 PolarHBondContact O-OG1 2.85Å; K76-T79 WeakPolarHBondContact O-CB 3.36Å; K76-T79 PolarHBondContact O-N 3.08Å; R77-T79 VanDerWaalsContact C-N 3.31Å; R77-T79 PolarHBondContact O-N 3.46Å; T79-R82 PolarHBondContact O-N 2.9Å; T79-F83 HydrophobicContact CG2-CD2 4.36Å; T79-F83 HydrophobicContact CG2-CE2 3.82Å; T79-F83 HydrophobicContact CG2-CZ 4.11Å; T79-F83 PolarHBondContact O-N 3.24Å; T79-L95 HydrophobicContact CG2-CD2 3.92Å
80G96.6Very high94.9Very high0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-62.7-44.1174.100000112.9K76 R77 L78 R82 F83 E84 Y96K76-G80 PolarHBondContact O-N 3.1Å; R77-G80 WeakPolarHBondContact O-CA 3.44Å; R77-G80 PolarHBondContact O-N 3.27Å; R77-G80 VanDerWaalsContact O-N 3.11Å; L78-G80 VanDerWaalsContact C-N 3.29Å; L78-G80 PolarHBondContact O-N 3.25Å; G80-R82 VanDerWaalsContact C-N 3.25Å; G80-R82 PolarHBondContact O-N 2.91Å; G80-F83 WeakPolarHBondContact O-CA 3.47Å; G80-F83 WeakPolarHBondContact O-CB 3.44Å; G80-F83 PolarHBondContact O-N 3.1Å; G80-E84 WeakPolarHBondContact O-CG 3.43Å; G80-E84 PolarHBondContact O-N 3.09Å; G80-Y96 WeakPolarHBondContact CA-OH 3.43Å
81M95.5Very high95Very high25 Ų2554.4 Ų54.412%0.12327%0.274CS..Hα-helixtrans-59.2-38.8176.7-68.6176.862.100111.9I47 L50 R77 L78 E84 A85 Y96I47-M81 HydrophobicContact CG1-CE 4Å; I47-M81 HydrophobicContact CG2-CE 4.18Å; L50-M81 HydrophobicContact CD1-CB 3.99Å; R77-M81 PolarHBondContact NH1-SD 3.41Å; R77-M81 WeakPolarHBondContact O-CG 3.45Å; R77-M81 PolarHBondContact O-N 3.38Å; L78-M81 HydrophobicContact CD2-SD 4.02Å; L78-M81 PolarHBondContact O-N 3.34Å; M81-E84 WeakPolarHBondContact O-CB 3.02Å; M81-E84 PolarHBondContact O-N 3.34Å; M81-A85 PolarHBondContact O-N 3.38Å; M81-Y96 PolarHBondContact N-OH 3.21Å; M81-Y96 VanDerWaalsContact N-OH 3.16Å
82R96.8Very high95.3Very high38 Ų3851.8 Ų51.814%0.14325%0.247CC..Hα-helixtrans-66.8-40.1174.4175.5169.2-177.2-86.7-5.4111.9M46 L50 D55 L62 L78 T79 G80 E84 A85 M86M46-R82 HydrophobicContact CE-CB 3.85Å; L50-R82 HydrophobicContact CD1-CB 4.37Å; L50-R82 HydrophobicContact CD2-CB 4.11Å; L50-R82 HydrophobicContact CD2-CG 4.19Å; D55-R82 IonicContact OD1-CZ 3.51Å; D55-R82 IonicContact OD1-NE 3.35Å; D55-R82 PolarHBondContact OD1-NE 3.29Å; D55-R82 IonicContact OD1-NH2 3.09Å; D55-R82 PolarHBondContact OD1-NH2 3.36Å; D55-R82 IonicContact OD2-CZ 3.15Å; D55-R82 IonicContact OD2-NE 3.62Å; D55-R82 IonicContact OD2-NH2 3.29Å; D55-R82 PolarHBondContact OD2-NH2 2.79Å; L62-R82 HydrophobicContact CD2-CB 4.47Å; L78-R82 PolarHBondContact O-N 3.23Å; T79-R82 PolarHBondContact O-N 2.9Å; G80-R82 VanDerWaalsContact C-N 3.25Å; G80-R82 PolarHBondContact O-N 2.91Å; R82-E84 VanDerWaalsContact C-N 3.32Å; R82-E84 PolarHBondContact O-N 3.38Å; R82-A85 PolarHBondContact O-N 3.13Å; R82-M86 HydrophobicContact CB-CE 4.49Å; R82-M86 HydrophobicContact CG-CE 3.32Å; R82-M86 VanDerWaalsContact NH1-CE 3.28Å; R82-M86 VanDerWaalsContact O-CE 3.25Å; R82-M86 WeakPolarHBondContact O-CE 3.39Å; R82-M86 PolarHBondContact O-N 3.35Å; R82-M86 VanDerWaalsContact O-N 3.17Å
83F96.8Very high95.4Very high36 Ų3650.3 Ų50.316%0.15824%0.236CC..Hα-helixtrans-61.3-41.2172.2-70.5-39.8000112.2T79 G80 M86 E87 R88 D91 A92 L95T79-F83 HydrophobicContact CG2-CD2 4.36Å; T79-F83 HydrophobicContact CG2-CE2 3.82Å; T79-F83 HydrophobicContact CG2-CZ 4.11Å; T79-F83 PolarHBondContact O-N 3.24Å; G80-F83 WeakPolarHBondContact O-CA 3.47Å; G80-F83 WeakPolarHBondContact O-CB 3.44Å; G80-F83 PolarHBondContact O-N 3.1Å; F83-M86 HydrophobicContact CD1-CE 4.45Å; F83-M86 CarbonylContact O-C 3.49Å; F83-M86 PolarHBondContact O-N 3.24Å; F83-E87 PolarHBondContact O-N 2.97Å; F83-R88 HydrophobicContact CB-CB 4.17Å; F83-R88 HydrophobicContact CD1-CB 4.39Å; F83-R88 PolarHBondContact O-N 2.84Å; F83-D91 HydrophobicContact CD1-CB 4.36Å; F83-D91 HydrophobicContact CD2-CB 3.98Å; F83-D91 HydrophobicContact CE2-CB 4.17Å; F83-D91 HydrophobicContact CG-CB 4.09Å; F83-D91 HydrophobicContact CZ-CB 4.46Å; F83-A92 HydrophobicContact CB-CB 3.87Å; F83-L95 HydrophobicContact CD2-CD2 4.23Å; F83-L95 HydrophobicContact CE2-CD2 4.13Å
84E94.7Very high95.6Very high23 Ų2352.8 Ų52.811%0.10725%0.247CC..Hα-helixtrans-62.1-42175.4-68.8175-100.700112.5G80 M81 R82 M86 E87 A92 Y96 R112 I116G80-E84 WeakPolarHBondContact O-CG 3.43Å; G80-E84 PolarHBondContact O-N 3.09Å; M81-E84 WeakPolarHBondContact O-CB 3.02Å; M81-E84 PolarHBondContact O-N 3.34Å; R82-E84 VanDerWaalsContact C-N 3.32Å; R82-E84 PolarHBondContact O-N 3.38Å; E84-M86 PolarHBondContact O-N 3.48Å; E84-E87 PolarHBondContact O-N 3.19Å; E84-A92 HydrophobicContact CG-CB 3.82Å; E84-Y96 WeakPolarHBondContact OE1-CE2 3.47Å; E84-Y96 PolarHBondContact OE1-OH 3.32Å; E84-R112 IonicContact OE1-CZ 2.88Å; E84-R112 IonicContact OE1-NE 2.82Å; E84-R112 PolarHBondContact OE1-NE 3.47Å; E84-R112 IonicContact OE1-NH2 3.72Å; E84-R112 PolarHBondContact OE1-NH2 2.92Å; E84-R112 IonicContact OE2-CZ 2.72Å; E84-R112 IonicContact OE2-NE 3.9Å; E84-R112 PolarHBondContact OE2-NE 3.47Å; E84-R112 IonicContact OE2-NH2 3.97Å; E84-R112 PolarHBondContact OE2-NH2 3.32Å; E84-I116 HydrophobicContact CG-CD1 3.67Å; E84-I116 HydrophobicContact CG-CG1 3.72Å; E84-I116 WeakPolarHBondContact OE2-CG1 3.38Å
85A93.8Very high95.7Very high59 Ų5947 Ų4749%0.48823%0.226SC..Hα-helixtrans-64.4-25.7176.300000113L50 M81 R82 E87L50-A85 HydrophobicContact CB-CB 4.47Å; L50-A85 HydrophobicContact CD2-CB 3.94Å; M81-A85 PolarHBondContact O-N 3.38Å; R82-A85 PolarHBondContact O-N 3.13Å; A85-E87 VanDerWaalsContact C-N 3.34Å
86M94Very high95.7Very high65 Ų6546.6 Ų46.632%0.3222%0.224SC..THydrogen-bonded Turntrans-91.69.2172.5-76.5-177.6-88.200113.4R82 F83 E84 R88R82-M86 HydrophobicContact CB-CE 4.49Å; R82-M86 HydrophobicContact CG-CE 3.32Å; R82-M86 VanDerWaalsContact NH1-CE 3.28Å; R82-M86 VanDerWaalsContact O-CE 3.25Å; R82-M86 WeakPolarHBondContact O-CE 3.39Å; R82-M86 PolarHBondContact O-N 3.35Å; R82-M86 VanDerWaalsContact O-N 3.17Å; F83-M86 HydrophobicContact CD1-CE 4.45Å; F83-M86 CarbonylContact O-C 3.49Å; F83-M86 PolarHBondContact O-N 3.24Å; E84-M86 PolarHBondContact O-N 3.48Å; M86-R88 HydrophobicContact CB-CG 4.18Å; M86-R88 PolarHBondContact O-N 2.64Å
87E93.4Very high95.7Very high144 Ų14446.8 Ų46.867%0.67323%0.227SC*.THydrogen-bonded Turntrans57.819.1-176-55.1-178177.100114.2F83 E84 A85 Y89F83-E87 PolarHBondContact O-N 2.97Å; E84-E87 PolarHBondContact O-N 3.19Å; A85-E87 VanDerWaalsContact C-N 3.34Å; E87-Y89 HydrophobicContact CB-CE2 4.11Å; E87-Y89 PolarHBondContact O-N 2.81Å
88R95.7Very high95.7Very high112 Ų11250.5 Ų50.542%0.42324%0.241SC..  trans-82.660.8174.8-68.6177.459.3177.62110.5F83 M86 D90 D91 A92F83-R88 HydrophobicContact CB-CB 4.17Å; F83-R88 HydrophobicContact CD1-CB 4.39Å; F83-R88 PolarHBondContact O-N 2.84Å; M86-R88 HydrophobicContact CB-CG 4.18Å; M86-R88 PolarHBondContact O-N 2.64Å; R88-D90 PolarHBondContact O-N 2.81Å; R88-D91 HydrophobicContact CB-CB 4.35Å; R88-D91 IonicContact CZ-OD2 2.64Å; R88-D91 IonicContact NE-OD2 2.72Å; R88-D91 PolarHBondContact NE-OD2 3.31Å; R88-D91 IonicContact NH2-OD1 2.97Å; R88-D91 IonicContact NH2-OD2 3.93Å; R88-D91 PolarHBondContact NH2-OD2 2.94Å; R88-D91 PolarHBondContact O-N 3.22Å; R88-A92 PolarHBondContact O-N 3.14Å; R88-A92 VanDerWaalsContact O-N 3.11Å
89Y95.3Very high95.7Very high57 Ų5750.5 Ų50.522%0.22424%0.241CC..Hα-helixtrans-61.5-39.8-171.1-63.1-50.6000113.4E87 D91 A92 I93 I116 A119 Q120E87-Y89 HydrophobicContact CB-CE2 4.11Å; E87-Y89 PolarHBondContact O-N 2.81Å; Y89-D91 PolarHBondContact O-N 3.04Å; Y89-A92 WeakPolarHBondContact O-CB 3.29Å; Y89-A92 PolarHBondContact O-N 3.04Å; Y89-I93 VanDerWaalsContact O-CD1 3.25Å; Y89-I93 WeakPolarHBondContact O-CD1 3.27Å; Y89-I93 VanDerWaalsContact O-CG1 3.23Å; Y89-I93 WeakPolarHBondContact O-CG1 3.27Å; Y89-I93 PolarHBondContact O-N 3.35Å; Y89-I116 HydrophobicContact CD1-CG1 4.25Å; Y89-I116 HydrophobicContact CD1-CG2 3.75Å; Y89-I116 HydrophobicContact CG-CG2 3.94Å; Y89-A119 HydrophobicContact CE1-CB 4.43Å; Y89-Q120 VanDerWaalsContact CB-NE2 3.32Å; Y89-Q120 HydrophobicContact CD2-CG 3.82Å; Y89-Q120 HydrophobicContact CE2-CG 4.3Å; Y89-Q120 HydrophobicContact CG-CG 4.13Å
90D94.6Very high95.4Very high107 Ų10751.1 Ų51.157%0.57224%0.244SC*.Hα-helixtrans-64.2-40.5-179.5-65.6-31000112.1R88 I93 Q94R88-D90 PolarHBondContact O-N 2.81Å; D90-I93 PolarHBondContact O-N 2.82Å; D90-Q94 WeakPolarHBondContact O-CG 3.48Å; D90-Q94 PolarHBondContact O-N 3.09Å
91D96.1Very high95.3Very high54 Ų5458.6 Ų58.629%0.28928%0.279SS..Hα-helixtrans-65.3-40.7174.8-66.9-51000111.6F83 R88 Y89 L95F83-D91 HydrophobicContact CD1-CB 4.36Å; F83-D91 HydrophobicContact CD2-CB 3.98Å; F83-D91 HydrophobicContact CE2-CB 4.17Å; F83-D91 HydrophobicContact CG-CB 4.09Å; F83-D91 HydrophobicContact CZ-CB 4.46Å; R88-D91 HydrophobicContact CB-CB 4.35Å; R88-D91 IonicContact CZ-OD2 2.64Å; R88-D91 IonicContact NE-OD2 2.72Å; R88-D91 PolarHBondContact NE-OD2 3.31Å; R88-D91 IonicContact NH2-OD1 2.97Å; R88-D91 IonicContact NH2-OD2 3.93Å; R88-D91 PolarHBondContact NH2-OD2 2.94Å; R88-D91 PolarHBondContact O-N 3.22Å; Y89-D91 PolarHBondContact O-N 3.04Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.25Å
92A97.1Very high95.2Very high0 Ų062.7 Ų62.70%030%0.298CS..Hα-helixtrans-62.8-45.8176.200000111.3F83 E84 R88 Y89 L95 Y96 I116F83-A92 HydrophobicContact CB-CB 3.87Å; E84-A92 HydrophobicContact CG-CB 3.82Å; R88-A92 PolarHBondContact O-N 3.14Å; R88-A92 VanDerWaalsContact O-N 3.11Å; Y89-A92 WeakPolarHBondContact O-CB 3.29Å; Y89-A92 PolarHBondContact O-N 3.04Å; A92-L95 WeakPolarHBondContact O-CB 3.49Å; A92-L95 PolarHBondContact O-N 2.72Å; A92-Y96 HydrophobicContact CB-CD2 4.44Å; A92-Y96 HydrophobicContact CB-CE2 4.13Å; A92-Y96 WeakPolarHBondContact O-CD2 3.38Å; A92-Y96 PolarHBondContact O-N 2.88Å; A92-I116 HydrophobicContact CB-CD1 3.62Å
93I95.8Very high94.9Very high12 Ų1263.2 Ų63.26%0.06230%0.303CS..Hα-helixtrans-60.3-50.5177.2-69152.5000110.8Y89 D90 L95 Y96 D97 I116Y89-I93 VanDerWaalsContact O-CD1 3.25Å; Y89-I93 WeakPolarHBondContact O-CD1 3.27Å; Y89-I93 VanDerWaalsContact O-CG1 3.23Å; Y89-I93 WeakPolarHBondContact O-CG1 3.27Å; Y89-I93 PolarHBondContact O-N 3.35Å; D90-I93 PolarHBondContact O-N 2.82Å; I93-L95 PolarHBondContact O-N 3.1Å; I93-Y96 PolarHBondContact O-N 3.34Å; I93-Y96 VanDerWaalsContact O-N 3.1Å; I93-D97 WeakPolarHBondContact CG2-OD2 3.38Å; I93-D97 WeakPolarHBondContact O-CB 3.48Å; I93-D97 PolarHBondContact O-N 2.79Å; I93-I116 HydrophobicContact CD1-CG2 3.87Å; I93-I116 HydrophobicContact CG1-CD1 4.21Å; I93-I116 HydrophobicContact CG1-CG2 3.99Å
94Q96.3Very high94.5Very high116 Ų11665 Ų6554%0.54232%0.32SS..Hα-helixtrans-59.9-33.5178.5-72.1176.63200112.3D90 R98D90-Q94 WeakPolarHBondContact O-CG 3.48Å; D90-Q94 PolarHBondContact O-N 3.09Å; Q94-R98 WeakPolarHBondContact O-CG 3.25Å; Q94-R98 PolarHBondContact O-N 2.61Å; Q94-R98 PolarHBondContact O-NE 2.94Å
95L96.7Very high94.2Very high13 Ų1368.2 Ų68.27%0.06834%0.341CS..Hα-helixtrans-70.5-44.6174.8-176.461000111.7K76 T79 F83 D91 A92 I93 R98 I99K76-L95 HydrophobicContact CB-CD1 4.36Å; K76-L95 VanDerWaalsContact O-CD2 3.22Å; K76-L95 WeakPolarHBondContact O-CD2 3.49Å; T79-L95 HydrophobicContact CG2-CD2 3.92Å; F83-L95 HydrophobicContact CD2-CD2 4.23Å; F83-L95 HydrophobicContact CE2-CD2 4.13Å; D91-L95 WeakPolarHBondContact O-CB 3.47Å; D91-L95 PolarHBondContact O-N 3.25Å; A92-L95 WeakPolarHBondContact O-CB 3.49Å; A92-L95 PolarHBondContact O-N 2.72Å; I93-L95 PolarHBondContact O-N 3.1Å; L95-R98 PolarHBondContact O-N 3.23Å; L95-I99 WeakPolarHBondContact O-CG1 3.49Å; L95-I99 PolarHBondContact O-N 3.37Å; L95-I99 VanDerWaalsContact O-N 3.09Å
96Y96.9Very high94Very high0 Ų066.8 Ų66.80%033%0.326CS..Hα-helixtrans-66.7-36.8177.2-67.9-49.3000112.7R77 G80 M81 E84 A92 I93 R98 I99 L100 A109 R112 K113 I116R77-Y96 HydrophobicContact CG-CE1 4.21Å; R77-Y96 PolarHBondContact O-OH 2.97Å; G80-Y96 WeakPolarHBondContact CA-OH 3.43Å; M81-Y96 PolarHBondContact N-OH 3.21Å; M81-Y96 VanDerWaalsContact N-OH 3.16Å; E84-Y96 WeakPolarHBondContact OE1-CE2 3.47Å; E84-Y96 PolarHBondContact OE1-OH 3.32Å; A92-Y96 HydrophobicContact CB-CD2 4.44Å; A92-Y96 HydrophobicContact CB-CE2 4.13Å; A92-Y96 WeakPolarHBondContact O-CD2 3.38Å; A92-Y96 PolarHBondContact O-N 2.88Å; I93-Y96 PolarHBondContact O-N 3.34Å; I93-Y96 VanDerWaalsContact O-N 3.1Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3.11Å; Y96-I99 HydrophobicContact CD1-CD1 4.05Å; Y96-I99 HydrophobicContact CE1-CD1 4.48Å; Y96-I99 WeakPolarHBondContact O-CB 3.47Å; Y96-I99 PolarHBondContact O-N 2.98Å; Y96-L100 WeakPolarHBondContact O-CG 3.23Å; Y96-L100 PolarHBondContact O-N 3.24Å; Y96-A109 HydrophobicContact CD1-CB 3.94Å; Y96-R112 HydrophobicContact CD1-CB 4.37Å; Y96-R112 HydrophobicContact CD2-CB 4.02Å; Y96-R112 HydrophobicContact CE1-CB 3.93Å; Y96-R112 HydrophobicContact CE1-CG 4.18Å; Y96-R112 HydrophobicContact CE2-CB 3.5Å; Y96-R112 HydrophobicContact CE2-CG 4.35Å; Y96-R112 HydrophobicContact CG-CB 4.45Å; Y96-R112 VanDerWaalsContact CZ-CB 3.48Å; Y96-K113 HydrophobicContact CD2-CG 4.23Å; Y96-K113 HydrophobicContact CG-CG 4.21Å; Y96-I116 HydrophobicContact CD2-CD1 3.87Å; Y96-I116 HydrophobicContact CE2-CD1 3.76Å
97D95.1Very high93.8Very high53 Ų5366.2 Ų66.228%0.28333%0.326SS..Hα-helixtrans-61.6-42.4173.8-76.3-28.2000111.6I93 I99 L100 Q101 K113I93-D97 WeakPolarHBondContact CG2-OD2 3.38Å; I93-D97 WeakPolarHBondContact O-CB 3.48Å; I93-D97 PolarHBondContact O-N 2.79Å; D97-I99 VanDerWaalsContact C-N 3.34Å; D97-I99 PolarHBondContact O-N 3.4Å; D97-L100 CarbonylContact O-C 3.26Å; D97-L100 PolarHBondContact O-N 3.03Å; D97-Q101 VanDerWaalsContact O-CG 3.29Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.87Å; D97-K113 WeakPolarHBondContact OD1-CD 3.42Å; D97-K113 VanDerWaalsContact OD1-CE 3.23Å; D97-K113 WeakPolarHBondContact OD1-CE 3.17Å; D97-K113 IonicContact OD1-NZ 3.82Å; D97-K113 PolarHBondContact OD1-NZ 3.44Å
98R95.6Very high93.6Very high131 Ų13161.1 Ų61.149%0.49431%0.309SS..Hα-helixtrans-62.8-39.9173.6-75.2-177.8-70.5164.2-6.7112.4Q94 L95 Y96 L100 Q101 E102Q94-R98 WeakPolarHBondContact O-CG 3.25Å; Q94-R98 PolarHBondContact O-N 2.61Å; Q94-R98 PolarHBondContact O-NE 2.94Å; L95-R98 PolarHBondContact O-N 3.23Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3.11Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 2.93Å; R98-Q101 PolarHBondContact O-N 3.39Å; R98-E102 WeakPolarHBondContact O-CG 3.4Å; R98-E102 PolarHBondContact O-N 3.14Å; R98-E102 VanDerWaalsContact O-N 3.13Å
99I95Very high93.5Very high1 Ų155.8 Ų55.81%0.00529%0.288CS..Hα-helixtrans-60.8-43.3174-66.9169.9000110.3K76 L95 Y96 D97 E102 D103 N106 A109K76-I99 HydrophobicContact CB-CD1 3.69Å; K76-I99 HydrophobicContact CB-CG1 4.05Å; K76-I99 HydrophobicContact CD-CG1 4.1Å; L95-I99 WeakPolarHBondContact O-CG1 3.49Å; L95-I99 PolarHBondContact O-N 3.37Å; L95-I99 VanDerWaalsContact O-N 3.09Å; Y96-I99 HydrophobicContact CD1-CD1 4.05Å; Y96-I99 HydrophobicContact CE1-CD1 4.48Å; Y96-I99 WeakPolarHBondContact O-CB 3.47Å; Y96-I99 PolarHBondContact O-N 2.98Å; D97-I99 VanDerWaalsContact C-N 3.34Å; D97-I99 PolarHBondContact O-N 3.4Å; I99-E102 PolarHBondContact O-N 3.24Å; I99-D103 PolarHBondContact O-N 3Å; I99-N106 HydrophobicContact CG2-CB 4.05Å; I99-A109 HydrophobicContact CB-CB 4.13Å; I99-A109 HydrophobicContact CG2-CB 3.67Å
100L92.6Very high93.3Very high27 Ų2754.6 Ų54.614%0.14128%0.284CS..Hα-helixtrans-73.6-25.3-179.1-68.5168.8000113.6Y96 D97 R98 D103 S104 N106 A109 R110 K113Y96-L100 WeakPolarHBondContact O-CG 3.23Å; Y96-L100 PolarHBondContact O-N 3.24Å; D97-L100 CarbonylContact O-C 3.26Å; D97-L100 PolarHBondContact O-N 3.03Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 2.93Å; L100-D103 WeakPolarHBondContact CA-O 3.46Å; L100-D103 CarbonylContact O-C 3.54Å; L100-S104 VanDerWaalsContact O-CA 3.23Å; L100-S104 WeakPolarHBondContact O-CA 3.27Å; L100-S104 PolarHBondContact O-N 3.34Å; L100-S104 VanDerWaalsContact O-N 3.16Å; L100-N106 HydrophobicContact CD2-CB 4.19Å; L100-A109 HydrophobicContact CD2-CB 4.17Å; L100-A109 HydrophobicContact CG-CB 4.16Å; L100-R110 HydrophobicContact CD1-CB 4.47Å; L100-R110 HydrophobicContact CD2-CB 4.21Å; L100-K113 HydrophobicContact CD1-CD 3.65Å
101Q94.4Very high93.2Very high158 Ų15852.7 Ų52.774%0.73827%0.27SS*.Hα-helixtrans-69.9-37.6170.2-75.6171.20.700111.8D97 R98D97-Q101 VanDerWaalsContact O-CG 3.29Å; D97-Q101 WeakPolarHBondContact O-CG 3.49Å; D97-Q101 PolarHBondContact O-N 2.87Å; R98-Q101 PolarHBondContact O-N 3.39Å
102E93.4Very high93.1Very high111 Ų11153.5 Ų53.552%0.51927%0.269SS..Hα-helixtrans-76-40176-68.7169.9-16900111.7H73 K76 R98 I99H73-E102 IonicContact CE1-OE2 2.79Å; H73-E102 PolarHBondContact CE1-OE2 3.02Å; H73-E102 IonicContact ND1-OE2 2.87Å; H73-E102 IonicContact NE2-OE2 3.73Å; K76-E102 IonicContact NZ-OE1 2.97Å; K76-E102 PolarHBondContact NZ-OE1 3.19Å; K76-E102 IonicContact NZ-OE2 3.96Å; K76-E102 PolarHBondContact NZ-OE2 2.88Å; R98-E102 WeakPolarHBondContact O-CG 3.4Å; R98-E102 PolarHBondContact O-N 3.14Å; R98-E102 VanDerWaalsContact O-N 3.13Å; I99-E102 PolarHBondContact O-N 3.24Å
103D89.7Confident93Very high48 Ų4854.9 Ų54.926%0.25728%0.275SS..  trans-142.896.4179.9171.319.3000110.5I99 L100 T105 N106I99-D103 PolarHBondContact O-N 3Å; L100-D103 WeakPolarHBondContact CA-O 3.46Å; L100-D103 CarbonylContact O-C 3.54Å; D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CA 3.34Å; D103-T105 PolarHBondContact OD1-N 3.48Å; D103-T105 PolarHBondContact OD1-OG1 3.17Å; D103-N106 HydrophobicContact CB-CB 4.38Å; D103-N106 VanDerWaalsContact O-CB 3.3Å; D103-N106 WeakPolarHBondContact O-CB 3.44Å; D103-N106 PolarHBondContact O-N 3.12Å; D103-N106 PolarHBondContact OD1-N 3.12Å; D103-N106 WeakPolarHBondContact OD2-CB 3.48Å; D103-N106 PolarHBondContact OD2-ND2 3.18Å
104S88.5Confident92.9Very high75 Ų7554.7 Ų54.752%0.52427%0.274SS..THydrogen-bonded Turntrans-67.5-16.3-179.2620000113.9L100 N106 R110L100-S104 VanDerWaalsContact O-CA 3.23Å; L100-S104 WeakPolarHBondContact O-CA 3.27Å; L100-S104 PolarHBondContact O-N 3.34Å; L100-S104 VanDerWaalsContact O-N 3.16Å; S104-N106 VanDerWaalsContact C-N 3.33Å; S104-R110 PolarHBondContact O-NH2 3.37Å
105T87.4Confident92.7Very high89 Ų8951.1 Ų51.155%0.54626%0.264SS..THydrogen-bonded Turntrans-89.41.3179.170.80000113D103 T107D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CA 3.34Å; D103-T105 PolarHBondContact OD1-N 3.48Å; D103-T105 PolarHBondContact OD1-OG1 3.17Å; T105-T107 VanDerWaalsContact C-N 3.35Å; T105-T107 PolarHBondContact O-N 3.33Å
106N89.5Confident92.6Very high30 Ų3050.5 Ų50.516%0.1626%0.261CS..  trans-69.685.7179.6-156.1-67.9000112.3I99 L100 D103 S104 A108 A109 R110I99-N106 HydrophobicContact CG2-CB 4.05Å; L100-N106 HydrophobicContact CD2-CB 4.19Å; D103-N106 HydrophobicContact CB-CB 4.38Å; D103-N106 VanDerWaalsContact O-CB 3.3Å; D103-N106 WeakPolarHBondContact O-CB 3.44Å; D103-N106 PolarHBondContact O-N 3.12Å; D103-N106 PolarHBondContact OD1-N 3.12Å; D103-N106 WeakPolarHBondContact OD2-CB 3.48Å; D103-N106 PolarHBondContact OD2-ND2 3.18Å; S104-N106 VanDerWaalsContact C-N 3.33Å; N106-A108 PolarHBondContact O-N 3.14Å; N106-A109 HydrophobicContact CB-CB 4.21Å; N106-A109 PolarHBondContact O-N 3.36Å; N106-A109 WeakPolarHBondContact OD1-CB 3.23Å; N106-A109 PolarHBondContact OD1-N 3.02Å; N106-R110 PolarHBondContact O-N 3.28Å
107T89.9Confident92.4Very high52 Ų5251.7 Ų51.732%0.31927%0.266SS..Hα-helixtrans-59.6-35.6-178.6600000112.3T105 R110 K111 Y133 F137T105-T107 VanDerWaalsContact C-N 3.35Å; T105-T107 PolarHBondContact O-N 3.33Å; T107-R110 PolarHBondContact O-N 3.3Å; T107-K111 WeakPolarHBondContact O-CB 3.38Å; T107-K111 WeakPolarHBondContact O-CG 3.44Å; T107-K111 PolarHBondContact O-N 2.65Å; T107-Y133 HydrophobicContact CG2-CE2 3.92Å; T107-F137 HydrophobicContact CG2-CD1 3.95Å; T107-F137 HydrophobicContact CG2-CD2 4.19Å; T107-F137 HydrophobicContact CG2-CE1 3.52Å; T107-F137 HydrophobicContact CG2-CE2 3.79Å; T107-F137 HydrophobicContact CG2-CG 4.27Å; T107-F137 HydrophobicContact CG2-CZ 3.44Å; T107-F137 VanDerWaalsContact CG2-CZ 3.44Å
108A90.6Very high92.2Very high38 Ų3852.3 Ų52.331%0.31427%0.266SS..Hα-helixtrans-63.5-46.1179.100000112.2N106 R110 R112N106-A108 PolarHBondContact O-N 3.14Å; A108-R110 VanDerWaalsContact C-N 3.35Å; A108-R112 WeakPolarHBondContact O-CG 3.47Å; A108-R112 PolarHBondContact O-N 2.83Å; A108-R112 VanDerWaalsContact O-N 3.14Å
109A92.5Very high92Very high0 Ų049.1 Ų49.10%027%0.267CS..Hα-helixtrans-64.2-40.2175.800000111.8Y96 I99 L100 N106 R112 K113Y96-A109 HydrophobicContact CD1-CB 3.94Å; I99-A109 HydrophobicContact CB-CB 4.13Å; I99-A109 HydrophobicContact CG2-CB 3.67Å; L100-A109 HydrophobicContact CD2-CB 4.17Å; L100-A109 HydrophobicContact CG-CB 4.16Å; N106-A109 HydrophobicContact CB-CB 4.21Å; N106-A109 PolarHBondContact O-N 3.36Å; N106-A109 WeakPolarHBondContact OD1-CB 3.23Å; N106-A109 PolarHBondContact OD1-N 3.02Å; A109-R112 PolarHBondContact O-N 3.32Å; A109-K113 PolarHBondContact O-N 3.47Å; A109-K113 VanDerWaalsContact O-N 3.12Å
110R92.4Very high91.8Very high32 Ų3251.7 Ų51.712%0.12128%0.279CS..Hα-helixtrans-64.9-45.1177.7-155.7-177.9-61.6-160.76.7112.2L100 S104 N106 T107 A108 R112 K113 I114L100-R110 HydrophobicContact CD1-CB 4.47Å; L100-R110 HydrophobicContact CD2-CB 4.21Å; S104-R110 PolarHBondContact O-NH2 3.37Å; N106-R110 PolarHBondContact O-N 3.28Å; T107-R110 PolarHBondContact O-N 3.3Å; A108-R110 VanDerWaalsContact C-N 3.35Å; R110-R112 VanDerWaalsContact C-N 3.3Å; R110-R112 PolarHBondContact O-N 3.16Å; R110-K113 WeakPolarHBondContact O-CB 3.4Å; R110-K113 PolarHBondContact O-N 2.88Å; R110-I114 HydrophobicContact CG-CD1 4.48Å; R110-I114 PolarHBondContact O-N 3.34Å; R110-I114 VanDerWaalsContact O-N 3.12Å
111K92.1Very high91.7Very high66 Ų6652.9 Ų52.929%0.28730%0.298SS..Hα-helixtrans-58.3-39.2174.8-77.4-170.7172.9-169.40112.1T107 I114 A115 Y133 D140 E142T107-K111 WeakPolarHBondContact O-CB 3.38Å; T107-K111 WeakPolarHBondContact O-CG 3.44Å; T107-K111 PolarHBondContact O-N 2.65Å; K111-I114 PolarHBondContact O-N 2.92Å; K111-A115 WeakPolarHBondContact O-CB 3.47Å; K111-A115 PolarHBondContact O-N 2.95Å; K111-Y133 WeakPolarHBondContact CE-OH 3.47Å; K111-D140 WeakPolarHBondContact CE-OD2 2.88Å; K111-D140 IonicContact NZ-OD1 2.79Å; K111-D140 PolarHBondContact NZ-OD1 3.19Å; K111-D140 IonicContact NZ-OD2 2.72Å; K111-D140 PolarHBondContact NZ-OD2 2.96Å; K111-E142 IonicContact NZ-OE2 3.32Å; K111-E142 PolarHBondContact NZ-OE2 3.36Å; K111-E142 VanDerWaalsContact NZ-OE2 3.11Å
112R94.3Very high91.7Very high72 Ų7249.2 Ų49.227%0.27228%0.28SS..Hα-helixtrans-65.8-40.9175.8-66-59.3-69.4-174.6-6.3112.7E84 Y96 A108 A109 R110 I114 A115 I116E84-R112 IonicContact OE1-CZ 2.88Å; E84-R112 IonicContact OE1-NE 2.82Å; E84-R112 PolarHBondContact OE1-NE 3.47Å; E84-R112 IonicContact OE1-NH2 3.72Å; E84-R112 PolarHBondContact OE1-NH2 2.92Å; E84-R112 IonicContact OE2-CZ 2.72Å; E84-R112 IonicContact OE2-NE 3.9Å; E84-R112 PolarHBondContact OE2-NE 3.47Å; E84-R112 IonicContact OE2-NH2 3.97Å; E84-R112 PolarHBondContact OE2-NH2 3.32Å; Y96-R112 HydrophobicContact CD1-CB 4.37Å; Y96-R112 HydrophobicContact CD2-CB 4.02Å; Y96-R112 HydrophobicContact CE1-CB 3.93Å; Y96-R112 HydrophobicContact CE1-CG 4.18Å; Y96-R112 HydrophobicContact CE2-CB 3.5Å; Y96-R112 HydrophobicContact CE2-CG 4.35Å; Y96-R112 HydrophobicContact CG-CB 4.45Å; Y96-R112 VanDerWaalsContact CZ-CB 3.48Å; A108-R112 WeakPolarHBondContact O-CG 3.47Å; A108-R112 PolarHBondContact O-N 2.83Å; A108-R112 VanDerWaalsContact O-N 3.14Å; A109-R112 PolarHBondContact O-N 3.32Å; R110-R112 VanDerWaalsContact C-N 3.3Å; R110-R112 PolarHBondContact O-N 3.16Å; R112-I114 PolarHBondContact O-N 3.26Å; R112-A115 WeakPolarHBondContact O-CB 3.41Å; R112-A115 PolarHBondContact O-N 3.34Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.04Å
113K94.5Very high91.8Very high28 Ų2845.7 Ų45.712%0.12226%0.264CS..Hα-helixtrans-58.2-47.9173.4-75.5-175.861.4-173.80112.3Y96 D97 L100 A109 R110 A115 I116 R117Y96-K113 HydrophobicContact CD2-CG 4.23Å; Y96-K113 HydrophobicContact CG-CG 4.21Å; D97-K113 WeakPolarHBondContact OD1-CD 3.42Å; D97-K113 VanDerWaalsContact OD1-CE 3.23Å; D97-K113 WeakPolarHBondContact OD1-CE 3.17Å; D97-K113 IonicContact OD1-NZ 3.82Å; D97-K113 PolarHBondContact OD1-NZ 3.44Å; L100-K113 HydrophobicContact CD1-CD 3.65Å; A109-K113 PolarHBondContact O-N 3.47Å; A109-K113 VanDerWaalsContact O-N 3.12Å; R110-K113 WeakPolarHBondContact O-CB 3.4Å; R110-K113 PolarHBondContact O-N 2.88Å; K113-A115 VanDerWaalsContact C-N 3.3Å; K113-A115 PolarHBondContact O-N 2.89Å; K113-I116 WeakPolarHBondContact O-CB 3.44Å; K113-I116 PolarHBondContact O-N 3.12Å; K113-I116 VanDerWaalsContact O-N 3.14Å; K113-R117 WeakPolarHBondContact O-CG 3.45Å; K113-R117 PolarHBondContact O-N 3.39Å
114I93.1Very high92Very high9 Ų949.1 Ų49.15%0.04628%0.282CS..Hα-helixtrans-58.4-45.2176.9-68.1159.3000110.2R110 K111 R112 I116 R117 K118 E129 L130R110-I114 HydrophobicContact CG-CD1 4.48Å; R110-I114 PolarHBondContact O-N 3.34Å; R110-I114 VanDerWaalsContact O-N 3.12Å; K111-I114 PolarHBondContact O-N 2.92Å; R112-I114 PolarHBondContact O-N 3.26Å; I114-I116 VanDerWaalsContact C-N 3.32Å; I114-I116 PolarHBondContact O-N 3.15Å; I114-R117 WeakPolarHBondContact O-CB 3.09Å; I114-R117 PolarHBondContact O-N 2.95Å; I114-K118 HydrophobicContact CG2-CD 4.5Å; I114-K118 WeakPolarHBondContact O-CG 3.46Å; I114-K118 PolarHBondContact O-N 3.33Å; I114-E129 HydrophobicContact CD1-CB 4.46Å; I114-E129 HydrophobicContact CG1-CB 3.84Å; I114-L130 HydrophobicContact CD1-CD2 3.83Å; I114-L130 HydrophobicContact CD1-CG 3.88Å; I114-L130 HydrophobicContact CG1-CG 4.29Å; I114-L130 HydrophobicContact CG2-CD1 3.76Å; I114-L130 HydrophobicContact CG2-CD2 4.07Å; I114-L130 HydrophobicContact CG2-CG 3.63Å
115A92.3Very high92.4Very high40 Ų4049 Ų4933%0.33127%0.273SS..Hα-helixtrans-60-40176.800000112.6K111 R112 K113 K118 A119K111-A115 WeakPolarHBondContact O-CB 3.47Å; K111-A115 PolarHBondContact O-N 2.95Å; R112-A115 WeakPolarHBondContact O-CB 3.41Å; R112-A115 PolarHBondContact O-N 3.34Å; K113-A115 VanDerWaalsContact C-N 3.3Å; K113-A115 PolarHBondContact O-N 2.89Å; A115-K118 WeakPolarHBondContact O-CB 3.31Å; A115-K118 PolarHBondContact O-N 3.35Å; A115-A119 PolarHBondContact O-N 3.41Å
116I94.3Very high92.8Very high1 Ų144.7 Ų44.71%0.00525%0.247CC..Hα-helixtrans-62.8-46.1174-68.4165.5000110.9E84 Y89 A92 I93 Y96 R112 K113 I114 K118 A119 Q120E84-I116 HydrophobicContact CG-CD1 3.67Å; E84-I116 HydrophobicContact CG-CG1 3.72Å; E84-I116 WeakPolarHBondContact OE2-CG1 3.38Å; Y89-I116 HydrophobicContact CD1-CG1 4.25Å; Y89-I116 HydrophobicContact CD1-CG2 3.75Å; Y89-I116 HydrophobicContact CG-CG2 3.94Å; A92-I116 HydrophobicContact CB-CD1 3.62Å; I93-I116 HydrophobicContact CD1-CG2 3.87Å; I93-I116 HydrophobicContact CG1-CD1 4.21Å; I93-I116 HydrophobicContact CG1-CG2 3.99Å; Y96-I116 HydrophobicContact CD2-CD1 3.87Å; Y96-I116 HydrophobicContact CE2-CD1 3.76Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.04Å; K113-I116 WeakPolarHBondContact O-CB 3.44Å; K113-I116 PolarHBondContact O-N 3.12Å; K113-I116 VanDerWaalsContact O-N 3.14Å; I114-I116 VanDerWaalsContact C-N 3.32Å; I114-I116 PolarHBondContact O-N 3.15Å; I116-K118 VanDerWaalsContact C-N 3.26Å; I116-K118 PolarHBondContact O-N 3.37Å; I116-A119 PolarHBondContact O-N 3.48Å; I116-A119 VanDerWaalsContact O-N 3.11Å; I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CG 3.34Å; I116-Q120 PolarHBondContact O-N 3.33Å
117R93.7Very high93.2Very high25 Ų2544 Ų449%0.09424%0.243CC..Hα-helixtrans-57.1-43.2177.7-65.1-70.3174-118.41.1111.3K113 I114 Q120 G121 K122 E125 A126 E129K113-R117 WeakPolarHBondContact O-CG 3.45Å; K113-R117 PolarHBondContact O-N 3.39Å; I114-R117 WeakPolarHBondContact O-CB 3.09Å; I114-R117 PolarHBondContact O-N 2.95Å; R117-Q120 VanDerWaalsContact NH1-OE1 3.13Å; R117-Q120 PolarHBondContact O-N 2.55Å; R117-G121 PolarHBondContact O-N 3.44Å; R117-K122 HydrophobicContact CB-CB 4.47Å; R117-K122 WeakPolarHBondContact O-CB 3.5Å; R117-K122 PolarHBondContact O-N 3.19Å; R117-E125 VanDerWaalsContact CD-OE2 3.27Å; R117-E125 WeakPolarHBondContact CD-OE2 3.3Å; R117-E125 IonicContact CZ-OE2 3.49Å; R117-E125 IonicContact NE-OE2 3.99Å; R117-E125 PolarHBondContact NE-OE2 2.82Å; R117-A126 HydrophobicContact CB-CB 3.81Å; R117-E129 IonicContact NE-OE1 2.68Å; R117-E129 PolarHBondContact NE-OE1 3.42Å
118K91.4Very high93.5Very high66 Ų6648.5 Ų48.529%0.28725%0.254SS..Hα-helixtrans-61.2-47.3173.8-67.2-179.863.5-169.20112.2I114 A115 I116 Q120 G121 A126 E146 L150I114-K118 HydrophobicContact CG2-CD 4.5Å; I114-K118 WeakPolarHBondContact O-CG 3.46Å; I114-K118 PolarHBondContact O-N 3.33Å; A115-K118 WeakPolarHBondContact O-CB 3.31Å; A115-K118 PolarHBondContact O-N 3.35Å; I116-K118 VanDerWaalsContact C-N 3.26Å; I116-K118 PolarHBondContact O-N 3.37Å; K118-Q120 PolarHBondContact O-N 3.44Å; K118-G121 PolarHBondContact O-N 2.97Å; K118-A126 HydrophobicContact CG-CB 3.98Å; K118-E146 VanDerWaalsContact NZ-CD 3.27Å; K118-E146 IonicContact NZ-OE1 3.88Å; K118-E146 PolarHBondContact NZ-OE1 3.49Å; K118-E146 IonicContact NZ-OE2 3.22Å; K118-E146 PolarHBondContact NZ-OE2 3.27Å; K118-L150 HydrophobicContact CD-CD1 4.35Å; K118-L150 HydrophobicContact CG-CD1 4.34Å; K118-L150 HydrophobicContact CG-CD2 4.19Å
119A89.4Confident93.7Very high63 Ų6347.4 Ų47.452%0.52124%0.242SC..Hα-helixtrans-61.5-32.9178.800000112.6Y89 A115 I116 G121Y89-A119 HydrophobicContact CE1-CB 4.43Å; A115-A119 PolarHBondContact O-N 3.41Å; I116-A119 PolarHBondContact O-N 3.48Å; I116-A119 VanDerWaalsContact O-N 3.11Å; A119-G121 PolarHBondContact O-N 3.42Å
120Q91.3Very high93.9Very high56 Ų5647.6 Ų47.626%0.26224%0.244SC..THydrogen-bonded Turntrans-77.9-1.7174.3-66.9-178.2-46.200113.7Y89 I116 R117 K118 K122Y89-Q120 VanDerWaalsContact CB-NE2 3.32Å; Y89-Q120 HydrophobicContact CD2-CG 3.82Å; Y89-Q120 HydrophobicContact CE2-CG 4.3Å; Y89-Q120 HydrophobicContact CG-CG 4.13Å; I116-Q120 HydrophobicContact CG2-CG 4.27Å; I116-Q120 WeakPolarHBondContact O-CG 3.34Å; I116-Q120 PolarHBondContact O-N 3.33Å; R117-Q120 VanDerWaalsContact NH1-OE1 3.13Å; R117-Q120 PolarHBondContact O-N 2.55Å; K118-Q120 PolarHBondContact O-N 3.44Å; Q120-K122 HydrophobicContact CB-CD 4.13Å; Q120-K122 HydrophobicContact CB-CG 4Å; Q120-K122 PolarHBondContact O-N 2.79Å
121G91.4Very high94.1Very high52 Ų5248.8 Ų48.854%0.53625%0.252SS..THydrogen-bonded Turntrans7014.1-174.200000114.2R117 K118 A119 N123R117-G121 PolarHBondContact O-N 3.44Å; K118-G121 PolarHBondContact O-N 2.97Å; A119-G121 PolarHBondContact O-N 3.42Å; G121-N123 PolarHBondContact O-N 2.88Å
122K94.7Very high94.2Very high81 Ų8149.7 Ų49.735%0.35226%0.257SS..  trans-85.360.1-180-64179.4169.3-166.40110.9R117 Q120 L124 E125 A126R117-K122 HydrophobicContact CB-CB 4.47Å; R117-K122 WeakPolarHBondContact O-CB 3.5Å; R117-K122 PolarHBondContact O-N 3.19Å; Q120-K122 HydrophobicContact CB-CD 4.13Å; Q120-K122 HydrophobicContact CB-CG 4Å; Q120-K122 PolarHBondContact O-N 2.79Å; K122-L124 PolarHBondContact O-N 2.83Å; K122-E125 HydrophobicContact CB-CB 4.23Å; K122-E125 HydrophobicContact CB-CG 4.42Å; K122-E125 IonicContact NZ-OE1 3.1Å; K122-E125 PolarHBondContact O-N 3.47Å; K122-A126 PolarHBondContact O-N 3.43Å
123N94.1Very high94.2Very high37 Ų3746.5 Ų46.520%0.19825%0.245CC..Hα-helixtrans-58-43-172.2-66.8-16000113.1G121 E125 A126 I127 L150 E154G121-N123 PolarHBondContact O-N 2.88Å; N123-E125 VanDerWaalsContact C-N 3.34Å; N123-E125 PolarHBondContact O-N 2.87Å; N123-A126 WeakPolarHBondContact O-CB 3.47Å; N123-A126 PolarHBondContact O-N 3.32Å; N123-I127 VanDerWaalsContact O-CG1 3.31Å; N123-I127 WeakPolarHBondContact O-CG1 3.4Å; N123-I127 PolarHBondContact O-N 3.18Å; N123-L150 HydrophobicContact CB-CD2 4.11Å; N123-E154 HydrophobicContact CB-CG 4.07Å; N123-E154 WeakPolarHBondContact CB-OE1 3.39Å; N123-E154 PolarHBondContact ND2-OE1 3.23Å
124L95.6Very high94.2Very high120 Ų12045.6 Ų45.663%0.62824%0.242SC*.Hα-helixtrans-63.4-38.4179.5-63.3178.8000112.7K122 R128 E154K122-L124 PolarHBondContact O-N 2.83Å; L124-R128 PolarHBondContact O-N 3.28Å; L124-R128 VanDerWaalsContact O-N 3.09Å; L124-E154 HydrophobicContact CD2-CG 4.27Å
125E95.4Very high94.3Very high71 Ų7152.7 Ų52.733%0.33228%0.275SS..Hα-helixtrans-67.3-42.9174.3-67178.2-147.900110.6R117 K122 N123 I127 R128 E129R117-E125 VanDerWaalsContact CD-OE2 3.27Å; R117-E125 WeakPolarHBondContact CD-OE2 3.3Å; R117-E125 IonicContact CZ-OE2 3.49Å; R117-E125 IonicContact NE-OE2 3.99Å; R117-E125 PolarHBondContact NE-OE2 2.82Å; K122-E125 HydrophobicContact CB-CB 4.23Å; K122-E125 HydrophobicContact CB-CG 4.42Å; K122-E125 IonicContact NZ-OE1 3.1Å; K122-E125 PolarHBondContact O-N 3.47Å; N123-E125 VanDerWaalsContact C-N 3.34Å; N123-E125 PolarHBondContact O-N 2.87Å; E125-I127 VanDerWaalsContact C-N 3.35Å; E125-I127 PolarHBondContact O-N 2.97Å; E125-R128 PolarHBondContact O-N 3.27Å; E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.39Å
126A96.4Very high94.2Very high0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-60.9-42.3176.200000112.1R117 K118 K122 N123 E129 L130 L150R117-A126 HydrophobicContact CB-CB 3.81Å; K118-A126 HydrophobicContact CG-CB 3.98Å; K122-A126 PolarHBondContact O-N 3.43Å; N123-A126 WeakPolarHBondContact O-CB 3.47Å; N123-A126 PolarHBondContact O-N 3.32Å; A126-E129 PolarHBondContact O-N 3.33Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.09Å; A126-L150 HydrophobicContact CB-CD1 3.85Å
127I97.9Very high94Very high16 Ų1658.9 Ų58.98%0.08230%0.296CS..Hα-helixtrans-59.6-47.7175-74.8168.3000110.6N123 E125 L130 N131 L147 L150 Y151 E154N123-I127 VanDerWaalsContact O-CG1 3.31Å; N123-I127 WeakPolarHBondContact O-CG1 3.4Å; N123-I127 PolarHBondContact O-N 3.18Å; E125-I127 VanDerWaalsContact C-N 3.35Å; E125-I127 PolarHBondContact O-N 2.97Å; I127-L130 PolarHBondContact O-N 2.99Å; I127-N131 PolarHBondContact O-N 3.45Å; I127-N131 PolarHBondContact O-ND2 2.65Å; I127-L147 HydrophobicContact CB-CD1 4.34Å; I127-L147 HydrophobicContact CG1-CD1 4.21Å; I127-L147 HydrophobicContact CG2-CD1 4.12Å; I127-L150 HydrophobicContact CD1-CB 4.06Å; I127-L150 HydrophobicContact CG1-CB 3.66Å; I127-L150 HydrophobicContact CG1-CD1 4.15Å; I127-L150 HydrophobicContact CG1-CG 4.45Å; I127-Y151 HydrophobicContact CD1-CD1 3.94Å; I127-Y151 HydrophobicContact CD1-CE1 4.01Å; I127-Y151 HydrophobicContact CG1-CE1 4.36Å; I127-Y151 HydrophobicContact CG2-CD1 4.46Å; I127-Y151 HydrophobicContact CG2-CE1 3.54Å; I127-Y151 WeakPolarHBondContact CG2-OH 3.38Å; I127-E154 HydrophobicContact CD1-CB 4.39Å; I127-E154 HydrophobicContact CD1-CG 3.73Å
128R96.9Very high94Very high145 Ų14562.3 Ų62.355%0.54732%0.32SS..Hα-helixtrans-60.6-49.9178.7-173.7-171.364.5-179.2-3111L124 E125 L130 N131 E132L124-R128 PolarHBondContact O-N 3.28Å; L124-R128 VanDerWaalsContact O-N 3.09Å; E125-R128 PolarHBondContact O-N 3.27Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.19Å; R128-N131 PolarHBondContact O-N 3.2Å; R128-E132 IonicContact NE-OE1 3.45Å; R128-E132 WeakPolarHBondContact O-CG 2.89Å; R128-E132 PolarHBondContact O-N 3.39Å; R128-E132 VanDerWaalsContact O-N 3.07Å
129E94.6Very high94.1Very high15 Ų1562.2 Ų62.27%0.0734%0.337CS..Hα-helixtrans-63.5-34.4-179.9-70.3-174.2-166.500112.5I114 R117 E125 A126 Y133I114-E129 HydrophobicContact CD1-CB 4.46Å; I114-E129 HydrophobicContact CG1-CB 3.84Å; R117-E129 IonicContact NE-OE1 2.68Å; R117-E129 PolarHBondContact NE-OE1 3.42Å; E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 3.39Å; A126-E129 PolarHBondContact O-N 3.33Å; E129-Y133 WeakPolarHBondContact O-CB 2.84Å; E129-Y133 PolarHBondContact O-N 3.01Å
130L96.1Very high94.3Very high5 Ų560.5 Ų60.53%0.02632%0.319CS..Hα-helixtrans-69.5-39.3174.3-87.4163.9000113.1I114 A126 I127 R128 Y133 L134 A143 E146 L147 L150I114-L130 HydrophobicContact CD1-CD2 3.83Å; I114-L130 HydrophobicContact CD1-CG 3.88Å; I114-L130 HydrophobicContact CG1-CG 4.29Å; I114-L130 HydrophobicContact CG2-CD1 3.76Å; I114-L130 HydrophobicContact CG2-CD2 4.07Å; I114-L130 HydrophobicContact CG2-CG 3.63Å; A126-L130 WeakPolarHBondContact O-CB 3.45Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.09Å; I127-L130 PolarHBondContact O-N 2.99Å; R128-L130 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 3.19Å; L130-Y133 WeakPolarHBondContact O-CB 3.3Å; L130-Y133 PolarHBondContact O-N 3.03Å; L130-L134 WeakPolarHBondContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.58Å; L130-A143 HydrophobicContact CD2-CB 3.98Å; L130-E146 HydrophobicContact CD1-CB 4.39Å; L130-L147 HydrophobicContact CB-CB 4.49Å; L130-L147 HydrophobicContact CB-CD1 3.98Å; L130-L147 HydrophobicContact CD1-CB 4.3Å; L130-L147 HydrophobicContact CD1-CD1 4.38Å; L130-L150 HydrophobicContact CD1-CD1 3.41Å; L130-L150 VanDerWaalsContact CD1-CD1 3.41Å
131N97.1Very high94.4Very high56 Ų5661.2 Ų61.230%0.29932%0.323SS..Hα-helixtrans-62.4-49174.3-80.6-76.4000110.6I127 R128 Y133 L134 E135 Y151I127-N131 PolarHBondContact O-N 3.45Å; I127-N131 PolarHBondContact O-ND2 2.65Å; R128-N131 PolarHBondContact O-N 3.2Å; N131-Y133 PolarHBondContact O-N 2.68Å; N131-L134 PolarHBondContact O-N 3.49Å; N131-L134 VanDerWaalsContact O-N 3.12Å; N131-E135 WeakPolarHBondContact O-CG 3.49Å; N131-E135 PolarHBondContact O-N 3.01Å; N131-Y151 PolarHBondContact ND2-OH 2.8Å
132E93.9Very high94.5Very high85 Ų8565 Ų6540%0.39733%0.327SS..Hα-helixtrans-58.9-32.3175.6-69.2171.6-165.900112.6R128R128-E132 IonicContact NE-OE1 3.45Å; R128-E132 WeakPolarHBondContact O-CG 2.89Å; R128-E132 PolarHBondContact O-N 3.39Å; R128-E132 VanDerWaalsContact O-N 3.07Å
133Y93.8Very high94.5Very high5 Ų561.4 Ų61.42%0.0231%0.311CS..Hα-helixtrans-70.3-48.6173.5175.2-107.7000112.1T107 K111 E129 L130 N131 E135 Q136 F137 D140 A143T107-Y133 HydrophobicContact CG2-CE2 3.92Å; K111-Y133 WeakPolarHBondContact CE-OH 3.47Å; E129-Y133 WeakPolarHBondContact O-CB 2.84Å; E129-Y133 PolarHBondContact O-N 3.01Å; L130-Y133 WeakPolarHBondContact O-CB 3.3Å; L130-Y133 PolarHBondContact O-N 3.03Å; N131-Y133 PolarHBondContact O-N 2.68Å; Y133-E135 VanDerWaalsContact C-N 3.27Å; Y133-E135 PolarHBondContact O-N 3.48Å; Y133-Q136 PolarHBondContact O-N 3.08Å; Y133-F137 HydrophobicContact CD2-CB 4.45Å; Y133-F137 AromaticContact CD2-CD2 3.39Å; Y133-F137 HydrophobicContact CD2-CD2 3.39Å; Y133-F137 AromaticContact CD2-CE2 3.99Å; Y133-F137 HydrophobicContact CD2-CE2 3.99Å; Y133-F137 HydrophobicContact CD2-CG 4.25Å; Y133-F137 HydrophobicContact CE1-CB 4.08Å; Y133-F137 HydrophobicContact CE2-CB 4Å; Y133-F137 AromaticContact CE2-CD2 3.21Å; Y133-F137 HydrophobicContact CE2-CD2 3.21Å; Y133-F137 AromaticContact CE2-CE2 3.82Å; Y133-F137 HydrophobicContact CE2-CE2 3.82Å; Y133-F137 AromaticContact CE2-CG 3.74Å; Y133-F137 HydrophobicContact CE2-CG 3.74Å; Y133-F137 HydrophobicContact CG-CD2 4.27Å; Y133-F137 AromaticContact CZ-CD2 3.92Å; Y133-F137 AromaticContact CZ-CG 3.98Å; Y133-F137 WeakPolarHBondContact O-CD2 3.4Å; Y133-F137 PolarHBondContact O-N 3.29Å; Y133-D140 HydrophobicContact CE1-CB 3.93Å; Y133-D140 WeakPolarHBondContact CE1-OD2 3.36Å; Y133-D140 PolarHBondContact OH-OD2 3.05Å; Y133-A143 HydrophobicContact CD1-CB 3.73Å; Y133-A143 HydrophobicContact CE1-CB 3.53Å
134L95.3Very high94.7Very high9 Ų961 Ų615%0.04731%0.307CS..Hα-helixtrans-69.3-23.1-177.5-75.5169.8000113.2L130 N131 Q136 V138 A143 W144 L147L130-L134 WeakPolarHBondContact O-CB 3.26Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.58Å; N131-L134 PolarHBondContact O-N 3.49Å; N131-L134 VanDerWaalsContact O-N 3.12Å; L134-Q136 PolarHBondContact O-N 3.22Å; L134-V138 WeakPolarHBondContact O-CA 3.37Å; L134-V138 PolarHBondContact O-N 3.11Å; L134-V138 VanDerWaalsContact O-N 3.13Å; L134-A143 HydrophobicContact CD2-CB 3.73Å; L134-A143 HydrophobicContact CG-CB 4.15Å; L134-W144 HydrophobicContact CB-CZ2 4.48Å; L134-W144 HydrophobicContact CD1-CD2 3.78Å; L134-W144 HydrophobicContact CD1-CE3 3.86Å; L134-W144 HydrophobicContact CD1-CG 4.21Å; L134-W144 HydrophobicContact CD1-CH2 4.43Å; L134-W144 HydrophobicContact CD1-CZ2 4.36Å; L134-W144 HydrophobicContact CD1-CZ3 4.19Å; L134-W144 HydrophobicContact CD2-CD2 4.16Å; L134-W144 HydrophobicContact CD2-CG 4.05Å; L134-L147 HydrophobicContact CD1-CB 4.34Å; L134-L147 HydrophobicContact CD1-CD2 3.68Å
135E94.1Very high94.8Very high159 Ų15957.3 Ų57.374%0.74329%0.287SS*.THydrogen-bonded Turntrans-58.1-32.1167.6-76.4175.6-17100112.6N131 Y133N131-E135 WeakPolarHBondContact O-CG 3.49Å; N131-E135 PolarHBondContact O-N 3.01Å; Y133-E135 VanDerWaalsContact C-N 3.27Å; Y133-E135 PolarHBondContact O-N 3.48Å
136Q91.3Very high94.8Very high110 Ų11057.2 Ų57.251%0.51429%0.286SS..THydrogen-bonded Turntrans-98-32.5-179.3-61.2174.522.300112Y133 L134Y133-Q136 PolarHBondContact O-N 3.08Å; L134-Q136 PolarHBondContact O-N 3.22Å
137F90.4Very high94.9Very high61 Ų6157.2 Ų57.227%0.26829%0.286SS..  trans-126.252.5-171.4-57.3-79.5000112.1T107 Y133 G139 D140T107-F137 HydrophobicContact CG2-CD1 3.95Å; T107-F137 HydrophobicContact CG2-CD2 4.19Å; T107-F137 HydrophobicContact CG2-CE1 3.52Å; T107-F137 HydrophobicContact CG2-CE2 3.79Å; T107-F137 HydrophobicContact CG2-CG 4.27Å; T107-F137 HydrophobicContact CG2-CZ 3.44Å; T107-F137 VanDerWaalsContact CG2-CZ 3.44Å; Y133-F137 HydrophobicContact CD2-CB 4.45Å; Y133-F137 AromaticContact CD2-CD2 3.39Å; Y133-F137 HydrophobicContact CD2-CD2 3.39Å; Y133-F137 AromaticContact CD2-CE2 3.99Å; Y133-F137 HydrophobicContact CD2-CE2 3.99Å; Y133-F137 HydrophobicContact CD2-CG 4.25Å; Y133-F137 HydrophobicContact CE1-CB 4.08Å; Y133-F137 HydrophobicContact CE2-CB 4Å; Y133-F137 AromaticContact CE2-CD2 3.21Å; Y133-F137 HydrophobicContact CE2-CD2 3.21Å; Y133-F137 AromaticContact CE2-CE2 3.82Å; Y133-F137 HydrophobicContact CE2-CE2 3.82Å; Y133-F137 AromaticContact CE2-CG 3.74Å; Y133-F137 HydrophobicContact CE2-CG 3.74Å; Y133-F137 HydrophobicContact CG-CD2 4.27Å; Y133-F137 AromaticContact CZ-CD2 3.92Å; Y133-F137 AromaticContact CZ-CG 3.98Å; Y133-F137 WeakPolarHBondContact O-CD2 3.4Å; Y133-F137 PolarHBondContact O-N 3.29Å; F137-G139 PolarHBondContact O-N 3.46Å; F137-D140 WeakPolarHBondContact O-CB 3.2Å; F137-D140 PolarHBondContact O-N 3.33Å
138V93.1Very high94.9Very high97 Ų9756.6 Ų56.659%0.58828%0.283SS*.THydrogen-bonded Turntrans-54.8-25-175.769.50000114.7L134 D140 W144L134-V138 WeakPolarHBondContact O-CA 3.37Å; L134-V138 PolarHBondContact O-N 3.11Å; L134-V138 VanDerWaalsContact O-N 3.13Å; V138-D140 VanDerWaalsContact C-N 3.29Å; V138-D140 PolarHBondContact O-N 3.23Å; V138-W144 HydrophobicContact CG2-CZ2 4.22Å; V138-W144 PolarHBondContact O-NE1 3.45Å
139G92.6Very high94.9Very high63 Ų6353.2 Ų53.265%0.64927%0.274SS*.THydrogen-bonded Turntrans-79.2-4.3178.700000115.1F137 Q141F137-G139 PolarHBondContact O-N 3.46Å; G139-Q141 PolarHBondContact O-N 3.44Å; G139-Q141 VanDerWaalsContact O-N 3.13Å
140D94.3Very high95Very high27 Ų2752.5 Ų52.514%0.14427%0.271CS..  trans-79.595.9-177.9-166.6-28000111.5K111 Y133 F137 V138 E142 A143 W144K111-D140 WeakPolarHBondContact CE-OD2 2.88Å; K111-D140 IonicContact NZ-OD1 2.79Å; K111-D140 PolarHBondContact NZ-OD1 3.19Å; K111-D140 IonicContact NZ-OD2 2.72Å; K111-D140 PolarHBondContact NZ-OD2 2.96Å; Y133-D140 HydrophobicContact CE1-CB 3.93Å; Y133-D140 WeakPolarHBondContact CE1-OD2 3.36Å; Y133-D140 PolarHBondContact OH-OD2 3.05Å; F137-D140 WeakPolarHBondContact O-CB 3.2Å; F137-D140 PolarHBondContact O-N 3.33Å; V138-D140 VanDerWaalsContact C-N 3.29Å; V138-D140 PolarHBondContact O-N 3.23Å; D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.45Å; D140-E142 PolarHBondContact OD1-N 3.24Å; D140-A143 HydrophobicContact CB-CB 4.04Å; D140-A143 PolarHBondContact O-N 3.08Å; D140-A143 PolarHBondContact OD1-N 3.43Å; D140-W144 VanDerWaalsContact O-CD1 3.32Å; D140-W144 PolarHBondContact O-N 3.31Å; D140-W144 VanDerWaalsContact O-N 3.16Å
141Q94.6Very high95.1Very high71 Ų7153.2 Ų53.233%0.33227%0.273SS..Hα-helixtrans-65.1-34.4-177.3-58.2178.38.900112.7G139 A143 W144 H145 L167 N171G139-Q141 PolarHBondContact O-N 3.44Å; G139-Q141 VanDerWaalsContact O-N 3.13Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.04Å; Q141-W144 PolarHBondContact O-N 3.42Å; Q141-H145 WeakPolarHBondContact O-CB 3.31Å; Q141-H145 PolarHBondContact O-N 2.94Å; Q141-L167 HydrophobicContact CB-CD2 3.98Å; Q141-L167 WeakPolarHBondContact O-CD2 3.43Å; Q141-N171 PolarHBondContact NE2-ND2 3.01Å; Q141-N171 PolarHBondContact OE1-ND2 3.03Å; Q141-N171 PolarHBondContact OE1-OD1 3.39Å
142E92.8Very high95.1Very high133 Ų13353.1 Ų53.162%0.62127%0.272SS*.Hα-helixtrans-64.2-42.7177.3-64.2177.3162.600110K111 D140 W144 H145 E146K111-E142 IonicContact NZ-OE2 3.32Å; K111-E142 PolarHBondContact NZ-OE2 3.36Å; K111-E142 VanDerWaalsContact NZ-OE2 3.11Å; D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.45Å; D140-E142 PolarHBondContact OD1-N 3.24Å; E142-W144 PolarHBondContact O-N 2.98Å; E142-H145 PolarHBondContact O-N 3.48Å; E142-E146 WeakPolarHBondContact O-CB 3.48Å; E142-E146 WeakPolarHBondContact O-CG 3.47Å; E142-E146 PolarHBondContact O-N 3.15Å
143A95.2Very high95.2Very high4 Ų453.5 Ų53.53%0.03328%0.277CS..Hα-helixtrans-66-37.6178.300000113L130 Y133 L134 D140 Q141 H145 L147L130-A143 HydrophobicContact CD2-CB 3.98Å; Y133-A143 HydrophobicContact CD1-CB 3.73Å; Y133-A143 HydrophobicContact CE1-CB 3.53Å; L134-A143 HydrophobicContact CD2-CB 3.73Å; L134-A143 HydrophobicContact CG-CB 4.15Å; D140-A143 HydrophobicContact CB-CB 4.04Å; D140-A143 PolarHBondContact O-N 3.08Å; D140-A143 PolarHBondContact OD1-N 3.43Å; Q141-A143 VanDerWaalsContact C-N 3.32Å; Q141-A143 PolarHBondContact O-N 3.04Å; A143-H145 VanDerWaalsContact C-N 3.35Å; A143-L147 WeakPolarHBondContact O-CB 3.42Å; A143-L147 PolarHBondContact O-N 3.19Å
144W97.8Very high95.4Very high29 Ų2956.8 Ų56.811%0.1129%0.292CS..Hα-helixtrans-62.5-41.5172.3-82.8113.2000112.7L134 V138 D140 Q141 E142 L147 A148 F162 C163 E166 L167L134-W144 HydrophobicContact CB-CZ2 4.48Å; L134-W144 HydrophobicContact CD1-CD2 3.78Å; L134-W144 HydrophobicContact CD1-CE3 3.86Å; L134-W144 HydrophobicContact CD1-CG 4.21Å; L134-W144 HydrophobicContact CD1-CH2 4.43Å; L134-W144 HydrophobicContact CD1-CZ2 4.36Å; L134-W144 HydrophobicContact CD1-CZ3 4.19Å; L134-W144 HydrophobicContact CD2-CD2 4.16Å; L134-W144 HydrophobicContact CD2-CG 4.05Å; V138-W144 HydrophobicContact CG2-CZ2 4.22Å; V138-W144 PolarHBondContact O-NE1 3.45Å; D140-W144 VanDerWaalsContact O-CD1 3.32Å; D140-W144 PolarHBondContact O-N 3.31Å; D140-W144 VanDerWaalsContact O-N 3.16Å; Q141-W144 PolarHBondContact O-N 3.42Å; E142-W144 PolarHBondContact O-N 2.98Å; W144-L147 HydrophobicContact CE3-CD2 4.48Å; W144-L147 HydrophobicContact CZ3-CD2 4.37Å; W144-L147 PolarHBondContact O-N 3.49Å; W144-A148 PolarHBondContact O-N 2.76Å; W144-F162 AromaticContact CH2-CE1 3.94Å; W144-F162 HydrophobicContact CH2-CE1 3.94Å; W144-F162 HydrophobicContact CZ3-CD1 4.28Å; W144-F162 HydrophobicContact CZ3-CE1 4.05Å; W144-C163 HydrophobicContact CE3-CB 3.89Å; W144-C163 HydrophobicContact CZ3-CB 4.34Å; W144-E166 HydrophobicContact CD2-CB 4.11Å; W144-E166 HydrophobicContact CD2-CG 4.39Å; W144-E166 HydrophobicContact CE3-CB 4.35Å; W144-E166 HydrophobicContact CE3-CG 4.34Å; W144-E166 HydrophobicContact CH2-CG 4.03Å; W144-E166 HydrophobicContact CZ2-CG 4.06Å; W144-E166 HydrophobicContact CZ3-CG 4.17Å; W144-L167 HydrophobicContact CB-CD1 4.39Å; W144-L167 HydrophobicContact CB-CD2 3.79Å; W144-L167 HydrophobicContact CB-CG 3.95Å
145H96.9Very high95.5Very high43 Ų4362.4 Ų62.420%0.19932%0.318CS..Hα-helixtrans-66.2-44.9178.3-170.9-100.5000111.5Q141 E142 A143 L147 A148 E149 L167 Y177 Q180Q141-H145 WeakPolarHBondContact O-CB 3.31Å; Q141-H145 PolarHBondContact O-N 2.94Å; E142-H145 PolarHBondContact O-N 3.48Å; A143-H145 VanDerWaalsContact C-N 3.35Å; H145-L147 VanDerWaalsContact C-N 3.34Å; H145-L147 PolarHBondContact O-N 3.25Å; H145-A148 WeakPolarHBondContact O-CB 3.34Å; H145-A148 PolarHBondContact O-N 2.91Å; H145-A148 VanDerWaalsContact O-N 3.15Å; H145-E149 IonicContact CE1-OE1 2.76Å; H145-E149 PolarHBondContact CE1-OE1 3.11Å; H145-E149 IonicContact ND1-OE1 3.11Å; H145-E149 PolarHBondContact O-N 3.32Å; H145-L167 HydrophobicContact CB-CD1 3.86Å; H145-Y177 AromaticContact CD2-CE1 3.63Å; H145-Q180 PolarHBondContact NE2-NE2 2.94Å; H145-Q180 PolarHBondContact NE2-OE1 3.42Å
146E95.9Very high95.7Very high68 Ų6857.1 Ų57.132%0.31830%0.295SS..Hα-helixtrans-61-40.4175.2-72.4-73.1-157.600112.8K118 L130 E142 E149 L150K118-E146 VanDerWaalsContact NZ-CD 3.27Å; K118-E146 IonicContact NZ-OE1 3.88Å; K118-E146 PolarHBondContact NZ-OE1 3.49Å; K118-E146 IonicContact NZ-OE2 3.22Å; K118-E146 PolarHBondContact NZ-OE2 3.27Å; L130-E146 HydrophobicContact CD1-CB 4.39Å; E142-E146 WeakPolarHBondContact O-CB 3.48Å; E142-E146 WeakPolarHBondContact O-CG 3.47Å; E142-E146 PolarHBondContact O-N 3.15Å; E146-E149 PolarHBondContact O-N 3.04Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 2.86Å; E146-L150 VanDerWaalsContact O-N 3.08Å
147L97.9Very high96.1Very high1 Ų155 Ų551%0.00528%0.282CS..Hα-helixtrans-66.3-38.7175.3-176.762.7000111.6I127 L130 L134 A143 W144 H145 L150 Y151I127-L147 HydrophobicContact CB-CD1 4.34Å; I127-L147 HydrophobicContact CG1-CD1 4.21Å; I127-L147 HydrophobicContact CG2-CD1 4.12Å; L130-L147 HydrophobicContact CB-CB 4.49Å; L130-L147 HydrophobicContact CB-CD1 3.98Å; L130-L147 HydrophobicContact CD1-CB 4.3Å; L130-L147 HydrophobicContact CD1-CD1 4.38Å; L134-L147 HydrophobicContact CD1-CB 4.34Å; L134-L147 HydrophobicContact CD1-CD2 3.68Å; A143-L147 WeakPolarHBondContact O-CB 3.42Å; A143-L147 PolarHBondContact O-N 3.19Å; W144-L147 HydrophobicContact CE3-CD2 4.48Å; W144-L147 HydrophobicContact CZ3-CD2 4.37Å; W144-L147 PolarHBondContact O-N 3.49Å; H145-L147 VanDerWaalsContact C-N 3.34Å; H145-L147 PolarHBondContact O-N 3.25Å; L147-L150 PolarHBondContact O-N 3.05Å; L147-Y151 HydrophobicContact CD1-CD2 4.05Å; L147-Y151 HydrophobicContact CD1-CE2 3.55Å; L147-Y151 HydrophobicContact CD2-CE2 3.86Å; L147-Y151 HydrophobicContact CG-CD2 3.85Å; L147-Y151 HydrophobicContact CG-CE2 3.49Å; L147-Y151 VanDerWaalsContact CG-CE2 3.49Å; L147-Y151 VanDerWaalsContact O-CD2 3.31Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 2.97Å
148A98.2Very high96.5Very high2 Ų254.9 Ų54.92%0.01729%0.293CS..Hα-helixtrans-61-45.517500000111.7W144 H145 L150 Y151 I152 C163 L164W144-A148 PolarHBondContact O-N 2.76Å; H145-A148 WeakPolarHBondContact O-CB 3.34Å; H145-A148 PolarHBondContact O-N 2.91Å; H145-A148 VanDerWaalsContact O-N 3.15Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3Å; A148-Y151 PolarHBondContact O-N 2.58Å; A148-I152 VanDerWaalsContact O-CG1 3.3Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.25Å; A148-C163 HydrophobicContact CB-CB 3.66Å; A148-L164 HydrophobicContact CB-CD2 4.41Å; A148-L164 HydrophobicContact CB-CG 4.07Å
149E96.8Very high96.7Very high74 Ų7455 Ų5535%0.34629%0.286SS..Hα-helixtrans-61.8-41.8177.1-70.1-167.7169.600112.1H145 E146 I152 N153H145-E149 IonicContact CE1-OE1 2.76Å; H145-E149 PolarHBondContact CE1-OE1 3.11Å; H145-E149 IonicContact ND1-OE1 3.11Å; H145-E149 PolarHBondContact O-N 3.32Å; E146-E149 PolarHBondContact O-N 3.04Å; E149-I152 WeakPolarHBondContact O-CB 3.03Å; E149-I152 PolarHBondContact O-N 2.99Å; E149-N153 VanDerWaalsContact O-CG 3.24Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 2.91Å
150L97.1Very high97Very high1 Ų152 Ų521%0.00526%0.255CS..Hα-helixtrans-63.4-42.4176.1-75.7169000112.4K118 N123 A126 I127 L130 E146 L147 A148 I152 N153 E154K118-L150 HydrophobicContact CD-CD1 4.35Å; K118-L150 HydrophobicContact CG-CD1 4.34Å; K118-L150 HydrophobicContact CG-CD2 4.19Å; N123-L150 HydrophobicContact CB-CD2 4.11Å; A126-L150 HydrophobicContact CB-CD1 3.85Å; I127-L150 HydrophobicContact CD1-CB 4.06Å; I127-L150 HydrophobicContact CG1-CB 3.66Å; I127-L150 HydrophobicContact CG1-CD1 4.15Å; I127-L150 HydrophobicContact CG1-CG 4.45Å; L130-L150 HydrophobicContact CD1-CD1 3.41Å; L130-L150 VanDerWaalsContact CD1-CD1 3.41Å; E146-L150 WeakPolarHBondContact O-CG 3.46Å; E146-L150 PolarHBondContact O-N 2.86Å; E146-L150 VanDerWaalsContact O-N 3.08Å; L147-L150 PolarHBondContact O-N 3.05Å; A148-L150 VanDerWaalsContact C-N 3.35Å; A148-L150 PolarHBondContact O-N 3Å; L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.07Å; L150-N153 PolarHBondContact O-N 3.28Å; L150-E154 WeakPolarHBondContact O-CG 3.4Å; L150-E154 PolarHBondContact O-N 3.02Å
151Y98.6Very high97.2Very high19 Ų1950.8 Ų50.88%0.07525%0.248CC..Hα-helixtrans-65.4-33.7174.7-77.1-47.8000113.1I127 N131 L147 A148 E154 H155 D156 K159I127-Y151 HydrophobicContact CD1-CD1 3.94Å; I127-Y151 HydrophobicContact CD1-CE1 4.01Å; I127-Y151 HydrophobicContact CG1-CE1 4.36Å; I127-Y151 HydrophobicContact CG2-CD1 4.46Å; I127-Y151 HydrophobicContact CG2-CE1 3.54Å; I127-Y151 WeakPolarHBondContact CG2-OH 3.38Å; N131-Y151 PolarHBondContact ND2-OH 2.8Å; L147-Y151 HydrophobicContact CD1-CD2 4.05Å; L147-Y151 HydrophobicContact CD1-CE2 3.55Å; L147-Y151 HydrophobicContact CD2-CE2 3.86Å; L147-Y151 HydrophobicContact CG-CD2 3.85Å; L147-Y151 HydrophobicContact CG-CE2 3.49Å; L147-Y151 VanDerWaalsContact CG-CE2 3.49Å; L147-Y151 VanDerWaalsContact O-CD2 3.31Å; L147-Y151 WeakPolarHBondContact O-CD2 3.44Å; L147-Y151 PolarHBondContact O-N 2.97Å; A148-Y151 PolarHBondContact O-N 2.58Å; Y151-E154 CarbonylContact O-C 3.16Å; Y151-E154 PolarHBondContact O-N 3.37Å; Y151-H155 PolarHBondContact O-N 3.35Å; Y151-D156 HydrophobicContact CD1-CB 3.94Å; Y151-D156 PolarHBondContact O-N 3.45Å; Y151-K159 HydrophobicContact CD1-CB 3.89Å; Y151-K159 HydrophobicContact CD1-CD 4.17Å; Y151-K159 HydrophobicContact CD2-CB 3.55Å; Y151-K159 HydrophobicContact CE1-CB 3.95Å; Y151-K159 HydrophobicContact CE1-CD 3.52Å; Y151-K159 HydrophobicContact CE1-CG 4.4Å; Y151-K159 HydrophobicContact CE2-CB 3.58Å; Y151-K159 HydrophobicContact CE2-CD 4.14Å; Y151-K159 HydrophobicContact CE2-CG 4.49Å; Y151-K159 HydrophobicContact CG-CB 3.72Å
152I97.7Very high97.4Very high54 Ų5452.3 Ų52.328%0.27725%0.254SS..Hα-helixtrans-63.1-44.8172.2-69.5166.1000110.5A148 E149 L150 E154 H155 A160 V184A148-I152 VanDerWaalsContact O-CG1 3.3Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.25Å; E149-I152 WeakPolarHBondContact O-CB 3.03Å; E149-I152 PolarHBondContact O-N 2.99Å; L150-I152 VanDerWaalsContact C-N 3.31Å; L150-I152 PolarHBondContact O-N 3.07Å; I152-E154 VanDerWaalsContact C-N 3.31Å; I152-E154 PolarHBondContact O-N 3.12Å; I152-H155 PolarHBondContact O-N 2.88Å; I152-H155 PolarHBondContact O-ND1 3.38Å; I152-A160 HydrophobicContact CG1-CB 3.71Å; I152-V184 HydrophobicContact CD1-CG2 3.83Å; I152-V184 HydrophobicContact CG1-CG2 4.01Å
153N95.9Very high97.7Very high93 Ų9346 Ų4650%0.49723%0.225SC..Hα-helixtrans-63.4-36.6178.9-68.4-23000112.2E149 L150 H155E149-N153 VanDerWaalsContact O-CG 3.24Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 2.91Å; L150-N153 PolarHBondContact O-N 3.28Å; N153-H155 VanDerWaalsContact C-N 3.26Å; N153-H155 PolarHBondContact O-CE1 3.01Å; N153-H155 PolarHBondContact O-N 2.96Å
154E97.4Very high97.8Very high74 Ų7445.9 Ų45.935%0.34622%0.223SC..THydrogen-bonded Turntrans-85.96.2174.8-62.8-58.1126.300113.6N123 L124 I127 L150 Y151 I152 D156N123-E154 HydrophobicContact CB-CG 4.07Å; N123-E154 WeakPolarHBondContact CB-OE1 3.39Å; N123-E154 PolarHBondContact ND2-OE1 3.23Å; L124-E154 HydrophobicContact CD2-CG 4.27Å; I127-E154 HydrophobicContact CD1-CB 4.39Å; I127-E154 HydrophobicContact CD1-CG 3.73Å; L150-E154 WeakPolarHBondContact O-CG 3.4Å; L150-E154 PolarHBondContact O-N 3.02Å; Y151-E154 CarbonylContact O-C 3.16Å; Y151-E154 PolarHBondContact O-N 3.37Å; I152-E154 VanDerWaalsContact C-N 3.31Å; I152-E154 PolarHBondContact O-N 3.12Å; E154-D156 PolarHBondContact O-N 2.87Å; E154-D156 VanDerWaalsContact O-N 3.11Å
155H97.6Very high97.8Very high128 Ų12847.6 Ų47.659%0.59323%0.233SC*.THydrogen-bonded Turntrans60.916.8178.9-45.8-35.9000115Y151 I152 N153 Y157Y151-H155 PolarHBondContact O-N 3.35Å; I152-H155 PolarHBondContact O-N 2.88Å; I152-H155 PolarHBondContact O-ND1 3.38Å; N153-H155 VanDerWaalsContact C-N 3.26Å; N153-H155 PolarHBondContact O-CE1 3.01Å; N153-H155 PolarHBondContact O-N 2.96Å; H155-Y157 HydrophobicContact CB-CE2 4.09Å; H155-Y157 PolarHBondContact ND1-OH 3.47Å; H155-Y157 WeakPolarHBondContact O-CD2 3.23Å; H155-Y157 PolarHBondContact O-N 3.15Å
156D98.3Very high97.9Very high47 Ų4747.9 Ų47.925%0.25123%0.234SC..  trans-84.368.4171.4-164.7-22.8000110Y151 E154 A158 K159 A160Y151-D156 HydrophobicContact CD1-CB 3.94Å; Y151-D156 PolarHBondContact O-N 3.45Å; E154-D156 PolarHBondContact O-N 2.87Å; E154-D156 VanDerWaalsContact O-N 3.11Å; D156-A158 PolarHBondContact O-N 2.8Å; D156-A158 VanDerWaalsContact O-N 3.15Å; D156-K159 PolarHBondContact O-N 3.22Å; D156-K159 WeakPolarHBondContact OD1-CG 3.28Å; D156-K159 PolarHBondContact OD1-N 3.18Å; D156-K159 VanDerWaalsContact OD2-CD 3.22Å; D156-K159 WeakPolarHBondContact OD2-CD 3.39Å; D156-K159 VanDerWaalsContact OD2-CE 3.28Å; D156-K159 WeakPolarHBondContact OD2-CE 3.35Å; D156-K159 IonicContact OD2-NZ 2.75Å; D156-K159 PolarHBondContact OD2-NZ 3.36Å; D156-A160 PolarHBondContact O-N 3.44Å
157Y98.5Very high98Very high65 Ų6544.7 Ų44.726%0.25522%0.219SC..Hα-helixtrans-62.1-24-175.5-55.2-57.6000113.3H155 A161 V184 T187 Q188H155-Y157 HydrophobicContact CB-CE2 4.09Å; H155-Y157 PolarHBondContact ND1-OH 3.47Å; H155-Y157 WeakPolarHBondContact O-CD2 3.23Å; H155-Y157 PolarHBondContact O-N 3.15Å; Y157-A161 WeakPolarHBondContact O-CB 3.35Å; Y157-A161 PolarHBondContact O-N 3.48Å; Y157-V184 WeakPolarHBondContact O-CG1 3.36Å; Y157-T187 HydrophobicContact CD1-CG2 4.17Å; Y157-T187 HydrophobicContact CD2-CG2 4.17Å; Y157-T187 HydrophobicContact CE1-CG2 3.74Å; Y157-T187 HydrophobicContact CE2-CG2 3.73Å; Y157-T187 HydrophobicContact CG-CG2 4.38Å; Y157-T187 VanDerWaalsContact CZ-CG2 3.49Å; Y157-Q188 HydrophobicContact CG-CG 4.39Å; Y157-Q188 PolarHBondContact O-NE2 2.79Å
158A98.4Very high97.9Very high60 Ų6045.5 Ų45.550%0.49622%0.223SC..Hα-helixtrans-68.3-48.1177.400000111.1D156 A161 F162 Q188D156-A158 PolarHBondContact O-N 2.8Å; D156-A158 VanDerWaalsContact O-N 3.15Å; A158-A161 PolarHBondContact O-N 3.2Å; A158-F162 PolarHBondContact O-N 3.34Å; A158-Q188 VanDerWaalsContact CA-NE2 3.3Å
159K98.6Very high97.8Very high99 Ų9951.4 Ų51.443%0.4325%0.252SS..Hα-helixtrans-70.6-36.2176.1-65-173.1-168.6127.50112.3Y151 D156 A161 F162 C163Y151-K159 HydrophobicContact CD1-CB 3.89Å; Y151-K159 HydrophobicContact CD1-CD 4.17Å; Y151-K159 HydrophobicContact CD2-CB 3.55Å; Y151-K159 HydrophobicContact CE1-CB 3.95Å; Y151-K159 HydrophobicContact CE1-CD 3.52Å; Y151-K159 HydrophobicContact CE1-CG 4.4Å; Y151-K159 HydrophobicContact CE2-CB 3.58Å; Y151-K159 HydrophobicContact CE2-CD 4.14Å; Y151-K159 HydrophobicContact CE2-CG 4.49Å; Y151-K159 HydrophobicContact CG-CB 3.72Å; D156-K159 PolarHBondContact O-N 3.22Å; D156-K159 WeakPolarHBondContact OD1-CG 3.28Å; D156-K159 PolarHBondContact OD1-N 3.18Å; D156-K159 VanDerWaalsContact OD2-CD 3.22Å; D156-K159 WeakPolarHBondContact OD2-CD 3.39Å; D156-K159 VanDerWaalsContact OD2-CE 3.28Å; D156-K159 WeakPolarHBondContact OD2-CE 3.35Å; D156-K159 IonicContact OD2-NZ 2.75Å; D156-K159 PolarHBondContact OD2-NZ 3.36Å; K159-A161 VanDerWaalsContact C-N 3.3Å; K159-A161 PolarHBondContact O-N 2.94Å; K159-F162 WeakPolarHBondContact O-CB 3.46Å; K159-F162 PolarHBondContact O-N 2.97Å; K159-C163 PolarHBondContact O-N 2.85Å; K159-C163 PolarHBondContact O-SG 2.97Å
160A98.7Very high97.7Very high0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-57.7-43.517200000112.3I152 D156 F162 C163 L164 V184I152-A160 HydrophobicContact CG1-CB 3.71Å; D156-A160 PolarHBondContact O-N 3.44Å; A160-F162 VanDerWaalsContact C-N 3.33Å; A160-F162 PolarHBondContact O-N 3.19Å; A160-C163 PolarHBondContact O-N 2.68Å; A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 2.77Å; A160-L164 VanDerWaalsContact O-N 3.08Å; A160-V184 HydrophobicContact CB-CG1 4.27Å; A160-V184 HydrophobicContact CB-CG2 4.44Å
161A98.6Very high97.6Very high1 Ų153.5 Ų53.51%0.00827%0.269CS..Hα-helixtrans-62.4-40.5177.100000112Y157 A158 K159 L164 E165 Y181 V184 K185Y157-A161 WeakPolarHBondContact O-CB 3.35Å; Y157-A161 PolarHBondContact O-N 3.48Å; A158-A161 PolarHBondContact O-N 3.2Å; K159-A161 VanDerWaalsContact C-N 3.3Å; K159-A161 PolarHBondContact O-N 2.94Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-E165 WeakPolarHBondContact O-CG 3.48Å; A161-E165 PolarHBondContact O-N 3Å; A161-Y181 HydrophobicContact CB-CD2 4.34Å; A161-Y181 HydrophobicContact CB-CE2 3.97Å; A161-V184 HydrophobicContact CB-CG1 3.91Å; A161-K185 HydrophobicContact CB-CD 4.44Å
162F98.5Very high97.5Very high103 Ų10356 Ų5645%0.45229%0.287SS..Hα-helixtrans-60.8-47.6175.6177.6-96.4000111.8W144 A158 K159 A160 L164 E165 E166W144-F162 AromaticContact CH2-CE1 3.94Å; W144-F162 HydrophobicContact CH2-CE1 3.94Å; W144-F162 HydrophobicContact CZ3-CD1 4.28Å; W144-F162 HydrophobicContact CZ3-CE1 4.05Å; A158-F162 PolarHBondContact O-N 3.34Å; K159-F162 WeakPolarHBondContact O-CB 3.46Å; K159-F162 PolarHBondContact O-N 2.97Å; A160-F162 VanDerWaalsContact C-N 3.33Å; A160-F162 PolarHBondContact O-N 3.19Å; F162-L164 VanDerWaalsContact C-N 3.27Å; F162-L164 PolarHBondContact O-N 3.36Å; F162-E165 WeakPolarHBondContact O-CB 3.5Å; F162-E165 PolarHBondContact O-N 3.08Å; F162-E165 VanDerWaalsContact O-N 3.08Å; F162-E166 HydrophobicContact CE1-CG 4.34Å; F162-E166 HydrophobicContact CZ-CG 4.45Å; F162-E166 PolarHBondContact O-N 2.99Å
163C98.5Very high97.3Very high1 Ų161 Ų611%0.00731%0.309CS..Hα-helixtrans-58.7-39.4176-62.20000112.4W144 A148 K159 A160 E165 E166 L167W144-C163 HydrophobicContact CE3-CB 3.89Å; W144-C163 HydrophobicContact CZ3-CB 4.34Å; A148-C163 HydrophobicContact CB-CB 3.66Å; K159-C163 PolarHBondContact O-N 2.85Å; K159-C163 PolarHBondContact O-SG 2.97Å; A160-C163 PolarHBondContact O-N 2.68Å; C163-E165 VanDerWaalsContact C-N 3.35Å; C163-E166 PolarHBondContact O-N 3.21Å; C163-L167 WeakPolarHBondContact O-CG 3.43Å; C163-L167 PolarHBondContact O-N 3.16Å
164L98.5Very high97.3Very high1 Ų158.7 Ų58.71%0.00530%0.297CS..Hα-helixtrans-71-28.1177.2-72.4162.9000112.9A148 A160 A161 F162 L167 M168 Q180 Y181 V184A148-L164 HydrophobicContact CB-CD2 4.41Å; A148-L164 HydrophobicContact CB-CG 4.07Å; A160-L164 WeakPolarHBondContact O-CG 3.37Å; A160-L164 PolarHBondContact O-N 2.77Å; A160-L164 VanDerWaalsContact O-N 3.08Å; A161-L164 PolarHBondContact O-N 3.47Å; F162-L164 VanDerWaalsContact C-N 3.27Å; F162-L164 PolarHBondContact O-N 3.36Å; L164-L167 HydrophobicContact CD2-CD1 4.17Å; L164-L167 PolarHBondContact O-N 3.43Å; L164-M168 WeakPolarHBondContact O-CG 3.34Å; L164-M168 PolarHBondContact O-N 3.47Å; L164-Q180 HydrophobicContact CD1-CB 4.17Å; L164-Q180 HydrophobicContact CD2-CB 3.87Å; L164-Y181 HydrophobicContact CB-CD2 3.96Å; L164-V184 HydrophobicContact CD1-CB 4.41Å; L164-V184 HydrophobicContact CD1-CG2 3.73Å
165E98.1Very high97.3Very high65 Ų6557.2 Ų57.230%0.30429%0.29SS..Hα-helixtrans-64.2-46.3172.1-75.5161.8-174.900110.9A161 F162 C163 L167 M168 M169 Y181A161-E165 WeakPolarHBondContact O-CG 3.48Å; A161-E165 PolarHBondContact O-N 3Å; F162-E165 WeakPolarHBondContact O-CB 3.5Å; F162-E165 PolarHBondContact O-N 3.08Å; F162-E165 VanDerWaalsContact O-N 3.08Å; C163-E165 VanDerWaalsContact C-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.2Å; E165-M168 HydrophobicContact CG-CE 4.16Å; E165-M168 PolarHBondContact O-N 3.13Å; E165-M168 VanDerWaalsContact O-N 3.16Å; E165-M169 WeakPolarHBondContact O-CG 3.32Å; E165-M169 PolarHBondContact O-N 3.25Å; E165-Y181 HydrophobicContact CG-CD2 4.19Å; E165-Y181 HydrophobicContact CG-CE2 3.45Å; E165-Y181 VanDerWaalsContact CG-CE2 3.45Å; E165-Y181 WeakPolarHBondContact OE1-CE2 3.36Å; E165-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E165-Y181 PolarHBondContact OE1-OH 3.12Å
166E97.6Very high97.3Very high50 Ų5054.9 Ų54.923%0.23428%0.281CS..Hα-helixtrans-56.7-43.1174.4-65.3-58140.300112.1W144 F162 C163 M169 T170W144-E166 HydrophobicContact CD2-CB 4.11Å; W144-E166 HydrophobicContact CD2-CG 4.39Å; W144-E166 HydrophobicContact CE3-CB 4.35Å; W144-E166 HydrophobicContact CE3-CG 4.34Å; W144-E166 HydrophobicContact CH2-CG 4.03Å; W144-E166 HydrophobicContact CZ2-CG 4.06Å; W144-E166 HydrophobicContact CZ3-CG 4.17Å; F162-E166 HydrophobicContact CE1-CG 4.34Å; F162-E166 HydrophobicContact CZ-CG 4.45Å; F162-E166 PolarHBondContact O-N 2.99Å; C163-E166 PolarHBondContact O-N 3.21Å; E166-M169 HydrophobicContact CG-CE 4.41Å; E166-M169 PolarHBondContact O-N 3.02Å; E166-M169 WeakPolarHBondContact OE1-CE 3.44Å; E166-M169 WeakPolarHBondContact OE2-CE 3.34Å; E166-T170 PolarHBondContact O-N 3.39Å; E166-T170 VanDerWaalsContact O-N 3.14Å; E166-T170 PolarHBondContact O-OG1 3.15Å
167L97.6Very high97.3Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-65.6-39.9176.6-70.8171.4000113.3Q141 W144 H145 C163 L164 E165 T170 N171 Y177Q141-L167 HydrophobicContact CB-CD2 3.98Å; Q141-L167 WeakPolarHBondContact O-CD2 3.43Å; W144-L167 HydrophobicContact CB-CD1 4.39Å; W144-L167 HydrophobicContact CB-CD2 3.79Å; W144-L167 HydrophobicContact CB-CG 3.95Å; H145-L167 HydrophobicContact CB-CD1 3.86Å; C163-L167 WeakPolarHBondContact O-CG 3.43Å; C163-L167 PolarHBondContact O-N 3.16Å; L164-L167 HydrophobicContact CD2-CD1 4.17Å; L164-L167 PolarHBondContact O-N 3.43Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.2Å; L167-T170 PolarHBondContact O-OG1 3.34Å; L167-T170 VanDerWaalsContact O-OG1 3.07Å; L167-N171 WeakPolarHBondContact O-CB 3.42Å; L167-N171 PolarHBondContact O-N 2.99Å; L167-N171 PolarHBondContact O-ND2 3.19Å; L167-Y177 HydrophobicContact CB-CD1 4.27Å; L167-Y177 HydrophobicContact CB-CD2 3.74Å; L167-Y177 HydrophobicContact CB-CE1 4.45Å; L167-Y177 HydrophobicContact CB-CE2 3.92Å; L167-Y177 HydrophobicContact CB-CG 3.93Å; L167-Y177 HydrophobicContact CD1-CD1 4.15Å; L167-Y177 HydrophobicContact CD1-CE1 4.03Å; L167-Y177 HydrophobicContact CD2-CE2 4.21Å
168M97.1Very high97.3Very high19 Ų1951.2 Ų51.29%0.09426%0.264CS..Hα-helixtrans-70.3-35.1177.1-75-172.3-63.800112.3L164 E165 T170 N171 P172 C178 Y181 Y200L164-M168 WeakPolarHBondContact O-CG 3.34Å; L164-M168 PolarHBondContact O-N 3.47Å; E165-M168 HydrophobicContact CG-CE 4.16Å; E165-M168 PolarHBondContact O-N 3.13Å; E165-M168 VanDerWaalsContact O-N 3.16Å; M168-T170 VanDerWaalsContact C-N 3.34Å; M168-N171 CarbonylContact O-C 3.48Å; M168-N171 PolarHBondContact O-N 3.22Å; M168-P172 VanDerWaalsContact O-CA 3.26Å; M168-P172 WeakPolarHBondContact O-CA 3.47Å; M168-P172 VanDerWaalsContact O-N 3.16Å; M168-C178 HydrophobicContact SD-CB 4.42Å; M168-Y181 HydrophobicContact CE-CD1 3.75Å; M168-Y181 HydrophobicContact CE-CD2 3.53Å; M168-Y181 HydrophobicContact CE-CE1 4.17Å; M168-Y181 HydrophobicContact CE-CE2 3.97Å; M168-Y181 HydrophobicContact CE-CG 3.37Å; M168-Y181 HydrophobicContact SD-CD1 4.44Å; M168-Y181 HydrophobicContact SD-CG 4.18Å; M168-Y200 HydrophobicContact CE-CD1 4.35Å; M168-Y200 HydrophobicContact CE-CE1 3.81Å; M168-Y200 HydrophobicContact SD-CD1 3.82Å; M168-Y200 HydrophobicContact SD-CE1 3.62Å
169M95.8Very high97.3Very high126 Ų12648.9 Ų48.962%0.62124%0.243SC*.Hα-helixtrans-65.1-40.2176.2-73-168.7-65.700111.5E165 E166E165-M169 WeakPolarHBondContact O-CG 3.32Å; E165-M169 PolarHBondContact O-N 3.25Å; E166-M169 HydrophobicContact CG-CE 4.41Å; E166-M169 PolarHBondContact O-N 3.02Å; E166-M169 WeakPolarHBondContact OE1-CE 3.44Å; E166-M169 WeakPolarHBondContact OE2-CE 3.34Å
170T95.1Very high97.3Very high77 Ų7746 Ų4647%0.47223%0.232SC..Hα-helixtrans-78.8-28.4178520000113.2E166 L167 M168E166-T170 PolarHBondContact O-N 3.39Å; E166-T170 VanDerWaalsContact O-N 3.14Å; E166-T170 PolarHBondContact O-OG1 3.15Å; L167-T170 PolarHBondContact O-OG1 3.34Å; L167-T170 VanDerWaalsContact O-OG1 3.07Å; M168-T170 VanDerWaalsContact C-N 3.34Å
171N94.8Very high97.3Very high42 Ų4246.4 Ų46.423%0.22523%0.233CC..  trans-132.469-178-60.4-86.8000112.4Q141 L167 M168 H173 N174 Y177Q141-N171 PolarHBondContact NE2-ND2 3.01Å; Q141-N171 PolarHBondContact OE1-ND2 3.03Å; Q141-N171 PolarHBondContact OE1-OD1 3.39Å; L167-N171 WeakPolarHBondContact O-CB 3.42Å; L167-N171 PolarHBondContact O-N 2.99Å; L167-N171 PolarHBondContact O-ND2 3.19Å; M168-N171 CarbonylContact O-C 3.48Å; M168-N171 PolarHBondContact O-N 3.22Å; N171-H173 PolarHBondContact O-N 3.32Å; N171-N174 HydrophobicContact CB-CB 3.99Å; N171-N174 PolarHBondContact O-N 2.82Å; N171-Y177 HydrophobicContact CB-CD2 4Å; N171-Y177 HydrophobicContact CB-CE2 3.82Å
172P95.2Very high97.3Very high72 Ų7246.3 Ų46.347%0.46823%0.232SC..THydrogen-bonded Turntrans-66.9-14.4-171.926.8-36.4000114.4M168M168-P172 VanDerWaalsContact O-CA 3.26Å; M168-P172 WeakPolarHBondContact O-CA 3.47Å; M168-P172 VanDerWaalsContact O-N 3.16Å
173H94.8Very high97.3Very high157 Ų15744.5 Ų44.573%0.72723%0.225SC*.THydrogen-bonded Turntrans-99.9-1.1178.8-60.8-61.7000113.7N171 H175 L207N171-H173 PolarHBondContact O-N 3.32Å; H173-H175 PolarHBondContact O-N 3.44Å; H173-L207 HydrophobicContact CB-CD2 4.45Å
174N96.2Very high97.3Very high46 Ų4644.7 Ų44.725%0.24623%0.227CC..  trans-81.4107.4176.9-171.8-20.8000110.5N171 L176 Y177N171-N174 HydrophobicContact CB-CB 3.99Å; N171-N174 PolarHBondContact O-N 2.82Å; N174-L176 PolarHBondContact O-N 3.01Å; N174-L176 WeakPolarHBondContact OD1-CB 3.28Å; N174-L176 PolarHBondContact OD1-N 2.72Å; N174-Y177 HydrophobicContact CB-CD2 3.75Å; N174-Y177 HydrophobicContact CB-CE2 4.08Å; N174-Y177 HydrophobicContact CB-CG 4.38Å; N174-Y177 WeakPolarHBondContact ND2-CE2 3.39Å; N174-Y177 PolarHBondContact O-N 2.99Å
175H97.6Very high97.3Very high42 Ų4245.8 Ų45.819%0.19423%0.231CC..Hα-helixtrans-64.6-22.6-178.776.178.8000113.9H173 Q179 L207 N208 N211H173-H175 PolarHBondContact O-N 3.44Å; H175-Q179 WeakPolarHBondContact O-CB 3.49Å; H175-Q179 PolarHBondContact O-N 2.92Å; H175-Q179 VanDerWaalsContact O-N 3.09Å; H175-L207 HydrophobicContact CB-CB 3.66Å; H175-L207 HydrophobicContact CB-CD1 4.32Å; H175-N208 HydrophobicContact CB-CB 3.88Å; H175-N208 VanDerWaalsContact CD2-CB 3.41Å; H175-N208 WeakPolarHBondContact CD2-CB 3.33Å; H175-N208 PolarHBondContact CD2-ND2 3.2Å; H175-N208 PolarHBondContact CE1-ND2 3.04Å; H175-N208 PolarHBondContact NE2-ND2 2.91Å; H175-N211 PolarHBondContact ND1-ND2 3.49Å; H175-N211 VanDerWaalsContact ND1-ND2 3.2Å
176L97.9Very high97.3Very high80 Ų8045.4 Ų45.442%0.41923%0.227SC..Hα-helixtrans-70.8-43-177.8-65.9171.5000110.8N174 C178 Q179 Q180N174-L176 PolarHBondContact O-N 3.01Å; N174-L176 WeakPolarHBondContact OD1-CB 3.28Å; N174-L176 PolarHBondContact OD1-N 2.72Å; L176-C178 PolarHBondContact O-N 3.13Å; L176-Q179 PolarHBondContact O-N 3.17Å; L176-Q179 VanDerWaalsContact O-N 3.16Å; L176-Q180 WeakPolarHBondContact O-CG 3.22Å; L176-Q180 PolarHBondContact O-N 3.31Å
177Y97.9Very high97.4Very high28 Ų2846.6 Ų46.611%0.1124%0.238CC..Hα-helixtrans-65.5-40.8178.5-57.6-30.8000111.8H145 L167 N171 N174 Q179 Q180 Y181H145-Y177 AromaticContact CD2-CE1 3.63Å; L167-Y177 HydrophobicContact CB-CD1 4.27Å; L167-Y177 HydrophobicContact CB-CD2 3.74Å; L167-Y177 HydrophobicContact CB-CE1 4.45Å; L167-Y177 HydrophobicContact CB-CE2 3.92Å; L167-Y177 HydrophobicContact CB-CG 3.93Å; L167-Y177 HydrophobicContact CD1-CD1 4.15Å; L167-Y177 HydrophobicContact CD1-CE1 4.03Å; L167-Y177 HydrophobicContact CD2-CE2 4.21Å; N171-Y177 HydrophobicContact CB-CD2 4Å; N171-Y177 HydrophobicContact CB-CE2 3.82Å; N174-Y177 HydrophobicContact CB-CD2 3.75Å; N174-Y177 HydrophobicContact CB-CE2 4.08Å; N174-Y177 HydrophobicContact CB-CG 4.38Å; N174-Y177 WeakPolarHBondContact ND2-CE2 3.39Å; N174-Y177 PolarHBondContact O-N 2.99Å; Y177-Q179 VanDerWaalsContact C-N 3.32Å; Y177-Q179 PolarHBondContact O-N 3.39Å; Y177-Q180 PolarHBondContact O-N 2.93Å; Y177-Y181 VanDerWaalsContact O-CB 3.23Å; Y177-Y181 WeakPolarHBondContact O-CB 3.3Å; Y177-Y181 PolarHBondContact O-N 3.37Å
178C97.7Very high97.4Very high6 Ų649.5 Ų49.54%0.04125%0.252CS..Hα-helixtrans-61.5-40172.6-640000112.4M168 L176 A182 A204M168-C178 HydrophobicContact SD-CB 4.42Å; L176-C178 PolarHBondContact O-N 3.13Å; C178-A182 VanDerWaalsContact O-CB 3.32Å; C178-A182 WeakPolarHBondContact O-CB 3.46Å; C178-A182 PolarHBondContact O-N 3.41Å; C178-A204 HydrophobicContact CB-CB 3.89Å
179Q98.5Very high97.3Very high12 Ų1249.4 Ų49.46%0.05626%0.255CS..Hα-helixtrans-67.3-49.4177.6172.4-120.5-6500111.5H175 L176 Y177 Y181 A182 E183 F201 A204 N211 R213 A214H175-Q179 WeakPolarHBondContact O-CB 3.49Å; H175-Q179 PolarHBondContact O-N 2.92Å; H175-Q179 VanDerWaalsContact O-N 3.09Å; L176-Q179 PolarHBondContact O-N 3.17Å; L176-Q179 VanDerWaalsContact O-N 3.16Å; Y177-Q179 VanDerWaalsContact C-N 3.32Å; Y177-Q179 PolarHBondContact O-N 3.39Å; Q179-Y181 VanDerWaalsContact C-N 3.35Å; Q179-Y181 PolarHBondContact O-N 3.49Å; Q179-A182 WeakPolarHBondContact O-CB 3.28Å; Q179-A182 PolarHBondContact O-N 3.35Å; Q179-E183 VanDerWaalsContact CD-OE1 3.31Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.46Å; Q179-E183 PolarHBondContact NE2-OE1 2.87Å; Q179-E183 PolarHBondContact NE2-OE2 3.1Å; Q179-E183 WeakPolarHBondContact O-CG 3.45Å; Q179-E183 PolarHBondContact O-N 3.32Å; Q179-F201 HydrophobicContact CG-CE1 4.34Å; Q179-A204 HydrophobicContact CB-CB 4.03Å; Q179-N211 PolarHBondContact OE1-ND2 3.23Å; Q179-R213 HydrophobicContact CG-CB 4.15Å; Q179-A214 HydrophobicContact CG-CB 4.37Å
180Q98.4Very high97.4Very high39 Ų3945.4 Ų45.418%0.18225%0.247CC..Hα-helixtrans-61.8-42.5178.4-71.6-178.3-53.800111.4H145 L164 L176 Y177 A182 E183 V184H145-Q180 PolarHBondContact NE2-NE2 2.94Å; H145-Q180 PolarHBondContact NE2-OE1 3.42Å; L164-Q180 HydrophobicContact CD1-CB 4.17Å; L164-Q180 HydrophobicContact CD2-CB 3.87Å; L176-Q180 WeakPolarHBondContact O-CG 3.22Å; L176-Q180 PolarHBondContact O-N 3.31Å; Y177-Q180 PolarHBondContact O-N 2.93Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 3.02Å; Q180-E183 WeakPolarHBondContact O-CB 3.39Å; Q180-E183 PolarHBondContact O-N 3.07Å; Q180-V184 WeakPolarHBondContact O-CG2 3.45Å; Q180-V184 PolarHBondContact O-N 3.34Å
181Y98.8Very high97.4Very high7 Ų743.2 Ų43.23%0.02723%0.232CC..Hα-helixtrans-59.9-44.5174.8-178.1-99000111.8A161 L164 E165 M168 Y177 Q179 E183 V184 K185 L196 Y200A161-Y181 HydrophobicContact CB-CD2 4.34Å; A161-Y181 HydrophobicContact CB-CE2 3.97Å; L164-Y181 HydrophobicContact CB-CD2 3.96Å; E165-Y181 HydrophobicContact CG-CD2 4.19Å; E165-Y181 HydrophobicContact CG-CE2 3.45Å; E165-Y181 VanDerWaalsContact CG-CE2 3.45Å; E165-Y181 WeakPolarHBondContact OE1-CE2 3.36Å; E165-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E165-Y181 PolarHBondContact OE1-OH 3.12Å; M168-Y181 HydrophobicContact CE-CD1 3.75Å; M168-Y181 HydrophobicContact CE-CD2 3.53Å; M168-Y181 HydrophobicContact CE-CE1 4.17Å; M168-Y181 HydrophobicContact CE-CE2 3.97Å; M168-Y181 HydrophobicContact CE-CG 3.37Å; M168-Y181 HydrophobicContact SD-CD1 4.44Å; M168-Y181 HydrophobicContact SD-CG 4.18Å; Y177-Y181 VanDerWaalsContact O-CB 3.23Å; Y177-Y181 WeakPolarHBondContact O-CB 3.3Å; Y177-Y181 PolarHBondContact O-N 3.37Å; Q179-Y181 VanDerWaalsContact C-N 3.35Å; Q179-Y181 PolarHBondContact O-N 3.49Å; Y181-E183 VanDerWaalsContact C-N 3.3Å; Y181-E183 PolarHBondContact O-N 2.9Å; Y181-V184 PolarHBondContact O-N 3.49Å; Y181-K185 HydrophobicContact CD1-CG 4.05Å; Y181-K185 HydrophobicContact CE1-CD 4.39Å; Y181-K185 HydrophobicContact CE1-CG 3.7Å; Y181-K185 HydrophobicContact CE2-CD 4.45Å; Y181-K185 VanDerWaalsContact CE2-CE 3.43Å; Y181-K185 HydrophobicContact CE2-CG 4.39Å; Y181-K185 WeakPolarHBondContact O-CG 3.14Å; Y181-K185 PolarHBondContact O-N 2.83Å; Y181-K185 WeakPolarHBondContact OH-CE 3.46Å; Y181-L196 HydrophobicContact CE1-CD2 4.16Å; Y181-L196 HydrophobicContact CE1-CG 4.3Å; Y181-Y200 AromaticContact CD1-CD1 3.69Å; Y181-Y200 HydrophobicContact CD1-CD1 3.69Å; Y181-Y200 AromaticContact CD1-CD2 3.71Å; Y181-Y200 HydrophobicContact CD1-CD2 3.71Å; Y181-Y200 AromaticContact CD1-CE1 3.92Å; Y181-Y200 HydrophobicContact CD1-CE1 3.92Å; Y181-Y200 AromaticContact CD1-CE2 3.96Å; Y181-Y200 HydrophobicContact CD1-CE2 3.96Å; Y181-Y200 AromaticContact CD1-CG 3.57Å; Y181-Y200 HydrophobicContact CD1-CG 3.57Å; Y181-Y200 HydrophobicContact CE1-CD1 4.15Å; Y181-Y200 AromaticContact CE1-CD2 3.55Å; Y181-Y200 HydrophobicContact CE1-CD2 3.55Å; Y181-Y200 HydrophobicContact CE1-CE1 4.02Å; Y181-Y200 AromaticContact CE1-CE2 3.43Å; Y181-Y200 HydrophobicContact CE1-CE2 3.43Å; Y181-Y200 VanDerWaalsContact CE1-CE2 3.43Å; Y181-Y200 AromaticContact CE1-CG 3.92Å; Y181-Y200 HydrophobicContact CE1-CG 3.92Å; Y181-Y200 AromaticContact CE1-CZ 3.65Å
182A98.7Very high97.6Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-61.7-36.8176.600000112.9C178 Q179 Q180 Y186 S197 F201C178-A182 VanDerWaalsContact O-CB 3.32Å; C178-A182 WeakPolarHBondContact O-CB 3.46Å; C178-A182 PolarHBondContact O-N 3.41Å; Q179-A182 WeakPolarHBondContact O-CB 3.28Å; Q179-A182 PolarHBondContact O-N 3.35Å; Q180-A182 VanDerWaalsContact C-N 3.33Å; Q180-A182 PolarHBondContact O-N 3.02Å; A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.26Å; A182-Y186 PolarHBondContact O-N 3.4Å; A182-S197 WeakPolarHBondContact CB-O 3.05Å; A182-S197 VanDerWaalsContact O-CB 3.29Å; A182-S197 WeakPolarHBondContact O-CB 3.23Å; A182-S197 PolarHBondContact O-OG 3.48Å; A182-F201 HydrophobicContact CB-CB 4.33Å; A182-F201 HydrophobicContact CB-CD1 3.44Å; A182-F201 VanDerWaalsContact CB-CD1 3.44Å; A182-F201 HydrophobicContact CB-CD2 3.68Å; A182-F201 HydrophobicContact CB-CE1 3.55Å; A182-F201 HydrophobicContact CB-CE2 3.78Å; A182-F201 HydrophobicContact CB-CG 3.52Å; A182-F201 HydrophobicContact CB-CZ 3.71Å
183E98.7Very high97.7Very high65 Ų6547.8 Ų47.830%0.30425%0.247SC..Hα-helixtrans-67.5-43175-72.3167.8-167.300111.9Q179 Q180 Y181 Y186 T187 F201Q179-E183 VanDerWaalsContact CD-OE1 3.31Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.46Å; Q179-E183 PolarHBondContact NE2-OE1 2.87Å; Q179-E183 PolarHBondContact NE2-OE2 3.1Å; Q179-E183 WeakPolarHBondContact O-CG 3.45Å; Q179-E183 PolarHBondContact O-N 3.32Å; Q180-E183 WeakPolarHBondContact O-CB 3.39Å; Q180-E183 PolarHBondContact O-N 3.07Å; Y181-E183 VanDerWaalsContact C-N 3.3Å; Y181-E183 PolarHBondContact O-N 2.9Å; E183-Y186 WeakPolarHBondContact O-CB 3.33Å; E183-Y186 PolarHBondContact O-N 2.84Å; E183-T187 WeakPolarHBondContact O-CB 3.43Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.39Å; E183-F201 HydrophobicContact CB-CZ 4.4Å; E183-F201 HydrophobicContact CG-CE1 3.74Å; E183-F201 HydrophobicContact CG-CZ 3.58Å
184V98.7Very high97.9Very high5 Ų541.8 Ų41.83%0.0322%0.219CC..Hα-helixtrans-62.1-47.3175.3174.10000110.3I152 Y157 A160 A161 L164 Q180 Y181 Y186 T187 Q188I152-V184 HydrophobicContact CD1-CG2 3.83Å; I152-V184 HydrophobicContact CG1-CG2 4.01Å; Y157-V184 WeakPolarHBondContact O-CG1 3.36Å; A160-V184 HydrophobicContact CB-CG1 4.27Å; A160-V184 HydrophobicContact CB-CG2 4.44Å; A161-V184 HydrophobicContact CB-CG1 3.91Å; L164-V184 HydrophobicContact CD1-CB 4.41Å; L164-V184 HydrophobicContact CD1-CG2 3.73Å; Q180-V184 WeakPolarHBondContact O-CG2 3.45Å; Q180-V184 PolarHBondContact O-N 3.34Å; Y181-V184 PolarHBondContact O-N 3.49Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.11Å; V184-T187 WeakPolarHBondContact O-CB 3.24Å; V184-T187 PolarHBondContact O-N 3.47Å; V184-T187 VanDerWaalsContact O-N 3.15Å; V184-Q188 WeakPolarHBondContact O-CG 3.38Å; V184-Q188 PolarHBondContact O-N 2.88Å
185K98.8Very high98Very high24 Ų2442 Ų4210%0.10422%0.219CC..Hα-helixtrans-62-40.1175.3-65.9-50.3-173.6-179.70112.3A161 Y181 T187 Q188 G189 N193 L196A161-K185 HydrophobicContact CB-CD 4.44Å; Y181-K185 HydrophobicContact CD1-CG 4.05Å; Y181-K185 HydrophobicContact CE1-CD 4.39Å; Y181-K185 HydrophobicContact CE1-CG 3.7Å; Y181-K185 HydrophobicContact CE2-CD 4.45Å; Y181-K185 VanDerWaalsContact CE2-CE 3.43Å; Y181-K185 HydrophobicContact CE2-CG 4.39Å; Y181-K185 WeakPolarHBondContact O-CG 3.14Å; Y181-K185 PolarHBondContact O-N 2.83Å; Y181-K185 WeakPolarHBondContact OH-CE 3.46Å; K185-T187 VanDerWaalsContact C-N 3.29Å; K185-T187 PolarHBondContact O-N 2.85Å; K185-Q188 PolarHBondContact O-N 3.38Å; K185-G189 PolarHBondContact O-N 3Å; K185-N193 VanDerWaalsContact O-CB 3.3Å; K185-N193 WeakPolarHBondContact O-CB 3.49Å; K185-L196 HydrophobicContact CD-CD2 3.97Å; K185-L196 HydrophobicContact CG-CD2 3.93Å; K185-L196 HydrophobicContact CG-CG 4.34Å
186Y98.6Very high98Very high57 Ų5742.3 Ų42.322%0.22422%0.221CC..Hα-helixtrans-58.3-45.2174.3-174.3-88.8000111.3A182 E183 V184 G189 F194 S197 M220 H224A182-Y186 VanDerWaalsContact O-CB 3.3Å; A182-Y186 WeakPolarHBondContact O-CB 3.26Å; A182-Y186 PolarHBondContact O-N 3.4Å; E183-Y186 WeakPolarHBondContact O-CB 3.33Å; E183-Y186 PolarHBondContact O-N 2.84Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.11Å; Y186-G189 PolarHBondContact O-N 2.93Å; Y186-G189 VanDerWaalsContact O-N 3.1Å; Y186-F194 AromaticContact CD2-CD1 3.97Å; Y186-F194 HydrophobicContact CD2-CD1 3.97Å; Y186-F194 HydrophobicContact CD2-CE1 4.13Å; Y186-F194 HydrophobicContact CE2-CD1 4.25Å; Y186-F194 HydrophobicContact CE2-CE1 4.18Å; Y186-F194 HydrophobicContact CG-CE1 4.43Å; Y186-F194 WeakPolarHBondContact O-CE1 3.43Å; Y186-S197 WeakPolarHBondContact CB-OG 3.15Å; Y186-M220 HydrophobicContact CE2-CB 3.89Å; Y186-H224 AromaticContact CE2-CD2 3.88Å; Y186-H224 AromaticContact CZ-CD2 3.71Å; Y186-H224 PolarHBondContact OH-CD2 3.4Å; Y186-H224 PolarHBondContact OH-NE2 2.85Å
187T98.4Very high98Very high74 Ų7438.5 Ų38.545%0.45420%0.201SC..Hα-helixtrans-66.8-37.5-178.3-54.60000112.3Y157 E183 V184 K185 G189Y157-T187 HydrophobicContact CD1-CG2 4.17Å; Y157-T187 HydrophobicContact CD2-CG2 4.17Å; Y157-T187 HydrophobicContact CE1-CG2 3.74Å; Y157-T187 HydrophobicContact CE2-CG2 3.73Å; Y157-T187 HydrophobicContact CG-CG2 4.38Å; Y157-T187 VanDerWaalsContact CZ-CG2 3.49Å; E183-T187 WeakPolarHBondContact O-CB 3.43Å; E183-T187 PolarHBondContact O-N 3.14Å; E183-T187 PolarHBondContact O-OG1 3.39Å; V184-T187 WeakPolarHBondContact O-CB 3.24Å; V184-T187 PolarHBondContact O-N 3.47Å; V184-T187 VanDerWaalsContact O-N 3.15Å; K185-T187 VanDerWaalsContact C-N 3.29Å; K185-T187 PolarHBondContact O-N 2.85Å; T187-G189 PolarHBondContact O-N 3.13Å
188Q98.1Very high98.1Very high61 Ų6138.5 Ų38.529%0.28520%0.201SC..Hα-helixtrans-58.8-28.2172.5-71.9-177.2-45.100112.7Y157 A158 V184 K185Y157-Q188 HydrophobicContact CG-CG 4.39Å; Y157-Q188 PolarHBondContact O-NE2 2.79Å; A158-Q188 VanDerWaalsContact CA-NE2 3.3Å; V184-Q188 WeakPolarHBondContact O-CG 3.38Å; V184-Q188 PolarHBondContact O-N 2.88Å; K185-Q188 PolarHBondContact O-N 3.38Å
189G95.4Very high98.1Very high17 Ų1743.4 Ų43.418%0.17522%0.222CC..  trans65.7-179.1175.200000114K185 Y186 T187 N193K185-G189 PolarHBondContact O-N 3Å; Y186-G189 PolarHBondContact O-N 2.93Å; Y186-G189 VanDerWaalsContact O-N 3.1Å; T187-G189 PolarHBondContact O-N 3.13Å; G189-N193 VanDerWaalsContact O-CB 3.29Å; G189-N193 WeakPolarHBondContact O-CB 3.47Å; G189-N193 PolarHBondContact O-ND2 3.36Å
190G96.6Very high98.1Very high43 Ų4346.3 Ų46.344%0.44323%0.233SC..SBendtrans86.1153.1-171.700000112.3E192 N193 F194G190-E192 VanDerWaalsContact C-N 3.35Å; G190-E192 PolarHBondContact O-N 3.27Å; G190-N193 PolarHBondContact O-N 3.05Å; G190-F194 WeakPolarHBondContact O-CD2 3.3Å; G190-F194 VanDerWaalsContact O-CG 3.32Å; G190-F194 WeakPolarHBondContact O-CG 3.12Å; G190-F194 PolarHBondContact O-N 3.25Å
191L96.9Very high98.1Very high31 Ų3144.6 Ų44.616%0.16223%0.225CC..Hα-helixtrans-60.2-44.2-169.3-17560.8000112.4N193 F194 E195 I225 N228 K230 A231 M235L191-N193 PolarHBondContact O-N 3.08Å; L191-F194 PolarHBondContact O-N 3.14Å; L191-E195 WeakPolarHBondContact O-CG 3.46Å; L191-E195 PolarHBondContact O-N 3.2Å; L191-I225 HydrophobicContact CD1-CG1 4.38Å; L191-I225 HydrophobicContact CD1-CG2 4.14Å; L191-N228 HydrophobicContact CD1-CB 3.96Å; L191-K230 HydrophobicContact CD2-CB 4.03Å; L191-A231 HydrophobicContact CD1-CB 4.22Å; L191-A231 HydrophobicContact CD2-CB 4.41Å; L191-M235 HydrophobicContact CD1-CE 3.93Å; L191-M235 HydrophobicContact CD2-CE 3.66Å; L191-M235 HydrophobicContact CG-CE 3.98Å
192E97.3Very high98.1Very high164 Ų16446 Ų4677%0.76624%0.238SC*.Hα-helixtrans-62.1-44.6179.9-64.2174.6-171.100111.8G190 E195 L196G190-E192 VanDerWaalsContact C-N 3.35Å; G190-E192 PolarHBondContact O-N 3.27Å; E192-E195 PolarHBondContact O-N 2.96Å; E192-L196 PolarHBondContact O-N 3.45Å
193N98.2Very high98.1Very high45 Ų4549.5 Ų49.524%0.24125%0.254CS..Hα-helixtrans-72-33.5178.4-65.9-44.6000112.2K185 G189 G190 L191 E195 L196 S197K185-N193 VanDerWaalsContact O-CB 3.3Å; K185-N193 WeakPolarHBondContact O-CB 3.49Å; G189-N193 VanDerWaalsContact O-CB 3.29Å; G189-N193 WeakPolarHBondContact O-CB 3.47Å; G189-N193 PolarHBondContact O-ND2 3.36Å; G190-N193 PolarHBondContact O-N 3.05Å; L191-N193 PolarHBondContact O-N 3.08Å; N193-E195 VanDerWaalsContact C-N 3.34Å; N193-L196 PolarHBondContact O-N 3.43Å; N193-S197 WeakPolarHBondContact O-CB 3.41Å; N193-S197 PolarHBondContact O-N 3.24Å
194F98.2Very high98.1Very high31 Ų3146.4 Ų46.414%0.13624%0.24CC..Hα-helixtrans-63.4-41.4171.6-67.2-42.3000111.6Y186 G190 L191 L196 S197 R198 H224 I225Y186-F194 AromaticContact CD2-CD1 3.97Å; Y186-F194 HydrophobicContact CD2-CD1 3.97Å; Y186-F194 HydrophobicContact CD2-CE1 4.13Å; Y186-F194 HydrophobicContact CE2-CD1 4.25Å; Y186-F194 HydrophobicContact CE2-CE1 4.18Å; Y186-F194 HydrophobicContact CG-CE1 4.43Å; Y186-F194 WeakPolarHBondContact O-CE1 3.43Å; G190-F194 WeakPolarHBondContact O-CD2 3.3Å; G190-F194 VanDerWaalsContact O-CG 3.32Å; G190-F194 WeakPolarHBondContact O-CG 3.12Å; G190-F194 PolarHBondContact O-N 3.25Å; L191-F194 PolarHBondContact O-N 3.14Å; F194-L196 VanDerWaalsContact C-N 3.33Å; F194-L196 PolarHBondContact O-N 3.35Å; F194-S197 PolarHBondContact O-N 3.16Å; F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 PolarHBondContact O-N 2.83Å; F194-H224 HydrophobicContact CD2-CB 4.41Å; F194-H224 HydrophobicContact CE2-CB 4.42Å; F194-I225 HydrophobicContact CB-CD1 4.2Å; F194-I225 HydrophobicContact CB-CG1 3.72Å
195E98.1Very high98.1Very high51 Ų5147 Ų4724%0.23824%0.242CC..Hα-helixtrans-62-42.1174.6-76.2-170.9-114.600112.3L191 E192 N193 K199 I225 M235L191-E195 WeakPolarHBondContact O-CG 3.46Å; L191-E195 PolarHBondContact O-N 3.2Å; E192-E195 PolarHBondContact O-N 2.96Å; N193-E195 VanDerWaalsContact C-N 3.34Å; E195-K199 VanDerWaalsContact O-CG 3.31Å; E195-K199 WeakPolarHBondContact O-CG 3.32Å; E195-K199 PolarHBondContact O-N 3.42Å; E195-K199 VanDerWaalsContact O-N 3.17Å; E195-I225 HydrophobicContact CB-CD1 4.5Å; E195-I225 HydrophobicContact CG-CD1 4.02Å; E195-I225 HydrophobicContact CG-CG1 4.37Å; E195-M235 HydrophobicContact CG-SD 3.99Å
196L98.4Very high98Very high48 Ų4854.1 Ų54.125%0.25127%0.273SS..Hα-helixtrans-64.5-50.9176.5-163.862.4000110.8Y181 K185 E192 N193 F194 R198 K199 Y200Y181-L196 HydrophobicContact CE1-CD2 4.16Å; Y181-L196 HydrophobicContact CE1-CG 4.3Å; K185-L196 HydrophobicContact CD-CD2 3.97Å; K185-L196 HydrophobicContact CG-CD2 3.93Å; K185-L196 HydrophobicContact CG-CG 4.34Å; E192-L196 PolarHBondContact O-N 3.45Å; N193-L196 PolarHBondContact O-N 3.43Å; F194-L196 VanDerWaalsContact C-N 3.33Å; F194-L196 PolarHBondContact O-N 3.35Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.48Å; L196-K199 WeakPolarHBondContact O-CB 3.42Å; L196-K199 PolarHBondContact O-N 2.98Å; L196-Y200 HydrophobicContact CD1-CD2 3.97Å; L196-Y200 HydrophobicContact CD1-CE2 3.56Å; L196-Y200 HydrophobicContact CG-CD2 3.95Å; L196-Y200 HydrophobicContact CG-CE2 3.89Å; L196-Y200 WeakPolarHBondContact O-CD2 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å
197S98.7Very high97.9Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-50.1-51.1175174.10000111.8A182 Y186 N193 F194 K199 Y200 F201A182-S197 WeakPolarHBondContact CB-O 3.05Å; A182-S197 VanDerWaalsContact O-CB 3.29Å; A182-S197 WeakPolarHBondContact O-CB 3.23Å; A182-S197 PolarHBondContact O-OG 3.48Å; Y186-S197 WeakPolarHBondContact CB-OG 3.15Å; N193-S197 WeakPolarHBondContact O-CB 3.41Å; N193-S197 PolarHBondContact O-N 3.24Å; F194-S197 PolarHBondContact O-N 3.16Å; S197-K199 VanDerWaalsContact C-N 3.33Å; S197-K199 PolarHBondContact O-N 3.09Å; S197-Y200 PolarHBondContact O-N 3.43Å; S197-F201 VanDerWaalsContact O-CD2 3.25Å; S197-F201 WeakPolarHBondContact O-CD2 3.43Å; S197-F201 PolarHBondContact O-N 2.91Å; S197-F201 WeakPolarHBondContact OG-CD2 3.32Å; S197-F201 WeakPolarHBondContact OG-CE2 3.35Å
198R98.6Very high97.9Very high29 Ų2952.8 Ų52.811%0.10927%0.267CS..Hα-helixtrans-56.4-44.4176.8-173.3-163.259.874.62.2112.5F194 L196 A202 L218 S221 A222 I225 N239F194-R198 WeakPolarHBondContact O-CB 3.42Å; F194-R198 PolarHBondContact O-N 2.83Å; L196-R198 VanDerWaalsContact C-N 3.32Å; L196-R198 PolarHBondContact O-N 3.48Å; R198-A202 WeakPolarHBondContact O-CB 3.41Å; R198-A202 PolarHBondContact O-N 3.1Å; R198-L218 HydrophobicContact CG-CD1 3.57Å; R198-S221 WeakPolarHBondContact CA-OG 3.31Å; R198-S221 WeakPolarHBondContact CB-OG 3.4Å; R198-A222 HydrophobicContact CG-CB 4.47Å; R198-I225 HydrophobicContact CB-CD1 4.1Å; R198-N239 WeakPolarHBondContact CD-OD1 3.32Å; R198-N239 PolarHBondContact NE-OD1 2.68Å
199K98.6Very high97.7Very high108 Ų10856.1 Ų56.147%0.4729%0.287SS..Hα-helixtrans-62.5-45178.8-70.7168.9-174171.50111.1E195 L196 S197 A202 Q203E195-K199 VanDerWaalsContact O-CG 3.31Å; E195-K199 WeakPolarHBondContact O-CG 3.32Å; E195-K199 PolarHBondContact O-N 3.42Å; E195-K199 VanDerWaalsContact O-N 3.17Å; L196-K199 WeakPolarHBondContact O-CB 3.42Å; L196-K199 PolarHBondContact O-N 2.98Å; S197-K199 VanDerWaalsContact C-N 3.33Å; S197-K199 PolarHBondContact O-N 3.09Å; K199-A202 WeakPolarHBondContact O-CB 3.41Å; K199-A202 PolarHBondContact O-N 3.29Å; K199-Q203 PolarHBondContact O-N 2.94Å
200Y98.7Very high97.6Very high73 Ų7365.7 Ų65.729%0.28632%0.318SS..Hα-helixtrans-73.9-32.9-179.1-81-89.5000113.2M168 Y181 L196 S197 Q203 A204M168-Y200 HydrophobicContact CE-CD1 4.35Å; M168-Y200 HydrophobicContact CE-CE1 3.81Å; M168-Y200 HydrophobicContact SD-CD1 3.82Å; M168-Y200 HydrophobicContact SD-CE1 3.62Å; Y181-Y200 AromaticContact CD1-CD1 3.69Å; Y181-Y200 HydrophobicContact CD1-CD1 3.69Å; Y181-Y200 AromaticContact CD1-CD2 3.71Å; Y181-Y200 HydrophobicContact CD1-CD2 3.71Å; Y181-Y200 AromaticContact CD1-CE1 3.92Å; Y181-Y200 HydrophobicContact CD1-CE1 3.92Å; Y181-Y200 AromaticContact CD1-CE2 3.96Å; Y181-Y200 HydrophobicContact CD1-CE2 3.96Å; Y181-Y200 AromaticContact CD1-CG 3.57Å; Y181-Y200 HydrophobicContact CD1-CG 3.57Å; Y181-Y200 HydrophobicContact CE1-CD1 4.15Å; Y181-Y200 AromaticContact CE1-CD2 3.55Å; Y181-Y200 HydrophobicContact CE1-CD2 3.55Å; Y181-Y200 HydrophobicContact CE1-CE1 4.02Å; Y181-Y200 AromaticContact CE1-CE2 3.43Å; Y181-Y200 HydrophobicContact CE1-CE2 3.43Å; Y181-Y200 VanDerWaalsContact CE1-CE2 3.43Å; Y181-Y200 AromaticContact CE1-CG 3.92Å; Y181-Y200 HydrophobicContact CE1-CG 3.92Å; Y181-Y200 AromaticContact CE1-CZ 3.65Å; L196-Y200 HydrophobicContact CD1-CD2 3.97Å; L196-Y200 HydrophobicContact CD1-CE2 3.56Å; L196-Y200 HydrophobicContact CG-CD2 3.95Å; L196-Y200 HydrophobicContact CG-CE2 3.89Å; L196-Y200 WeakPolarHBondContact O-CD2 3.39Å; L196-Y200 PolarHBondContact O-N 2.92Å; S197-Y200 PolarHBondContact O-N 3.43Å; Y200-Q203 PolarHBondContact O-N 3.22Å; Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.43Å
201F98.8Very high97.5Very high4 Ų464.3 Ų64.32%0.01830%0.301CS..Hα-helixtrans-62-42.8168-77.6-50.4000111.9Q179 A182 E183 S197 Q203 A204 L205 A214 G217 L218Q179-F201 HydrophobicContact CG-CE1 4.34Å; A182-F201 HydrophobicContact CB-CB 4.33Å; A182-F201 HydrophobicContact CB-CD1 3.44Å; A182-F201 VanDerWaalsContact CB-CD1 3.44Å; A182-F201 HydrophobicContact CB-CD2 3.68Å; A182-F201 HydrophobicContact CB-CE1 3.55Å; A182-F201 HydrophobicContact CB-CE2 3.78Å; A182-F201 HydrophobicContact CB-CG 3.52Å; A182-F201 HydrophobicContact CB-CZ 3.71Å; E183-F201 HydrophobicContact CB-CZ 4.4Å; E183-F201 HydrophobicContact CG-CE1 3.74Å; E183-F201 HydrophobicContact CG-CZ 3.58Å; S197-F201 VanDerWaalsContact O-CD2 3.25Å; S197-F201 WeakPolarHBondContact O-CD2 3.43Å; S197-F201 PolarHBondContact O-N 2.91Å; S197-F201 WeakPolarHBondContact OG-CD2 3.32Å; S197-F201 WeakPolarHBondContact OG-CE2 3.35Å; F201-Q203 VanDerWaalsContact C-N 3.32Å; F201-Q203 PolarHBondContact O-N 3.42Å; F201-A204 PolarHBondContact O-N 3.15Å; F201-L205 WeakPolarHBondContact O-CG 3.3Å; F201-L205 PolarHBondContact O-N 2.93Å; F201-A214 HydrophobicContact CD1-CB 4.14Å; F201-G217 VanDerWaalsContact CD2-O 3.31Å; F201-G217 WeakPolarHBondContact CD2-O 3.37Å; F201-G217 VanDerWaalsContact CE2-C 3.46Å; F201-G217 VanDerWaalsContact CZ-CA 3.48Å; F201-L218 HydrophobicContact CB-CB 4.08Å
202A98.5Very high97.5Very high36 Ų3665.6 Ų65.630%0.29831%0.306SS..Hα-helixtrans-62.3-39.3174.300000112.1R198 K199 L205 K206 L218R198-A202 WeakPolarHBondContact O-CB 3.41Å; R198-A202 PolarHBondContact O-N 3.1Å; K199-A202 WeakPolarHBondContact O-CB 3.41Å; K199-A202 PolarHBondContact O-N 3.29Å; A202-L205 PolarHBondContact O-N 3.39Å; A202-K206 PolarHBondContact O-N 2.98Å; A202-L218 HydrophobicContact CB-CD1 4.21Å
203Q98.3Very high97.5Very high74 Ų7466 Ų6635%0.34630%0.301SS..Hα-helixtrans-64.6-44.2174.7179.961.611.300111.8K199 Y200 F201 L205 K206 L207K199-Q203 PolarHBondContact O-N 2.94Å; Y200-Q203 PolarHBondContact O-N 3.22Å; F201-Q203 VanDerWaalsContact C-N 3.32Å; F201-Q203 PolarHBondContact O-N 3.42Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.19Å; Q203-K206 WeakPolarHBondContact O-CB 3.44Å; Q203-K206 PolarHBondContact O-N 2.74Å; Q203-K206 VanDerWaalsContact O-N 3.12Å; Q203-L207 HydrophobicContact CG-CD1 4.48Å; Q203-L207 WeakPolarHBondContact O-CG 3.29Å; Q203-L207 PolarHBondContact O-N 3.43Å
204A98.4Very high97.5Very high0 Ų063.8 Ų63.80%029%0.289CS..Hα-helixtrans-59.2-39.7175.100000111.8C178 Q179 Y200 F201 L207 N208 A214C178-A204 HydrophobicContact CB-CB 3.89Å; Q179-A204 HydrophobicContact CB-CB 4.03Å; Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.43Å; F201-A204 PolarHBondContact O-N 3.15Å; A204-L207 PolarHBondContact O-N 2.87Å; A204-N208 PolarHBondContact O-N 3.28Å; A204-A214 HydrophobicContact CB-CB 3.83Å
205L98.1Very high97.5Very high16 Ų1662.9 Ų62.98%0.08429%0.286CS..Hα-helixtrans-68.6-33.8174.7-72.8168.6000113.5F201 A202 Q203 L207 N208 N209 N211 A214 L215 L218 W245F201-L205 WeakPolarHBondContact O-CG 3.3Å; F201-L205 PolarHBondContact O-N 2.93Å; A202-L205 PolarHBondContact O-N 3.39Å; Q203-L205 VanDerWaalsContact C-N 3.28Å; Q203-L205 PolarHBondContact O-N 3.19Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-N208 CarbonylContact O-C 3.35Å; L205-N209 VanDerWaalsContact O-CA 3.29Å; L205-N209 WeakPolarHBondContact O-CA 3.38Å; L205-N209 PolarHBondContact O-N 3.46Å; L205-N209 VanDerWaalsContact O-N 3.1Å; L205-N211 WeakPolarHBondContact CD2-O 3.23Å; L205-A214 HydrophobicContact CD2-CB 3.99Å; L205-A214 HydrophobicContact CG-CB 3.85Å; L205-L215 HydrophobicContact CD1-CB 4.47Å; L205-L215 HydrophobicContact CD1-CD1 4Å; L205-L215 HydrophobicContact CD2-CB 3.9Å; L205-L215 HydrophobicContact CD2-CD1 4.47Å; L205-L218 HydrophobicContact CD1-CB 4.13Å; L205-L218 HydrophobicContact CD1-CD2 3.69Å; L205-W245 HydrophobicContact CD1-CZ3 4.38Å
206K97.8Very high97.5Very high174 Ų17462.9 Ų62.976%0.75729%0.285SS*.Hα-helixtrans-65.3-38.2174.3-173.8-179.3177.4-175.70111.2A202 Q203A202-K206 PolarHBondContact O-N 2.98Å; Q203-K206 WeakPolarHBondContact O-CB 3.44Å; Q203-K206 PolarHBondContact O-N 2.74Å; Q203-K206 VanDerWaalsContact O-N 3.12Å
207L97Very high97.4Very high56 Ų5661 Ų6129%0.29328%0.278SS..Hα-helixtrans-74.5-39.8175.9-66.8172.3000112.1H173 H175 Q203 A204 L205H173-L207 HydrophobicContact CB-CD2 4.45Å; H175-L207 HydrophobicContact CB-CB 3.66Å; H175-L207 HydrophobicContact CB-CD1 4.32Å; Q203-L207 HydrophobicContact CG-CD1 4.48Å; Q203-L207 WeakPolarHBondContact O-CG 3.29Å; Q203-L207 PolarHBondContact O-N 3.43Å; A204-L207 PolarHBondContact O-N 2.87Å; L205-L207 VanDerWaalsContact C-N 3.31Å
208N97.2Very high97.4Very high47 Ų4761.2 Ų61.225%0.25128%0.279SS..  trans-142.9103.3175.3-177.3-6.7000111.5H175 A204 L205 R210 N211H175-N208 HydrophobicContact CB-CB 3.88Å; H175-N208 VanDerWaalsContact CD2-CB 3.41Å; H175-N208 WeakPolarHBondContact CD2-CB 3.33Å; H175-N208 PolarHBondContact CD2-ND2 3.2Å; H175-N208 PolarHBondContact CE1-ND2 3.04Å; H175-N208 PolarHBondContact NE2-ND2 2.91Å; A204-N208 PolarHBondContact O-N 3.28Å; L205-N208 CarbonylContact O-C 3.35Å; N208-R210 PolarHBondContact O-N 2.89Å; N208-R210 VanDerWaalsContact O-N 3.16Å; N208-R210 WeakPolarHBondContact OD1-CB 3.41Å; N208-R210 PolarHBondContact OD1-N 3.47Å; N208-N211 HydrophobicContact CB-CB 4.45Å; N208-N211 WeakPolarHBondContact O-CB 3.45Å; N208-N211 PolarHBondContact O-N 3.46Å; N208-N211 VanDerWaalsContact O-N 3.14Å
209N94.1Very high97.4Very high132 Ų13260.2 Ų60.271%0.70628%0.275SS*.THydrogen-bonded Turntrans-71-7.4-178.366.516.1000114.6L205L205-N209 VanDerWaalsContact O-CA 3.29Å; L205-N209 WeakPolarHBondContact O-CA 3.38Å; L205-N209 PolarHBondContact O-N 3.46Å; L205-N209 VanDerWaalsContact O-N 3.1Å
210R92.9Very high97.3Very high217 Ų21757.5 Ų57.582%0.81926%0.264SS*.THydrogen-bonded Turntrans-97.10.3175-57.4-173.3179.1174.4-1112.7N208 M212N208-R210 PolarHBondContact O-N 2.89Å; N208-R210 VanDerWaalsContact O-N 3.16Å; N208-R210 WeakPolarHBondContact OD1-CB 3.41Å; N208-R210 PolarHBondContact OD1-N 3.47Å; R210-M212 PolarHBondContact O-N 2.85Å
211N95.9Very high97.3Very high15 Ų1554 Ų548%0.0825%0.251CS..  trans-71.395.3177.4-172.4-16.8000110.5H175 Q179 L205 N208 R213 A214 L215H175-N211 PolarHBondContact ND1-ND2 3.49Å; H175-N211 VanDerWaalsContact ND1-ND2 3.2Å; Q179-N211 PolarHBondContact OE1-ND2 3.23Å; L205-N211 WeakPolarHBondContact CD2-O 3.23Å; N208-N211 HydrophobicContact CB-CB 4.45Å; N208-N211 WeakPolarHBondContact O-CB 3.45Å; N208-N211 PolarHBondContact O-N 3.46Å; N208-N211 VanDerWaalsContact O-N 3.14Å; N211-R213 VanDerWaalsContact C-N 3.32Å; N211-R213 PolarHBondContact O-N 2.82Å; N211-R213 WeakPolarHBondContact OD1-CB 3.29Å; N211-R213 PolarHBondContact OD1-N 3.38Å; N211-R213 VanDerWaalsContact OD1-N 3.14Å; N211-A214 HydrophobicContact CB-CB 3.96Å; N211-A214 PolarHBondContact O-N 3.4Å; N211-A214 PolarHBondContact OD1-N 2.96Å; N211-A214 VanDerWaalsContact OD1-N 3.08Å; N211-L215 PolarHBondContact O-N 3.29Å
212M95.8Very high97.3Very high57 Ų5753.8 Ų53.828%0.28125%0.25SC..Hα-helixtrans-67.4-32.1-177.2-158.254.1-120.200112.6R210 L215 F216 I250 A253R210-M212 PolarHBondContact O-N 2.85Å; M212-L215 HydrophobicContact CE-CB 3.75Å; M212-L215 HydrophobicContact CE-CD2 3.69Å; M212-L215 HydrophobicContact CE-CG 3.86Å; M212-L215 PolarHBondContact O-N 3.45Å; M212-L215 HydrophobicContact SD-CB 4.35Å; M212-L215 HydrophobicContact SD-CD2 4Å; M212-F216 HydrophobicContact CE-CD2 3.4Å; M212-F216 VanDerWaalsContact CE-CD2 3.4Å; M212-F216 HydrophobicContact CE-CE1 4.42Å; M212-F216 HydrophobicContact CE-CE2 3.29Å; M212-F216 HydrophobicContact CE-CG 4.05Å; M212-F216 HydrophobicContact CE-CZ 3.85Å; M212-F216 HydrophobicContact CG-CD2 4.09Å; M212-F216 HydrophobicContact CG-CE2 3.9Å; M212-F216 VanDerWaalsContact O-CD2 3.3Å; M212-F216 WeakPolarHBondContact O-CD2 3.16Å; M212-F216 PolarHBondContact O-N 3.08Å; M212-F216 HydrophobicContact SD-CE2 4.4Å; M212-I250 HydrophobicContact CE-CB 4.22Å; M212-I250 HydrophobicContact CE-CG1 3.58Å; M212-I250 HydrophobicContact CE-CG2 4.17Å; M212-A253 HydrophobicContact SD-CB 4.2Å
213R97.4Very high97.2Very high172 Ų17252.8 Ų52.865%0.64924%0.24SC*.Hα-helixtrans-61.9-46.9173-72.2-173.4172.989.30.4110.8Q179 N211 L215 F216 G217Q179-R213 HydrophobicContact CG-CB 4.15Å; N211-R213 VanDerWaalsContact C-N 3.32Å; N211-R213 PolarHBondContact O-N 2.82Å; N211-R213 WeakPolarHBondContact OD1-CB 3.29Å; N211-R213 PolarHBondContact OD1-N 3.38Å; N211-R213 VanDerWaalsContact OD1-N 3.14Å; R213-L215 VanDerWaalsContact C-N 3.27Å; R213-L215 PolarHBondContact O-N 3.25Å; R213-F216 PolarHBondContact O-N 2.97Å; R213-G217 PolarHBondContact O-N 2.98Å
214A98.1Very high97.1Very high0 Ų052.5 Ų52.50%024%0.239CC..Hα-helixtrans-64.1-33.517700000112.7Q179 F201 A204 L205 N211 G217 L218Q179-A214 HydrophobicContact CG-CB 4.37Å; F201-A214 HydrophobicContact CD1-CB 4.14Å; A204-A214 HydrophobicContact CB-CB 3.83Å; L205-A214 HydrophobicContact CD2-CB 3.99Å; L205-A214 HydrophobicContact CG-CB 3.85Å; N211-A214 HydrophobicContact CB-CB 3.96Å; N211-A214 PolarHBondContact O-N 3.4Å; N211-A214 PolarHBondContact OD1-N 2.96Å; N211-A214 VanDerWaalsContact OD1-N 3.08Å; A214-G217 PolarHBondContact O-N 3.14Å; A214-L218 WeakPolarHBondContact O-CB 3.47Å; A214-L218 PolarHBondContact O-N 2.96Å
215L97.6Very high97.1Very high12 Ų1252.5 Ų52.56%0.06324%0.239CC..Hα-helixtrans-69.1-44177.8-172.354.3000112.5L205 N211 M212 R213 L218 Y219 W245 A246 Q249 I250L205-L215 HydrophobicContact CD1-CB 4.47Å; L205-L215 HydrophobicContact CD1-CD1 4Å; L205-L215 HydrophobicContact CD2-CB 3.9Å; L205-L215 HydrophobicContact CD2-CD1 4.47Å; N211-L215 PolarHBondContact O-N 3.29Å; M212-L215 HydrophobicContact CE-CB 3.75Å; M212-L215 HydrophobicContact CE-CD2 3.69Å; M212-L215 HydrophobicContact CE-CG 3.86Å; M212-L215 PolarHBondContact O-N 3.45Å; M212-L215 HydrophobicContact SD-CB 4.35Å; M212-L215 HydrophobicContact SD-CD2 4Å; R213-L215 VanDerWaalsContact C-N 3.27Å; R213-L215 PolarHBondContact O-N 3.25Å; L215-L218 PolarHBondContact O-N 3.36Å; L215-Y219 PolarHBondContact O-N 3.41Å; L215-Y219 VanDerWaalsContact O-N 3.14Å; L215-W245 HydrophobicContact CD1-CZ3 4.02Å; L215-A246 HydrophobicContact CD1-CB 4.03Å; L215-Q249 HydrophobicContact CD1-CB 3.96Å; L215-Q249 HydrophobicContact CD2-CB 3.63Å; L215-Q249 HydrophobicContact CG-CB 4.38Å; L215-I250 HydrophobicContact CD2-CG1 4Å; L215-I250 HydrophobicContact CG-CG1 3.81Å
216F97.9Very high97Very high50 Ų5052 Ų5222%0.21924%0.237CC..Hα-helixtrans-64.2-43.5171.3-81.7-64.1000111.9M212 R213 L218 Y219 M220 I250 Y254 M274M212-F216 HydrophobicContact CE-CD2 3.4Å; M212-F216 VanDerWaalsContact CE-CD2 3.4Å; M212-F216 HydrophobicContact CE-CE1 4.42Å; M212-F216 HydrophobicContact CE-CE2 3.29Å; M212-F216 HydrophobicContact CE-CG 4.05Å; M212-F216 HydrophobicContact CE-CZ 3.85Å; M212-F216 HydrophobicContact CG-CD2 4.09Å; M212-F216 HydrophobicContact CG-CE2 3.9Å; M212-F216 VanDerWaalsContact O-CD2 3.3Å; M212-F216 WeakPolarHBondContact O-CD2 3.16Å; M212-F216 PolarHBondContact O-N 3.08Å; M212-F216 HydrophobicContact SD-CE2 4.4Å; R213-F216 PolarHBondContact O-N 2.97Å; F216-L218 VanDerWaalsContact C-N 3.32Å; F216-L218 PolarHBondContact O-N 3.3Å; F216-Y219 WeakPolarHBondContact O-CB 3.3Å; F216-Y219 PolarHBondContact O-N 3.44Å; F216-Y219 VanDerWaalsContact O-N 3.13Å; F216-M220 WeakPolarHBondContact O-CG 3.42Å; F216-M220 PolarHBondContact O-N 3.07Å; F216-I250 HydrophobicContact CD1-CD1 3.72Å; F216-I250 HydrophobicContact CD1-CG1 4.32Å; F216-I250 HydrophobicContact CE1-CD1 3.82Å; F216-I250 HydrophobicContact CE1-CG1 4.16Å; F216-I250 HydrophobicContact CE1-CG2 3.73Å; F216-I250 HydrophobicContact CG-CD1 4.48Å; F216-I250 HydrophobicContact CZ-CG2 3.74Å; F216-Y254 HydrophobicContact CE2-CE2 4.32Å; F216-Y254 AromaticContact CZ-CE2 3.87Å; F216-Y254 HydrophobicContact CZ-CE2 3.87Å; F216-M274 HydrophobicContact CE1-CE 3.81Å
217G97.9Very high96.8Very high10 Ų1046.5 Ų46.510%0.10322%0.22CC..Hα-helixtrans-57.8-42.9176.400000113F201 R213 A214 M220 S221F201-G217 VanDerWaalsContact CD2-O 3.31Å; F201-G217 WeakPolarHBondContact CD2-O 3.37Å; F201-G217 VanDerWaalsContact CE2-C 3.46Å; F201-G217 VanDerWaalsContact CZ-CA 3.48Å; R213-G217 PolarHBondContact O-N 2.98Å; A214-G217 PolarHBondContact O-N 3.14Å; G217-M220 PolarHBondContact O-N 3.37Å; G217-S221 VanDerWaalsContact O-CB 3.29Å; G217-S221 WeakPolarHBondContact O-CB 3.27Å; G217-S221 PolarHBondContact O-N 3.21Å; G217-S221 PolarHBondContact O-OG 2.92Å
218L98.4Very high96.7Very high4 Ų445.2 Ų45.22%0.02121%0.214CC..Hα-helixtrans-61.1-45.3174.2179.366.7000111.7R198 F201 A202 L205 A214 L215 F216 S221 A222 W245 A246R198-L218 HydrophobicContact CG-CD1 3.57Å; F201-L218 HydrophobicContact CB-CB 4.08Å; A202-L218 HydrophobicContact CB-CD1 4.21Å; L205-L218 HydrophobicContact CD1-CB 4.13Å; L205-L218 HydrophobicContact CD1-CD2 3.69Å; A214-L218 WeakPolarHBondContact O-CB 3.47Å; A214-L218 PolarHBondContact O-N 2.96Å; L215-L218 PolarHBondContact O-N 3.36Å; F216-L218 VanDerWaalsContact C-N 3.32Å; F216-L218 PolarHBondContact O-N 3.3Å; L218-S221 PolarHBondContact O-OG 3.45Å; L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 3.35Å; L218-W245 HydrophobicContact CD2-CE3 3.88Å; L218-W245 HydrophobicContact CD2-CZ3 3.57Å; L218-A246 HydrophobicContact CD2-CB 4.17Å; L218-A246 HydrophobicContact CG-CB 4.29Å
219Y97.9Very high96.5Very high7 Ų748.3 Ų48.33%0.02724%0.237CC..Hα-helixtrans-60.7-50.4177.5170.6-104.3000112L215 F216 S223 A243 A247 I250 L275 L278L215-Y219 PolarHBondContact O-N 3.41Å; L215-Y219 VanDerWaalsContact O-N 3.14Å; F216-Y219 WeakPolarHBondContact O-CB 3.3Å; F216-Y219 PolarHBondContact O-N 3.44Å; F216-Y219 VanDerWaalsContact O-N 3.13Å; Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3.19Å; Y219-S223 PolarHBondContact O-OG 3.05Å; Y219-A243 HydrophobicContact CD2-CB 4.16Å; Y219-A243 WeakPolarHBondContact CD2-O 3.32Å; Y219-A243 HydrophobicContact CE2-CB 4.3Å; Y219-A247 HydrophobicContact CD2-CB 4.07Å; Y219-A247 HydrophobicContact CE2-CB 3.99Å; Y219-I250 HydrophobicContact CD1-CD1 4.48Å; Y219-I250 HydrophobicContact CG-CD1 4.08Å; Y219-L275 HydrophobicContact CD1-CD2 4.03Å; Y219-L275 HydrophobicContact CD2-CD2 4.03Å; Y219-L275 HydrophobicContact CE1-CD2 3.52Å; Y219-L275 HydrophobicContact CE2-CD2 3.54Å; Y219-L275 HydrophobicContact CG-CD2 4.25Å; Y219-L275 WeakPolarHBondContact OH-CA 3.37Å; Y219-L275 PolarHBondContact OH-O 3.23Å; Y219-L278 HydrophobicContact CE1-CB 4.25Å; Y219-L278 HydrophobicContact CE1-CD1 3.74Å; Y219-L278 WeakPolarHBondContact OH-CB 3.33Å
220M97.7Very high96.6Very high51 Ų5150.5 Ų50.525%0.25124%0.24SC..Hα-helixtrans-65-48.7-177.3-66.6-58.5-67.300111.6Y186 F216 G217 A222 S223 H224 L278Y186-M220 HydrophobicContact CE2-CB 3.89Å; F216-M220 WeakPolarHBondContact O-CG 3.42Å; F216-M220 PolarHBondContact O-N 3.07Å; G217-M220 PolarHBondContact O-N 3.37Å; M220-A222 PolarHBondContact O-N 3.03Å; M220-S223 PolarHBondContact O-N 3.09Å; M220-H224 PolarHBondContact O-CD2 3.21Å; M220-H224 VanDerWaalsContact O-CD2 3.24Å; M220-H224 PolarHBondContact O-N 3.26Å; M220-L278 HydrophobicContact CE-CD1 4.25Å; M220-L278 HydrophobicContact SD-CD1 3.77Å
221S98.1Very high96.7Very high0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-61.2-44.9178.855.70000112R198 G217 L218 H224 I225R198-S221 WeakPolarHBondContact CA-OG 3.31Å; R198-S221 WeakPolarHBondContact CB-OG 3.4Å; G217-S221 VanDerWaalsContact O-CB 3.29Å; G217-S221 WeakPolarHBondContact O-CB 3.27Å; G217-S221 PolarHBondContact O-N 3.21Å; G217-S221 PolarHBondContact O-OG 2.92Å; L218-S221 PolarHBondContact O-OG 3.45Å; S221-H224 PolarHBondContact O-N 3.38Å; S221-I225 WeakPolarHBondContact O-CD1 3.24Å; S221-I225 VanDerWaalsContact O-CG1 3.22Å; S221-I225 WeakPolarHBondContact O-CG1 3.5Å; S221-I225 PolarHBondContact O-N 3.28Å
222A98Very high96.7Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-63.5-42.6175.900000112.4R198 L218 M220 H224 I225 A226 N239 A243R198-A222 HydrophobicContact CG-CB 4.47Å; L218-A222 WeakPolarHBondContact O-CB 3.39Å; L218-A222 PolarHBondContact O-N 3.35Å; M220-A222 PolarHBondContact O-N 3.03Å; A222-H224 PolarHBondContact O-N 2.83Å; A222-I225 PolarHBondContact O-N 3.04Å; A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.16Å; A222-N239 HydrophobicContact CB-CB 4.4Å; A222-N239 WeakPolarHBondContact O-CB 3.47Å; A222-A243 HydrophobicContact CB-CB 3.99Å
223S96.8Very high96.7Very high14 Ų1444.3 Ų44.310%0.09824%0.242CC..Hα-helixtrans-64.4-40.8179.1-57.70000112Y219 M220 A226 S227 A243Y219-S223 WeakPolarHBondContact O-CB 3.34Å; Y219-S223 PolarHBondContact O-N 3.19Å; Y219-S223 PolarHBondContact O-OG 3.05Å; M220-S223 PolarHBondContact O-N 3.09Å; S223-A226 PolarHBondContact O-N 3Å; S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 3.33Å; S223-A243 WeakPolarHBondContact OG-CB 3.29Å
224H96.6Very high96.7Very high69 Ų6943.5 Ų43.532%0.31924%0.243SC..Hα-helixtrans-65.7-40.3173.9-79.1-56.5000113Y186 F194 M220 S221 A222 A226 S227 N228Y186-H224 AromaticContact CE2-CD2 3.88Å; Y186-H224 AromaticContact CZ-CD2 3.71Å; Y186-H224 PolarHBondContact OH-CD2 3.4Å; Y186-H224 PolarHBondContact OH-NE2 2.85Å; F194-H224 HydrophobicContact CD2-CB 4.41Å; F194-H224 HydrophobicContact CE2-CB 4.42Å; M220-H224 PolarHBondContact O-CD2 3.21Å; M220-H224 VanDerWaalsContact O-CD2 3.24Å; M220-H224 PolarHBondContact O-N 3.26Å; S221-H224 PolarHBondContact O-N 3.38Å; A222-H224 PolarHBondContact O-N 2.83Å; H224-A226 VanDerWaalsContact C-N 3.33Å; H224-A226 PolarHBondContact O-N 2.94Å; H224-S227 WeakPolarHBondContact CA-OG 3.41Å; H224-S227 PolarHBondContact O-N 3.1Å; H224-S227 PolarHBondContact O-OG 2.74Å; H224-S227 VanDerWaalsContact O-OG 3.1Å; H224-N228 WeakPolarHBondContact O-CB 3.42Å; H224-N228 PolarHBondContact O-N 2.93Å
225I97.3Very high96.6Very high0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-63.8-41.6174.5-64158000110.8L191 F194 E195 R198 S221 A222 S227 N228 A231 M235 N239L191-I225 HydrophobicContact CD1-CG1 4.38Å; L191-I225 HydrophobicContact CD1-CG2 4.14Å; F194-I225 HydrophobicContact CB-CD1 4.2Å; F194-I225 HydrophobicContact CB-CG1 3.72Å; E195-I225 HydrophobicContact CB-CD1 4.5Å; E195-I225 HydrophobicContact CG-CD1 4.02Å; E195-I225 HydrophobicContact CG-CG1 4.37Å; R198-I225 HydrophobicContact CB-CD1 4.1Å; S221-I225 WeakPolarHBondContact O-CD1 3.24Å; S221-I225 VanDerWaalsContact O-CG1 3.22Å; S221-I225 WeakPolarHBondContact O-CG1 3.5Å; S221-I225 PolarHBondContact O-N 3.28Å; A222-I225 PolarHBondContact O-N 3.04Å; I225-S227 VanDerWaalsContact C-N 3.31Å; I225-S227 PolarHBondContact O-N 3Å; I225-N228 PolarHBondContact O-N 3.14Å; I225-A231 WeakPolarHBondContact O-CB 3.35Å; I225-M235 HydrophobicContact CG2-CE 4.37Å; I225-M235 HydrophobicContact CG2-CG 3.62Å; I225-M235 HydrophobicContact CG2-SD 4.12Å; I225-N239 HydrophobicContact CB-CB 4.11Å; I225-N239 WeakPolarHBondContact CD1-OD1 3.16Å; I225-N239 HydrophobicContact CG2-CB 4.04Å; I225-N239 VanDerWaalsContact CG2-CG 3.47Å; I225-N239 WeakPolarHBondContact CG2-ND2 3.37Å
226A96.4Very high96.5Very high4 Ų447.3 Ų47.33%0.03326%0.26CS..Hα-helixtrans-64-34.3-179.700000113.4A222 S223 H224 K236 N239 M240 I280A222-A226 WeakPolarHBondContact O-CB 3.45Å; A222-A226 PolarHBondContact O-N 3.16Å; S223-A226 PolarHBondContact O-N 3Å; H224-A226 VanDerWaalsContact C-N 3.33Å; H224-A226 PolarHBondContact O-N 2.94Å; A226-K236 WeakPolarHBondContact O-CD 3.39Å; A226-K236 WeakPolarHBondContact O-CG 3.32Å; A226-N239 HydrophobicContact CB-CB 4.13Å; A226-M240 HydrophobicContact CB-CG 3.79Å; A226-I280 HydrophobicContact CB-CD1 3.72Å
227S94.4Very high96.5Very high59 Ų5951.4 Ų51.441%0.41328%0.278SS..Hα-helixtrans-86.3-15.6177.448.80000113.5S223 H224 I225 I280S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 3.33Å; H224-S227 WeakPolarHBondContact CA-OG 3.41Å; H224-S227 PolarHBondContact O-N 3.1Å; H224-S227 PolarHBondContact O-OG 2.74Å; H224-S227 VanDerWaalsContact O-OG 3.1Å; I225-S227 VanDerWaalsContact C-N 3.31Å; I225-S227 PolarHBondContact O-N 3Å; S227-I280 VanDerWaalsContact CB-CD1 3.5Å; S227-I280 VanDerWaalsContact N-CD1 3.31Å
228N94.2Very high96.4Very high29 Ų2953.5 Ų53.516%0.15529%0.287CS..  trans-66.7123.8-173.4-163.5-50.6000111.5L191 H224 I225 K230 A231 K236L191-N228 HydrophobicContact CD1-CB 3.96Å; H224-N228 WeakPolarHBondContact O-CB 3.42Å; H224-N228 PolarHBondContact O-N 2.93Å; I225-N228 PolarHBondContact O-N 3.14Å; N228-K230 PolarHBondContact O-N 3.49Å; N228-K230 WeakPolarHBondContact OD1-CB 3.45Å; N228-K230 PolarHBondContact OD1-N 3.37Å; N228-A231 HydrophobicContact CB-CB 4.26Å; N228-A231 WeakPolarHBondContact O-CB 3.22Å; N228-A231 PolarHBondContact O-N 2.9Å; N228-K236 WeakPolarHBondContact O-CE 3.16Å; N228-K236 PolarHBondContact O-NZ 3.49Å
229P93.9Very high96.3Very high113 Ų11353.6 Ų53.673%0.73429%0.288SS*.THydrogen-bonded Turntrans-62.4-27.8-179.124.5-34.2000113.1A231P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 3.36Å
230K95Very high96.2Very high178 Ų17856.3 Ų56.377%0.77430%0.301SS*.THydrogen-bonded Turntrans-77.6-11.3178.9-59.7-178.6-179.8-178.60113.2L191 N228L191-K230 HydrophobicContact CD2-CB 4.03Å; N228-K230 PolarHBondContact O-N 3.49Å; N228-K230 WeakPolarHBondContact OD1-CB 3.45Å; N228-K230 PolarHBondContact OD1-N 3.37Å
231A95.3Very high96.2Very high8 Ų859.8 Ų59.87%0.06632%0.315CS..SBendtrans-76.3137.4179.300000111.9L191 I225 N228 P229 M235 K236L191-A231 HydrophobicContact CD1-CB 4.22Å; L191-A231 HydrophobicContact CD2-CB 4.41Å; I225-A231 WeakPolarHBondContact O-CB 3.35Å; N228-A231 HydrophobicContact CB-CB 4.26Å; N228-A231 WeakPolarHBondContact O-CB 3.22Å; N228-A231 PolarHBondContact O-N 2.9Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 3.36Å; A231-M235 HydrophobicContact CB-CE 3.55Å; A231-M235 HydrophobicContact CB-CG 4.46Å; A231-K236 HydrophobicContact CB-CG 3.8Å; A231-K236 VanDerWaalsContact O-CE 3.27Å; A231-K236 WeakPolarHBondContact O-CE 3.31Å
232S96.7Very high96.1Very high67 Ų6764.8 Ų64.847%0.46934%0.335SS..  trans-63.2153.817472.10000111.6K234 M235 K236S232-K234 PolarHBondContact O-N 2.99Å; S232-M235 WeakPolarHBondContact O-CB 3.32Å; S232-M235 PolarHBondContact O-N 3.1Å; S232-M235 WeakPolarHBondContact OG-CB 3.4Å; S232-M235 PolarHBondContact OG-N 3.06Å; S232-K236 WeakPolarHBondContact O-CG 3.29Å; S232-K236 PolarHBondContact O-N 3.34Å
233A96.2Very high96Very high84 Ų8465.2 Ų65.269%0.69434%0.338SS*.Hα-helixtrans-55.8-38.7179.500000112.8K236 K237A233-K236 PolarHBondContact O-N 3.36Å; A233-K237 WeakPolarHBondContact O-CB 3.25Å; A233-K237 PolarHBondContact O-N 3.28Å
234K96.5Very high95.8Very high155 Ų15567.8 Ų67.867%0.67436%0.356SS*.Hα-helixtrans-61.3-49.6174.2-178.5179.4177.8-176.80111.1S232 K236 K237 D238S232-K234 PolarHBondContact O-N 2.99Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 2.85Å; K234-K237 PolarHBondContact O-N 3.47Å; K234-D238 PolarHBondContact O-N 2.89Å
235M95.7Very high95.8Very high31 Ų3170.5 Ų70.515%0.15336%0.363CS..Hα-helixtrans-61.3-41.6-179.9-174.6153.970.500111.8L191 E195 I225 A231 S232 D238 N239L191-M235 HydrophobicContact CD1-CE 3.93Å; L191-M235 HydrophobicContact CD2-CE 3.66Å; L191-M235 HydrophobicContact CG-CE 3.98Å; E195-M235 HydrophobicContact CG-SD 3.99Å; I225-M235 HydrophobicContact CG2-CE 4.37Å; I225-M235 HydrophobicContact CG2-CG 3.62Å; I225-M235 HydrophobicContact CG2-SD 4.12Å; A231-M235 HydrophobicContact CB-CE 3.55Å; A231-M235 HydrophobicContact CB-CG 4.46Å; S232-M235 WeakPolarHBondContact O-CB 3.32Å; S232-M235 PolarHBondContact O-N 3.1Å; S232-M235 WeakPolarHBondContact OG-CB 3.4Å; S232-M235 PolarHBondContact OG-N 3.06Å; M235-D238 PolarHBondContact O-N 3.02Å; M235-N239 WeakPolarHBondContact CG-ND2 3.15Å; M235-N239 WeakPolarHBondContact O-CB 3.46Å; M235-N239 PolarHBondContact O-N 2.93Å; M235-N239 PolarHBondContact O-ND2 3.16Å
236K95.9Very high95.7Very high61 Ų6170.5 Ų70.527%0.26536%0.363SS..Hα-helixtrans-59.2-50174.6-67.5-176.7174.8179.30111.7A226 N228 A231 S232 A233 K234 D238 N239 M240A226-K236 WeakPolarHBondContact O-CD 3.39Å; A226-K236 WeakPolarHBondContact O-CG 3.32Å; N228-K236 WeakPolarHBondContact O-CE 3.16Å; N228-K236 PolarHBondContact O-NZ 3.49Å; A231-K236 HydrophobicContact CB-CG 3.8Å; A231-K236 VanDerWaalsContact O-CE 3.27Å; A231-K236 WeakPolarHBondContact O-CE 3.31Å; S232-K236 WeakPolarHBondContact O-CG 3.29Å; S232-K236 PolarHBondContact O-N 3.34Å; A233-K236 PolarHBondContact O-N 3.36Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 2.85Å; K236-D238 PolarHBondContact O-N 3.46Å; K236-N239 PolarHBondContact O-N 2.95Å; K236-M240 WeakPolarHBondContact O-CG 3.36Å; K236-M240 PolarHBondContact O-N 3.33Å
237K96.9Very high95.6Very high135 Ų13570.8 Ų70.859%0.58737%0.366SS*.Hα-helixtrans-60-43.3179.8-174.2177.2-176.91750112.6A233 K234 K241A233-K237 WeakPolarHBondContact O-CB 3.25Å; A233-K237 PolarHBondContact O-N 3.28Å; K234-K237 PolarHBondContact O-N 3.47Å; K237-K241 PolarHBondContact O-N 3.04Å
238D96.1Very high95.5Very high55 Ų5571.8 Ų71.829%0.29437%0.367SS..Hα-helixtrans-67.9-39.7179.2-69.9-20.8000111.3K234 M235 K236 K241 Y242K234-D238 PolarHBondContact O-N 2.89Å; M235-D238 PolarHBondContact O-N 3.02Å; K236-D238 PolarHBondContact O-N 3.46Å; D238-K241 WeakPolarHBondContact O-CB 3.42Å; D238-K241 PolarHBondContact O-N 3.03Å; D238-Y242 HydrophobicContact CB-CE2 4.49Å; D238-Y242 WeakPolarHBondContact O-CD2 3.35Å; D238-Y242 PolarHBondContact O-N 3.45Å; D238-Y242 VanDerWaalsContact O-N 3.12Å
239N97.1Very high95.4Very high6 Ų673 Ų733%0.03237%0.372CS..Hα-helixtrans-72.2-31.4178-77-80.1000113.8R198 A222 I225 A226 M235 K236 K241 Y242 A243R198-N239 WeakPolarHBondContact CD-OD1 3.32Å; R198-N239 PolarHBondContact NE-OD1 2.68Å; A222-N239 HydrophobicContact CB-CB 4.4Å; A222-N239 WeakPolarHBondContact O-CB 3.47Å; I225-N239 HydrophobicContact CB-CB 4.11Å; I225-N239 WeakPolarHBondContact CD1-OD1 3.16Å; I225-N239 HydrophobicContact CG2-CB 4.04Å; I225-N239 VanDerWaalsContact CG2-CG 3.47Å; I225-N239 WeakPolarHBondContact CG2-ND2 3.37Å; A226-N239 HydrophobicContact CB-CB 4.13Å; M235-N239 WeakPolarHBondContact CG-ND2 3.15Å; M235-N239 WeakPolarHBondContact O-CB 3.46Å; M235-N239 PolarHBondContact O-N 2.93Å; M235-N239 PolarHBondContact O-ND2 3.16Å; K236-N239 PolarHBondContact O-N 2.95Å; N239-K241 VanDerWaalsContact C-N 3.25Å; N239-K241 PolarHBondContact O-N 3.47Å; N239-Y242 PolarHBondContact O-N 3.31Å; N239-A243 WeakPolarHBondContact O-CB 3.42Å; N239-A243 PolarHBondContact O-N 2.85Å
240M96.5Very high95.3Very high63 Ų6367.7 Ų67.731%0.3134%0.337SS..Hα-helixtrans-59-38.4168.3-72.8176.8-175.400111.8A226 K236 S244 I280A226-M240 HydrophobicContact CB-CG 3.79Å; K236-M240 WeakPolarHBondContact O-CG 3.36Å; K236-M240 PolarHBondContact O-N 3.33Å; M240-S244 VanDerWaalsContact O-CB 3.31Å; M240-S244 WeakPolarHBondContact O-CB 3.32Å; M240-S244 PolarHBondContact O-N 3.31Å; M240-I280 HydrophobicContact CE-CD1 4.46Å
241K97.1Very high95Very high125 Ų12560.6 Ų60.654%0.54331%0.308SS..Hα-helixtrans-67.2-44.1175.5-64.5172.3-177.6172.30111.9K237 D238 N239 S244 W245K237-K241 PolarHBondContact O-N 3.04Å; D238-K241 WeakPolarHBondContact O-CB 3.42Å; D238-K241 PolarHBondContact O-N 3.03Å; N239-K241 VanDerWaalsContact C-N 3.25Å; N239-K241 PolarHBondContact O-N 3.47Å; K241-S244 PolarHBondContact O-N 3.45Å; K241-W245 WeakPolarHBondContact O-CB 3.26Å; K241-W245 PolarHBondContact O-N 3.06Å
242Y96.1Very high94.7Very high105 Ų10566.7 Ų66.741%0.41233%0.329SS..Hα-helixtrans-61-45.3176-71.1-60.1000111.7D238 N239 W245 A246D238-Y242 HydrophobicContact CB-CE2 4.49Å; D238-Y242 WeakPolarHBondContact O-CD2 3.35Å; D238-Y242 PolarHBondContact O-N 3.45Å; D238-Y242 VanDerWaalsContact O-N 3.12Å; N239-Y242 PolarHBondContact O-N 3.31Å; Y242-W245 PolarHBondContact O-N 3.04Å; Y242-A246 WeakPolarHBondContact O-CB 3.4Å; Y242-A246 PolarHBondContact O-N 3.02Å
243A95.1Very high94.3Very high9 Ų965.4 Ų65.47%0.07432%0.322CS..Hα-helixtrans-62-48.517700000111.5Y219 A222 S223 N239 W245 A246 A247Y219-A243 HydrophobicContact CD2-CB 4.16Å; Y219-A243 WeakPolarHBondContact CD2-O 3.32Å; Y219-A243 HydrophobicContact CE2-CB 4.3Å; A222-A243 HydrophobicContact CB-CB 3.99Å; S223-A243 WeakPolarHBondContact OG-CB 3.29Å; N239-A243 WeakPolarHBondContact O-CB 3.42Å; N239-A243 PolarHBondContact O-N 2.85Å; A243-W245 VanDerWaalsContact C-N 3.34Å; A243-W245 PolarHBondContact O-N 2.86Å; A243-A246 PolarHBondContact O-N 3.27Å; A243-A247 VanDerWaalsContact O-CB 3.31Å; A243-A247 WeakPolarHBondContact O-CB 2.97Å; A243-A247 PolarHBondContact O-N 3.28Å
244S93.7Very high93.8Very high68 Ų6864.6 Ų64.648%0.47630%0.302SS..Hα-helixtrans-61.2-40.7177.2-179.20000112.4M240 K241 N248M240-S244 VanDerWaalsContact O-CB 3.31Å; M240-S244 WeakPolarHBondContact O-CB 3.32Å; M240-S244 PolarHBondContact O-N 3.31Å; K241-S244 PolarHBondContact O-N 3.45Å; S244-N248 WeakPolarHBondContact O-CB 3.35Å; S244-N248 PolarHBondContact O-N 2.78Å; S244-N248 PolarHBondContact O-ND2 3.32Å
245W96.5Very high93.2Very high125 Ų12561 Ų6147%0.47329%0.287SS..Hα-helixtrans-61.7-48.6174.2177.288.4000111.3L205 L215 L218 K241 Y242 A243 N248 Q249L205-W245 HydrophobicContact CD1-CZ3 4.38Å; L215-W245 HydrophobicContact CD1-CZ3 4.02Å; L218-W245 HydrophobicContact CD2-CE3 3.88Å; L218-W245 HydrophobicContact CD2-CZ3 3.57Å; K241-W245 WeakPolarHBondContact O-CB 3.26Å; K241-W245 PolarHBondContact O-N 3.06Å; Y242-W245 PolarHBondContact O-N 3.04Å; A243-W245 VanDerWaalsContact C-N 3.34Å; A243-W245 PolarHBondContact O-N 2.86Å; W245-N248 PolarHBondContact O-N 3.49Å; W245-Q249 HydrophobicContact CD2-CG 4.04Å; W245-Q249 HydrophobicContact CE3-CG 4.23Å; W245-Q249 HydrophobicContact CH2-CG 3.9Å; W245-Q249 HydrophobicContact CZ2-CG 3.69Å; W245-Q249 HydrophobicContact CZ3-CG 4.15Å; W245-Q249 WeakPolarHBondContact O-CG 3.43Å; W245-Q249 PolarHBondContact O-N 2.99Å
246A95.3Very high92.5Very high0 Ų065.9 Ų65.90%031%0.308CS..Hα-helixtrans-62.8-44.6-179.500000111.5L215 L218 Y242 A243 N248 Q249 I250L215-A246 HydrophobicContact CD1-CB 4.03Å; L218-A246 HydrophobicContact CD2-CB 4.17Å; L218-A246 HydrophobicContact CG-CB 4.29Å; Y242-A246 WeakPolarHBondContact O-CB 3.4Å; Y242-A246 PolarHBondContact O-N 3.02Å; A243-A246 PolarHBondContact O-N 3.27Å; A246-N248 VanDerWaalsContact C-N 3.33Å; A246-N248 PolarHBondContact O-N 3.19Å; A246-Q249 PolarHBondContact O-N 3.03Å; A246-Q249 VanDerWaalsContact O-N 3.09Å; A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.49Å
247A92.7Very high91.6Very high11 Ų1165.8 Ų65.89%0.09132%0.318CS..Hα-helixtrans-54.6-46.1173.900000112.2Y219 A243 Q249 I250 N251 L275Y219-A247 HydrophobicContact CD2-CB 4.07Å; Y219-A247 HydrophobicContact CE2-CB 3.99Å; A243-A247 VanDerWaalsContact O-CB 3.31Å; A243-A247 WeakPolarHBondContact O-CB 2.97Å; A243-A247 PolarHBondContact O-N 3.28Å; A247-Q249 PolarHBondContact O-N 2.91Å; A247-I250 WeakPolarHBondContact O-CB 3.18Å; A247-I250 PolarHBondContact O-N 3.33Å; A247-N251 PolarHBondContact O-N 3.45Å; A247-L275 HydrophobicContact CB-CD1 4.03Å; A247-L275 HydrophobicContact CB-CD2 3.84Å; A247-L275 HydrophobicContact CB-CG 4.47Å
248N92.4Very high90.1Very high80 Ų8060.3 Ų60.343%0.42830%0.3SS..Hα-helixtrans-63.1-39.1176-78-51.3000112.7S244 W245 A246 R252S244-N248 WeakPolarHBondContact O-CB 3.35Å; S244-N248 PolarHBondContact O-N 2.78Å; S244-N248 PolarHBondContact O-ND2 3.32Å; W245-N248 PolarHBondContact O-N 3.49Å; A246-N248 VanDerWaalsContact C-N 3.33Å; A246-N248 PolarHBondContact O-N 3.19Å; N248-R252 VanDerWaalsContact O-CG 3.27Å; N248-R252 WeakPolarHBondContact O-CG 3.36Å; N248-R252 PolarHBondContact O-N 2.93Å
249Q93.6Very high88.5Confident55 Ų5566.8 Ų66.826%0.25732%0.321SS..Hα-helixtrans-68-40.2175.2-62.2-50.6-42.800111.8L215 W245 A246 A247 R252 A253L215-Q249 HydrophobicContact CD1-CB 3.96Å; L215-Q249 HydrophobicContact CD2-CB 3.63Å; L215-Q249 HydrophobicContact CG-CB 4.38Å; W245-Q249 HydrophobicContact CD2-CG 4.04Å; W245-Q249 HydrophobicContact CE3-CG 4.23Å; W245-Q249 HydrophobicContact CH2-CG 3.9Å; W245-Q249 HydrophobicContact CZ2-CG 3.69Å; W245-Q249 HydrophobicContact CZ3-CG 4.15Å; W245-Q249 WeakPolarHBondContact O-CG 3.43Å; W245-Q249 PolarHBondContact O-N 2.99Å; A246-Q249 PolarHBondContact O-N 3.03Å; A246-Q249 VanDerWaalsContact O-N 3.09Å; A247-Q249 PolarHBondContact O-N 2.91Å; Q249-R252 PolarHBondContact O-N 3.28Å; Q249-A253 WeakPolarHBondContact O-CB 3.34Å; Q249-A253 PolarHBondContact O-N 3.33Å
250I91.5Very high86.5Confident0 Ų071.8 Ų71.80%035%0.354CS..Hα-helixtrans-57.4-53.7174.6-66.3160.4000108.8M212 L215 F216 Y219 A246 A247 R252 A253 Y254 V271 L275M212-I250 HydrophobicContact CE-CB 4.22Å; M212-I250 HydrophobicContact CE-CG1 3.58Å; M212-I250 HydrophobicContact CE-CG2 4.17Å; L215-I250 HydrophobicContact CD2-CG1 4Å; L215-I250 HydrophobicContact CG-CG1 3.81Å; F216-I250 HydrophobicContact CD1-CD1 3.72Å; F216-I250 HydrophobicContact CD1-CG1 4.32Å; F216-I250 HydrophobicContact CE1-CD1 3.82Å; F216-I250 HydrophobicContact CE1-CG1 4.16Å; F216-I250 HydrophobicContact CE1-CG2 3.73Å; F216-I250 HydrophobicContact CG-CD1 4.48Å; F216-I250 HydrophobicContact CZ-CG2 3.74Å; Y219-I250 HydrophobicContact CD1-CD1 4.48Å; Y219-I250 HydrophobicContact CG-CD1 4.08Å; A246-I250 VanDerWaalsContact O-CG1 3.24Å; A246-I250 WeakPolarHBondContact O-CG1 3.49Å; A246-I250 PolarHBondContact O-N 3.49Å; A247-I250 WeakPolarHBondContact O-CB 3.18Å; A247-I250 PolarHBondContact O-N 3.33Å; I250-R252 VanDerWaalsContact C-N 3.32Å; I250-R252 PolarHBondContact O-N 2.91Å; I250-A253 WeakPolarHBondContact O-CB 3.17Å; I250-A253 PolarHBondContact O-N 2.97Å; I250-Y254 HydrophobicContact CG2-CD2 3.94Å; I250-Y254 HydrophobicContact CG2-CE2 3.98Å; I250-Y254 WeakPolarHBondContact O-CD2 3.39Å; I250-Y254 PolarHBondContact O-N 3.5Å; I250-V271 HydrophobicContact CG2-CG1 3.68Å; I250-L275 HydrophobicContact CD1-CD2 4.38Å
251N88.6Confident84.5Confident30 Ų3076.2 Ų76.216%0.1637%0.372CS..Hα-helixtrans-57-44.7179.6-76.4-12.6000112A247 A253 Y254 Q255 L275A247-N251 PolarHBondContact O-N 3.45Å; N251-A253 PolarHBondContact O-N 3.35Å; N251-Y254 PolarHBondContact O-N 2.59Å; N251-Q255 VanDerWaalsContact O-CG 3.3Å; N251-Q255 WeakPolarHBondContact O-CG 3.42Å; N251-Q255 PolarHBondContact O-N 2.88Å; N251-L275 VanDerWaalsContact OD1-CD1 3.23Å; N251-L275 WeakPolarHBondContact OD1-CD1 3.31Å
252R88.9Confident82.5Confident136 Ų13681 Ų8151%0.51339%0.393SS..Hα-helixtrans-59.5-46.9174.8-74.1173.6-177.2-171.60.9111.8N248 Q249 I250 Y254 Q255 F256N248-R252 VanDerWaalsContact O-CG 3.27Å; N248-R252 WeakPolarHBondContact O-CG 3.36Å; N248-R252 PolarHBondContact O-N 2.93Å; Q249-R252 PolarHBondContact O-N 3.28Å; I250-R252 VanDerWaalsContact C-N 3.32Å; I250-R252 PolarHBondContact O-N 2.91Å; R252-Y254 VanDerWaalsContact C-N 3.3Å; R252-Y254 PolarHBondContact O-N 3.32Å; R252-Q255 PolarHBondContact O-N 2.89Å; R252-F256 WeakPolarHBondContact O-CD2 3.43Å; R252-F256 PolarHBondContact O-N 3.39Å
253A88.6Confident80.4Confident39 Ų3984.5 Ų84.532%0.32241%0.413SS..Hα-helixtrans-57.8-43.3179.600000111.7M212 Q249 I250 N251 F256 A257M212-A253 HydrophobicContact SD-CB 4.2Å; Q249-A253 WeakPolarHBondContact O-CB 3.34Å; Q249-A253 PolarHBondContact O-N 3.33Å; I250-A253 WeakPolarHBondContact O-CB 3.17Å; I250-A253 PolarHBondContact O-N 2.97Å; N251-A253 PolarHBondContact O-N 3.35Å; A253-F256 PolarHBondContact O-N 2.91Å; A253-A257 WeakPolarHBondContact O-CB 3.34Å; A253-A257 PolarHBondContact O-N 3.01Å
254Y85.4Confident78.5Confident68 Ų6885.5 Ų85.527%0.26742%0.418SS..Hα-helixtrans-68.9-37.5175.6-84.4-94.8000113.2F216 I250 N251 R252 F256 A257 G258 V271F216-Y254 HydrophobicContact CE2-CE2 4.32Å; F216-Y254 AromaticContact CZ-CE2 3.87Å; F216-Y254 HydrophobicContact CZ-CE2 3.87Å; I250-Y254 HydrophobicContact CG2-CD2 3.94Å; I250-Y254 HydrophobicContact CG2-CE2 3.98Å; I250-Y254 WeakPolarHBondContact O-CD2 3.39Å; I250-Y254 PolarHBondContact O-N 3.5Å; N251-Y254 PolarHBondContact O-N 2.59Å; R252-Y254 VanDerWaalsContact C-N 3.3Å; R252-Y254 PolarHBondContact O-N 3.32Å; Y254-F256 VanDerWaalsContact C-N 3.34Å; Y254-F256 PolarHBondContact O-N 2.9Å; Y254-A257 PolarHBondContact O-N 3.16Å; Y254-G258 PolarHBondContact O-N 3.01Å; Y254-V271 HydrophobicContact CD1-CG2 4.21Å; Y254-V271 HydrophobicContact CD2-CG2 4.23Å; Y254-V271 HydrophobicContact CE1-CG2 3.91Å; Y254-V271 HydrophobicContact CE2-CG2 3.95Å; Y254-V271 HydrophobicContact CG-CG2 4.36Å
255Q83.3Confident76.7Confident80 Ų8091 Ų9137%0.37443%0.434SS..Hα-helixtrans-61.8-42.7173.6-71.7175.913.100111.5N251 R252 G258 R259 L268N251-Q255 VanDerWaalsContact O-CG 3.3Å; N251-Q255 WeakPolarHBondContact O-CG 3.42Å; N251-Q255 PolarHBondContact O-N 2.88Å; R252-Q255 PolarHBondContact O-N 2.89Å; Q255-G258 PolarHBondContact O-N 3.45Å; Q255-R259 VanDerWaalsContact O-CG 3.28Å; Q255-R259 WeakPolarHBondContact O-CG 3.48Å; Q255-R259 PolarHBondContact O-N 2.87Å; Q255-L268 HydrophobicContact CG-CD1 3.68Å; Q255-L268 HydrophobicContact CG-CD2 4.48Å
256F80.4Confident74.7Confident133 Ų13394.8 Ų94.858%0.58345%0.449SS*.Hα-helixtrans-66.1-44.8175.6-79.7-70.7000112R252 A253 Y254 G258 R259R252-F256 WeakPolarHBondContact O-CD2 3.43Å; R252-F256 PolarHBondContact O-N 3.39Å; A253-F256 PolarHBondContact O-N 2.91Å; Y254-F256 VanDerWaalsContact C-N 3.34Å; Y254-F256 PolarHBondContact O-N 2.9Å; F256-G258 VanDerWaalsContact C-N 3.31Å; F256-G258 PolarHBondContact O-N 2.92Å; F256-R259 PolarHBondContact O-N 3.25Å
257A78.2Confident73Confident58 Ų5896.8 Ų96.848%0.47946%0.463SS..Hα-helixtrans-62.7-39.2176.200000112.1A253 Y254 C260A253-A257 WeakPolarHBondContact O-CB 3.34Å; A253-A257 PolarHBondContact O-N 3.01Å; Y254-A257 PolarHBondContact O-N 3.16Å; A257-C260 WeakPolarHBondContact O-CB 3.38Å; A257-C260 PolarHBondContact O-N 3.12Å; A257-C260 VanDerWaalsContact O-N 3.15Å
258G65.6Low71.5Confident21 Ų2198.1 Ų98.122%0.21647%0.469CS..Hα-helixtrans-73.4-26.5179.500000114.6Y254 Q255 F256 C260 K261 T264Y254-G258 PolarHBondContact O-N 3.01Å; Q255-G258 PolarHBondContact O-N 3.45Å; F256-G258 VanDerWaalsContact C-N 3.31Å; F256-G258 PolarHBondContact O-N 2.92Å; G258-C260 PolarHBondContact O-N 2.89Å; G258-K261 CarbonylContact O-C 3.58Å; G258-K261 PolarHBondContact O-N 3.37Å; G258-T264 WeakPolarHBondContact CA-OG1 3.42Å
259R61.6Low70.2Confident191 Ų191100.4 Ų100.472%0.72148%0.475SS*.Hα-helixtrans-65.7-23.4168.2-74172.2-171.6-164.33.7112.4Q255 F256Q255-R259 VanDerWaalsContact O-CG 3.28Å; Q255-R259 WeakPolarHBondContact O-CG 3.48Å; Q255-R259 PolarHBondContact O-N 2.87Å; F256-R259 PolarHBondContact O-N 3.25Å
260C55.9Low68.8Low110 Ų110100.5 Ų100.574%0.74349%0.485SS*.THydrogen-bonded Turntrans-83.3-11.8175-70.50000114.1A257 G258A257-C260 WeakPolarHBondContact O-CB 3.38Å; A257-C260 PolarHBondContact O-N 3.12Å; A257-C260 VanDerWaalsContact O-N 3.15Å; G258-C260 PolarHBondContact O-N 2.89Å
261K54.2Low67.5Low157 Ų157101 Ų10168%0.68349%0.488SS*.  trans-145.2124.8-178.8-66-172.3179.2-175.90112.5G258 E263 T264G258-K261 CarbonylContact O-C 3.58Å; G258-K261 PolarHBondContact O-N 3.37Å; K261-E263 PolarHBondContact O-N 2.96Å; K261-T264 PolarHBondContact O-OG1 3.12Å
262K54.5Low66.4Low225 Ų225102.9 Ų102.998%0.97850%0.496SS*.THydrogen-bonded Turntrans-62.1-12.9-174.9-74.3-178.3177.3177.80115.6
263E53.2Low65.6Low178 Ų17899.8 Ų99.883%0.83249%0.49SS*.THydrogen-bonded Turntrans-93.82.1-173.7-69.2176.4161.400115.3K261 K265K261-E263 PolarHBondContact O-N 2.96Å; E263-K265 PolarHBondContact O-N 3.03Å
264T55.2Low64.7Low30 Ų30101.3 Ų101.318%0.18449%0.491CS..THydrogen-bonded Turntrans-9111-160-32.70000115.1G258 K261 S267 L268G258-T264 WeakPolarHBondContact CA-OG1 3.42Å; K261-T264 PolarHBondContact O-OG1 3.12Å; T264-S267 WeakPolarHBondContact CG2-OG 2.91Å; T264-S267 PolarHBondContact O-OG 3.49Å; T264-L268 PolarHBondContact O-N 2.91Å
265K54.7Low63.8Low184 Ų18498.2 Ų98.280%0.848%0.479SS*.Hα-helixtrans-70.5-33.4-176.8-131.8179.3-176.5-177.20112.6E263E263-K265 PolarHBondContact O-N 3.03Å
266Y54.9Low63.1Low204 Ų204100.1 Ų100.180%0.849%0.488SS*.Hα-helixtrans-73.6-35.6179.4-66.5-76.4000113L268 K269 A270Y266-L268 VanDerWaalsContact C-N 3.34Å; Y266-K269 PolarHBondContact O-N 3.41Å; Y266-A270 PolarHBondContact O-N 3.43Å; Y266-A270 VanDerWaalsContact O-N 3.08Å
267S59.7Low62.4Low42 Ų4299.3 Ų99.329%0.29449%0.494SS..Hα-helixtrans-70.2-30.4177.348.80000112.9T264 V271T264-S267 WeakPolarHBondContact CG2-OG 2.91Å; T264-S267 PolarHBondContact O-OG 3.49Å; S267-V271 VanDerWaalsContact O-CG2 3.28Å; S267-V271 WeakPolarHBondContact O-CG2 3.25Å; S267-V271 PolarHBondContact O-N 3.07Å
268L61.5Low61.4Low40 Ų4099.4 Ų99.421%0.20949%0.486CS..Hα-helixtrans-65.2-48.7175.5-15989.8000110.6Q255 T264 Y266 A270 V271 E272Q255-L268 HydrophobicContact CG-CD1 3.68Å; Q255-L268 HydrophobicContact CG-CD2 4.48Å; T264-L268 PolarHBondContact O-N 2.91Å; Y266-L268 VanDerWaalsContact C-N 3.34Å; L268-A270 PolarHBondContact O-N 3.37Å; L268-V271 PolarHBondContact O-N 3.2Å; L268-E272 WeakPolarHBondContact CD2-OE1 3.37Å; L268-E272 WeakPolarHBondContact O-CG 3.45Å; L268-E272 PolarHBondContact O-N 3.33Å
269K65.7Low60.7Low128 Ų128104.2 Ų104.256%0.55750%0.503SS*.Hα-helixtrans-62.2-42.5178.4-172.3177.2178.7-177.70112.2Y266 V271 E272 D273Y266-K269 PolarHBondContact O-N 3.41Å; K269-V271 VanDerWaalsContact C-N 3.28Å; K269-V271 PolarHBondContact O-N 2.77Å; K269-E272 PolarHBondContact O-N 3.3Å; K269-D273 WeakPolarHBondContact O-CB 3.39Å; K269-D273 PolarHBondContact O-N 2.97Å
270A62.7Low60.2Low57 Ų5798.5 Ų98.547%0.47149%0.486SS..Hα-helixtrans-62.2-35177.400000113Y266 L268 M274Y266-A270 PolarHBondContact O-N 3.43Å; Y266-A270 VanDerWaalsContact O-N 3.08Å; L268-A270 PolarHBondContact O-N 3.37Å; A270-M274 VanDerWaalsContact O-CB 3.23Å; A270-M274 WeakPolarHBondContact O-CB 3.49Å; A270-M274 PolarHBondContact O-N 3.45Å
271V64.2Low59.3Low10 Ų1099.4 Ų99.46%0.06149%0.488CS..Hα-helixtrans-72.4-42.1174.6172.50000110.7I250 Y254 S267 L268 K269 M274 L275I250-V271 HydrophobicContact CG2-CG1 3.68Å; Y254-V271 HydrophobicContact CD1-CG2 4.21Å; Y254-V271 HydrophobicContact CD2-CG2 4.23Å; Y254-V271 HydrophobicContact CE1-CG2 3.91Å; Y254-V271 HydrophobicContact CE2-CG2 3.95Å; Y254-V271 HydrophobicContact CG-CG2 4.36Å; S267-V271 VanDerWaalsContact O-CG2 3.28Å; S267-V271 WeakPolarHBondContact O-CG2 3.25Å; S267-V271 PolarHBondContact O-N 3.07Å; L268-V271 PolarHBondContact O-N 3.2Å; K269-V271 VanDerWaalsContact C-N 3.28Å; K269-V271 PolarHBondContact O-N 2.77Å; V271-M274 HydrophobicContact CG1-CE 4.38Å; V271-M274 PolarHBondContact O-N 3Å; V271-L275 HydrophobicContact CG1-CD1 3.87Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 WeakPolarHBondContact O-CG 3.47Å; V271-L275 PolarHBondContact O-N 3.21Å
272E67.1Low58.4Low69 Ų69100 Ų10032%0.32249%0.493SS..Hα-helixtrans-58.8-50173.9-71.7168.4171.900111L268 K269 M274 L275 E276L268-E272 WeakPolarHBondContact CD2-OE1 3.37Å; L268-E272 WeakPolarHBondContact O-CG 3.45Å; L268-E272 PolarHBondContact O-N 3.33Å; K269-E272 PolarHBondContact O-N 3.3Å; E272-M274 PolarHBondContact O-N 3.17Å; E272-L275 CarbonylContact O-C 3.47Å; E272-L275 PolarHBondContact O-N 3.34Å; E272-L275 VanDerWaalsContact O-N 3.12Å; E272-E276 WeakPolarHBondContact O-CB 3.42Å; E272-E276 WeakPolarHBondContact O-CG 3.4Å; E272-E276 PolarHBondContact O-N 2.97Å
273D70.4Confident57.3Low72 Ų7297.9 Ų97.939%0.38551%0.507SS..Hα-helixtrans-61.1-40.7177.3-64.5-16000111.7K269 E276 T277K269-D273 WeakPolarHBondContact O-CB 3.39Å; K269-D273 PolarHBondContact O-N 2.97Å; D273-E276 PolarHBondContact O-N 3.27Å; D273-T277 WeakPolarHBondContact O-CB 3.47Å; D273-T277 WeakPolarHBondContact O-CG2 3.16Å; D273-T277 PolarHBondContact O-N 3.47Å; D273-T277 PolarHBondContact O-OG1 2.99Å
274M69.9Low57.5Low70 Ų7093.9 Ų93.935%0.34549%0.491SS..Hα-helixtrans-64.3-42.9173.9178.8-173.262.100111.5F216 A270 V271 E272 E276 T277 L278F216-M274 HydrophobicContact CE1-CE 3.81Å; A270-M274 VanDerWaalsContact O-CB 3.23Å; A270-M274 WeakPolarHBondContact O-CB 3.49Å; A270-M274 PolarHBondContact O-N 3.45Å; V271-M274 HydrophobicContact CG1-CE 4.38Å; V271-M274 PolarHBondContact O-N 3Å; E272-M274 PolarHBondContact O-N 3.17Å; M274-E276 VanDerWaalsContact C-N 3.31Å; M274-E276 PolarHBondContact O-N 3.42Å; M274-T277 WeakPolarHBondContact CA-OG1 3.47Å; M274-T277 PolarHBondContact O-OG1 3.45Å; M274-L278 HydrophobicContact CG-CD1 3.9Å; M274-L278 WeakPolarHBondContact O-CB 3.46Å; M274-L278 WeakPolarHBondContact O-CD1 2.9Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.37Å; M274-L278 VanDerWaalsContact O-N 3.11Å
275L67.4Low57.7Low4 Ų497.3 Ų97.32%0.02151%0.507CS..Hα-helixtrans-68-32.6177.9-69.7171.7000111.6Y219 A247 I250 N251 V271 E272 Q279Y219-L275 HydrophobicContact CD1-CD2 4.03Å; Y219-L275 HydrophobicContact CD2-CD2 4.03Å; Y219-L275 HydrophobicContact CE1-CD2 3.52Å; Y219-L275 HydrophobicContact CE2-CD2 3.54Å; Y219-L275 HydrophobicContact CG-CD2 4.25Å; Y219-L275 WeakPolarHBondContact OH-CA 3.37Å; Y219-L275 PolarHBondContact OH-O 3.23Å; A247-L275 HydrophobicContact CB-CD1 4.03Å; A247-L275 HydrophobicContact CB-CD2 3.84Å; A247-L275 HydrophobicContact CB-CG 4.47Å; I250-L275 HydrophobicContact CD1-CD2 4.38Å; N251-L275 VanDerWaalsContact OD1-CD1 3.23Å; N251-L275 WeakPolarHBondContact OD1-CD1 3.31Å; V271-L275 HydrophobicContact CG1-CD1 3.87Å; V271-L275 HydrophobicContact CG1-CG 4.26Å; V271-L275 WeakPolarHBondContact O-CB 3.38Å; V271-L275 WeakPolarHBondContact O-CG 3.47Å; V271-L275 PolarHBondContact O-N 3.21Å; E272-L275 CarbonylContact O-C 3.47Å; E272-L275 PolarHBondContact O-N 3.34Å; E272-L275 VanDerWaalsContact O-N 3.12Å; L275-Q279 VanDerWaalsContact O-CG 3.24Å; L275-Q279 WeakPolarHBondContact O-CG 3.48Å; L275-Q279 PolarHBondContact O-N 3.03Å
276E67.6Low57.8Low119 Ų11992.4 Ų92.456%0.55649%0.491SS*.Hα-helixtrans-73.4-42.3175.4-76.3-179.8-174.500112.4E272 D273 M274 L278 Q279E272-E276 WeakPolarHBondContact O-CB 3.42Å; E272-E276 WeakPolarHBondContact O-CG 3.4Å; E272-E276 PolarHBondContact O-N 2.97Å; D273-E276 PolarHBondContact O-N 3.27Å; M274-E276 VanDerWaalsContact C-N 3.31Å; M274-E276 PolarHBondContact O-N 3.42Å; E276-L278 PolarHBondContact O-N 3.41Å; E276-Q279 WeakPolarHBondContact O-CB 3.31Å; E276-Q279 PolarHBondContact O-N 2.95Å; E276-Q279 VanDerWaalsContact O-N 3.1Å
277T65.3Low58Low116 Ų11685.9 Ų85.971%0.71247%0.473SS*.Hα-helixtrans-66-27.7175.446.80000112.7D273 M274D273-T277 WeakPolarHBondContact O-CB 3.47Å; D273-T277 WeakPolarHBondContact O-CG2 3.16Å; D273-T277 PolarHBondContact O-N 3.47Å; D273-T277 PolarHBondContact O-OG1 2.99Å; M274-T277 WeakPolarHBondContact CA-OG1 3.47Å; M274-T277 PolarHBondContact O-OG1 3.45Å
278L57.3Low57.9Low60 Ų6088.6 Ų88.631%0.31448%0.484SS..THydrogen-bonded Turntrans-92-6.2174.2-67171.4000113.1Y219 M220 M274 E276 I280Y219-L278 HydrophobicContact CE1-CB 4.25Å; Y219-L278 HydrophobicContact CE1-CD1 3.74Å; Y219-L278 WeakPolarHBondContact OH-CB 3.33Å; M220-L278 HydrophobicContact CE-CD1 4.25Å; M220-L278 HydrophobicContact SD-CD1 3.77Å; M274-L278 HydrophobicContact CG-CD1 3.9Å; M274-L278 WeakPolarHBondContact O-CB 3.46Å; M274-L278 WeakPolarHBondContact O-CD1 2.9Å; M274-L278 VanDerWaalsContact O-CG 3.26Å; M274-L278 WeakPolarHBondContact O-CG 3.27Å; M274-L278 PolarHBondContact O-N 3.37Å; M274-L278 VanDerWaalsContact O-N 3.11Å; E276-L278 PolarHBondContact O-N 3.41Å; L278-I280 PolarHBondContact O-N 2.9Å
279Q52Low57.6Low122 Ų12291.9 Ų91.957%0.5750%0.502SS*.SBendtrans-69.8121.1168.4-88.4167.543.700108.8L275 E276 T281L275-Q279 VanDerWaalsContact O-CG 3.24Å; L275-Q279 WeakPolarHBondContact O-CG 3.48Å; L275-Q279 PolarHBondContact O-N 3.03Å; E276-Q279 WeakPolarHBondContact O-CB 3.31Å; E276-Q279 PolarHBondContact O-N 2.95Å; E276-Q279 VanDerWaalsContact O-N 3.1Å; Q279-T281 PolarHBondContact O-N 3.25Å
280I51.4Low57.1Low72 Ų7289.3 Ų89.337%0.36950%0.498SS..  trans-65.2104.7166.8-55.2161.3000106A226 S227 M240 L278 Q282A226-I280 HydrophobicContact CB-CD1 3.72Å; S227-I280 VanDerWaalsContact CB-CD1 3.5Å; S227-I280 VanDerWaalsContact N-CD1 3.31Å; M240-I280 HydrophobicContact CE-CD1 4.46Å; L278-I280 PolarHBondContact O-N 2.9Å; I280-Q282 PolarHBondContact O-N 3.01Å
281T36.4Very low56.6Low129 Ų12991.8 Ų91.879%0.79150%0.5SS*.  trans-49.7113.8166.4270000108.1Q279 S283Q279-T281 PolarHBondContact O-N 3.25Å; T281-S283 VanDerWaalsContact C-N 3.32Å; T281-S283 PolarHBondContact O-N 3.21Å
282Q35.5Very low56Low168 Ų16898.6 Ų98.679%0.78554%0.537SS*.  trans-68.196.6165.3-72.4-177.6-5.800106.6I280I280-Q282 PolarHBondContact O-N 3.01Å
283S31.8Very low55Low182 Ų182101.3 Ų101.3100%1.27356%0.556SS**  trans-81.50155.560.30000109.1T281T281-S283 VanDerWaalsContact C-N 3.32Å; T281-S283 PolarHBondContact O-N 3.21Å

Retrieved 283 of 283 residues in 2151.4 ms (Link to these results)

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