A0A087YMW0_POEFO 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 A0A087YMW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 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
1M42.8Very low59.1Low242 Ų24297.2 Ų97.2100%1.19253%0.525SS*.  0133.80-76.8-174.9-105.900105.9
2A46Very low61.7Low63 Ų6393.8 Ų93.852%0.52150%0.499SS..  trans-62.2141.5173.700000108.8E6A2-E6 WeakPolarHBondContact CA-OE2 3.36Å; A2-E6 HydrophobicContact CB-CB 4.3Å
3S58.7Low64.1Low33 Ų3394.9 Ų94.923%0.23150%0.499CS..  trans-65.7156.3175.765.50000110.2S5 E6 M7S3-S5 PolarHBondContact O-N 2.74Å; S3-S5 PolarHBondContact OG-OG 3.24Å; S3-E6 PolarHBondContact N-OE2 3.18Å; S3-E6 PolarHBondContact O-N 3.09Å; S3-E6 WeakPolarHBondContact OG-CB 3.24Å; S3-E6 WeakPolarHBondContact OG-CG 3.33Å; S3-E6 PolarHBondContact OG-N 2.82Å; S3-M7 PolarHBondContact O-N 3.38Å
4L59.2Low66.1Low41 Ų4196.5 Ų96.522%0.21550%0.503CS..Hα-helixtrans-61.2-30.1172.6-64.7157.6000110.4M7 Y8 D35 E39L4-M7 HydrophobicContact CD2-CE 4.47Å; L4-M7 PolarHBondContact O-N 2.92Å; L4-Y8 HydrophobicContact CB-CD2 4.29Å; L4-Y8 HydrophobicContact CD2-CD2 3.92Å; L4-Y8 HydrophobicContact CD2-CE2 3.65Å; L4-Y8 WeakPolarHBondContact O-CB 3.15Å; L4-Y8 PolarHBondContact O-N 3.17Å; L4-D35 HydrophobicContact CD1-CB 3.91Å; L4-D35 WeakPolarHBondContact CD1-O 3.44Å; L4-E39 WeakPolarHBondContact CA-OE2 3.38Å; L4-E39 WeakPolarHBondContact CB-OE2 3.48Å; L4-E39 WeakPolarHBondContact CD1-OE2 3.45Å; L4-E39 WeakPolarHBondContact CG-OE2 3.49Å; L4-E39 PolarHBondContact N-OE1 2.68Å; L4-E39 PolarHBondContact N-OE2 2.66Å
5S56.6Low67.9Low43 Ų4390.5 Ų90.530%0.30147%0.472SS..Hα-helixtrans-62.8-38.9171.676.20000113.1S3 D9 E39S3-S5 PolarHBondContact O-N 2.74Å; S3-S5 PolarHBondContact OG-OG 3.24Å; S5-D9 WeakPolarHBondContact O-CA 3.29Å; S5-D9 PolarHBondContact O-N 3.09Å; S5-E39 WeakPolarHBondContact CB-OE1 3.3Å; S5-E39 PolarHBondContact N-OE1 3.46Å
6E54Low69.6Low150 Ų15088.1 Ų88.170%0.70145%0.454SS*.Hα-helixtrans-72.3-30.1174.1-75.9176.3168.800112.2A2 S3A2-E6 WeakPolarHBondContact CA-OE2 3.36Å; A2-E6 HydrophobicContact CB-CB 4.3Å; S3-E6 PolarHBondContact N-OE2 3.18Å; S3-E6 PolarHBondContact O-N 3.09Å; S3-E6 WeakPolarHBondContact OG-CB 3.24Å; S3-E6 WeakPolarHBondContact OG-CG 3.33Å; S3-E6 PolarHBondContact OG-N 2.82Å
7M55Low71.1Confident111 Ų11187.1 Ų87.155%0.54745%0.45SS..Hα-helixtrans-86-24.5-175.9-145.2170.671.500113.3S3 L4S3-M7 PolarHBondContact O-N 3.38Å; L4-M7 HydrophobicContact CD2-CE 4.47Å; L4-M7 PolarHBondContact O-N 2.92Å
8Y57.4Low72.3Confident150 Ų15087.8 Ų87.859%0.58845%0.449SS*.Hα-helixtrans-127.8-2.6-173.7-65-70.9000115.7L4 V10L4-Y8 HydrophobicContact CB-CD2 4.29Å; L4-Y8 HydrophobicContact CD2-CD2 3.92Å; L4-Y8 HydrophobicContact CD2-CE2 3.65Å; L4-Y8 WeakPolarHBondContact O-CB 3.15Å; L4-Y8 PolarHBondContact O-N 3.17Å; Y8-V10 VanDerWaalsContact C-N 3.26Å; Y8-V10 WeakPolarHBondContact O-CG2 3.41Å; Y8-V10 PolarHBondContact O-N 3.21Å
9D60.9Low73.5Confident156 Ų15683.2 Ų83.283%0.83443%0.425SS*.  trans53.841.7-178-162.126000112.6S5S5-D9 WeakPolarHBondContact O-CA 3.29Å; S5-D9 PolarHBondContact O-N 3.09Å
10V72.3Confident74.6Confident43 Ų4383.9 Ų83.926%0.26142%0.422SS..  trans-106.4125.8-177.1179.60000109.1Y8 E14 M15Y8-V10 VanDerWaalsContact C-N 3.26Å; Y8-V10 WeakPolarHBondContact O-CG2 3.41Å; Y8-V10 PolarHBondContact O-N 3.21Å; V10-E14 WeakPolarHBondContact CA-OE2 3.41Å; V10-E14 HydrophobicContact CG1-CB 3.61Å; V10-E14 WeakPolarHBondContact CG1-OE2 3.33Å; V10-M15 HydrophobicContact CB-CE 4.4Å; V10-M15 HydrophobicContact CG1-CE 4.46Å; V10-M15 HydrophobicContact CG1-CG 3.87Å
11G87.1Confident75.5Confident37 Ų3785.9 Ų85.938%0.38143%0.428SS..  trans-73.5154.9176.200000112.8E13 E14 M15G11-E13 PolarHBondContact O-N 3.25Å; G11-E13 VanDerWaalsContact O-N 3.14Å; G11-E14 PolarHBondContact N-OE2 3.32Å; G11-E14 WeakPolarHBondContact O-CB 3.29Å; G11-E14 PolarHBondContact O-N 2.85Å; G11-M15 PolarHBondContact O-N 2.92Å; G11-M15 VanDerWaalsContact O-N 3.12Å
12W90.6Very high77.9Confident57 Ų5775.9 Ų75.922%0.21638%0.377CS..Hα-helixtrans-58-28.7177.672.8-86.9000113.4R16 L40 H44 K47 L48W12-R16 WeakPolarHBondContact O-CB 3.39Å; W12-R16 PolarHBondContact O-N 3.16Å; W12-L40 HydrophobicContact CB-CD2 4.12Å; W12-H44 HydrophobicContact CB-CB 4.23Å; W12-H44 WeakPolarHBondContact CB-CD2 3.46Å; W12-K47 HydrophobicContact CD2-CB 4.3Å; W12-K47 HydrophobicContact CD2-CD 4.12Å; W12-K47 HydrophobicContact CE3-CB 4.17Å; W12-K47 HydrophobicContact CG-CD 4.32Å; W12-K47 HydrophobicContact CH2-CB 4.04Å; W12-K47 HydrophobicContact CZ2-CB 4.19Å; W12-K47 HydrophobicContact CZ2-CD 4.34Å; W12-K47 HydrophobicContact CZ3-CB 4.03Å; W12-L48 HydrophobicContact CE3-CD2 4.14Å; W12-L48 HydrophobicContact CZ3-CD2 4.14Å
13E93.1Very high80.2Confident108 Ų10876.7 Ų76.751%0.50537%0.367SS..Hα-helixtrans-66.2-42.5174.6-63.6-175.2156.400111.6G11 R16 D17G11-E13 PolarHBondContact O-N 3.25Å; G11-E13 VanDerWaalsContact O-N 3.14Å; E13-R16 PolarHBondContact O-N 3.07Å; E13-D17 WeakPolarHBondContact O-CB 3.49Å; E13-D17 PolarHBondContact O-N 3.17Å
14E92.4Very high81.8Confident117 Ų11781.9 Ų81.955%0.54739%0.388SS..Hα-helixtrans-67-39177.5-63.9-177156.100111.2V10 G11 D17 K18V10-E14 WeakPolarHBondContact CA-OE2 3.41Å; V10-E14 HydrophobicContact CG1-CB 3.61Å; V10-E14 WeakPolarHBondContact CG1-OE2 3.33Å; G11-E14 PolarHBondContact N-OE2 3.32Å; G11-E14 WeakPolarHBondContact O-CB 3.29Å; G11-E14 PolarHBondContact O-N 2.85Å; E14-D17 PolarHBondContact O-N 2.92Å; E14-K18 VanDerWaalsContact O-CB 3.27Å; E14-K18 WeakPolarHBondContact O-CB 3.45Å; E14-K18 PolarHBondContact O-N 3.29Å
15M93.1Very high83.2Confident7 Ų784.3 Ų84.33%0.03440%0.401CS..Hα-helixtrans-60-47.5173-67.3-175-170.700111.6V10 G11 D17 K18 L19 V36 E39 L40V10-M15 HydrophobicContact CB-CE 4.4Å; V10-M15 HydrophobicContact CG1-CE 4.46Å; V10-M15 HydrophobicContact CG1-CG 3.87Å; G11-M15 PolarHBondContact O-N 2.92Å; G11-M15 VanDerWaalsContact O-N 3.12Å; M15-D17 PolarHBondContact O-N 3.29Å; M15-K18 WeakPolarHBondContact O-CB 3.27Å; M15-K18 PolarHBondContact O-N 3.44Å; M15-L19 PolarHBondContact O-N 3.31Å; M15-V36 HydrophobicContact CB-CG1 3.58Å; M15-V36 HydrophobicContact CG-CG1 3.91Å; M15-V36 HydrophobicContact SD-CG1 4.41Å; M15-E39 HydrophobicContact SD-CG 4.47Å; M15-L40 HydrophobicContact CB-CD1 3.71Å; M15-L40 HydrophobicContact CB-CD2 3.89Å; M15-L40 HydrophobicContact CB-CG 3.79Å; M15-L40 HydrophobicContact SD-CD2 4.33Å; M15-L40 HydrophobicContact SD-CG 4.21Å
16R95.1Very high84.5Confident52 Ų5289.5 Ų89.520%0.19643%0.425CS..Hα-helixtrans-60.2-47.1177.7179.2-159.567-153.1-8.1110.9W12 E13 K18 L19 R20 L48 I55W12-R16 WeakPolarHBondContact O-CB 3.39Å; W12-R16 PolarHBondContact O-N 3.16Å; E13-R16 PolarHBondContact O-N 3.07Å; R16-K18 VanDerWaalsContact C-N 3.29Å; R16-K18 PolarHBondContact O-N 2.72Å; R16-L19 PolarHBondContact O-N 3.45Å; R16-R20 PolarHBondContact O-N 3.32Å; R16-L48 HydrophobicContact CB-CD2 4.08Å; R16-L48 HydrophobicContact CG-CD2 3.95Å; R16-I55 HydrophobicContact CG-CD1 4.42Å
17D94.3Very high85.9Confident71 Ų7184.1 Ų84.138%0.3840%0.403SS..Hα-helixtrans-68-32.2-177.5-67.7-8.5000111.4E13 E14 M15 R20 K21E13-D17 WeakPolarHBondContact O-CB 3.49Å; E13-D17 PolarHBondContact O-N 3.17Å; E14-D17 PolarHBondContact O-N 2.92Å; M15-D17 PolarHBondContact O-N 3.29Å; D17-R20 PolarHBondContact O-N 2.69Å; D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 PolarHBondContact O-N 3.18Å
18K93.2Very high87.2Confident100 Ų10088 Ų8844%0.43541%0.412SS..Hα-helixtrans-65-46.5172.1-164.6-177.4-165.4-1690112.1E14 M15 R16 R20 K21 W22E14-K18 VanDerWaalsContact O-CB 3.27Å; E14-K18 WeakPolarHBondContact O-CB 3.45Å; E14-K18 PolarHBondContact O-N 3.29Å; M15-K18 WeakPolarHBondContact O-CB 3.27Å; M15-K18 PolarHBondContact O-N 3.44Å; R16-K18 VanDerWaalsContact C-N 3.29Å; R16-K18 PolarHBondContact O-N 2.72Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 2.92Å; K18-K21 PolarHBondContact O-N 3.39Å; K18-W22 HydrophobicContact CD-CH2 3.57Å; K18-W22 HydrophobicContact CD-CZ2 3.81Å; K18-W22 HydrophobicContact CD-CZ3 4.11Å; K18-W22 HydrophobicContact CG-CD2 4.23Å; K18-W22 HydrophobicContact CG-CE3 4.25Å; K18-W22 HydrophobicContact CG-CH2 3.81Å; K18-W22 HydrophobicContact CG-CZ2 3.8Å; K18-W22 HydrophobicContact CG-CZ3 4.04Å; K18-W22 PolarHBondContact O-N 3.32Å
19L94.8Very high88.8Confident0 Ų082.8 Ų82.80%039%0.394CS..Hα-helixtrans-61-42.1174.5-72-171.1000111.7M15 R16 W22 R23 I33 V36 L40 I55 Q58M15-L19 PolarHBondContact O-N 3.31Å; R16-L19 PolarHBondContact O-N 3.45Å; L19-W22 HydrophobicContact CD2-CE3 3.75Å; L19-W22 HydrophobicContact CD2-CZ3 3.82Å; L19-W22 PolarHBondContact O-N 3.18Å; L19-R23 PolarHBondContact O-N 3.2Å; L19-R23 VanDerWaalsContact O-N 3.08Å; L19-I33 HydrophobicContact CD2-CB 4.39Å; L19-I33 HydrophobicContact CD2-CG1 4.27Å; L19-I33 HydrophobicContact CD2-CG2 4.2Å; L19-V36 HydrophobicContact CD2-CB 4.36Å; L19-V36 HydrophobicContact CD2-CG1 4.28Å; L19-V36 HydrophobicContact CG-CG1 4.14Å; L19-L40 HydrophobicContact CD1-CD1 3.61Å; L19-L40 HydrophobicContact CG-CD1 4.3Å; L19-I55 HydrophobicContact CD1-CD1 4.46Å; L19-I55 HydrophobicContact CD1-CG1 4.06Å; L19-I55 HydrophobicContact CD1-CG2 3.82Å; L19-Q58 PolarHBondContact O-NE2 2.99Å; L19-Q58 PolarHBondContact O-OE1 3.32Å
20R95.1Very high90.4Very high97 Ų9776.2 Ų76.237%0.36636%0.36SS..Hα-helixtrans-59.2-49.5174.7-176.1-177.4-63.11690.3111.2R16 D17 K18 W22 R23 E24 D51R16-R20 PolarHBondContact O-N 3.32Å; D17-R20 PolarHBondContact O-N 2.69Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-R20 PolarHBondContact O-N 2.92Å; R20-W22 PolarHBondContact O-N 2.89Å; R20-R23 WeakPolarHBondContact O-CA 3.34Å; R20-R23 VanDerWaalsContact O-CB 3.28Å; R20-R23 WeakPolarHBondContact O-CB 3.5Å; R20-R23 PolarHBondContact O-N 2.94Å; R20-E24 HydrophobicContact CG-CG 4.45Å; R20-E24 WeakPolarHBondContact CG-OE1 3.33Å; R20-E24 WeakPolarHBondContact O-CG 3.05Å; R20-E24 PolarHBondContact O-N 3.03Å; R20-D51 IonicContact CZ-OD2 2.95Å; R20-D51 IonicContact NH2-OD2 2.75Å; R20-D51 PolarHBondContact NH2-OD2 3.49Å
21K93.7Very high91.5Very high125 Ų12580.3 Ų80.354%0.54338%0.377SS..Hα-helixtrans-58.4-47178.6-177.1173.6-178.9178.80112.1D17 K18 R23 E24 D25D17-K21 WeakPolarHBondContact O-CB 3.41Å; D17-K21 PolarHBondContact O-N 3.18Å; K18-K21 PolarHBondContact O-N 3.39Å; K21-R23 PolarHBondContact O-N 3.38Å; K21-E24 PolarHBondContact O-N 2.98Å; K21-D25 VanDerWaalsContact CE-OD2 3.23Å; K21-D25 WeakPolarHBondContact CE-OD2 3.14Å; K21-D25 VanDerWaalsContact CG-OD2 3.3Å; K21-D25 WeakPolarHBondContact CG-OD2 3.49Å; K21-D25 WeakPolarHBondContact O-CB 3.3Å; K21-D25 PolarHBondContact O-N 2.97Å
22W93.8Very high91.9Very high32 Ų3282.1 Ų82.112%0.12138%0.375CS..Hα-helixtrans-61.6-31.2176.6-70.5-33.3000113.4K18 L19 R20 N26 C27 N29 Q32 I33 V36K18-W22 HydrophobicContact CD-CH2 3.57Å; K18-W22 HydrophobicContact CD-CZ2 3.81Å; K18-W22 HydrophobicContact CD-CZ3 4.11Å; K18-W22 HydrophobicContact CG-CD2 4.23Å; K18-W22 HydrophobicContact CG-CE3 4.25Å; K18-W22 HydrophobicContact CG-CH2 3.81Å; K18-W22 HydrophobicContact CG-CZ2 3.8Å; K18-W22 HydrophobicContact CG-CZ3 4.04Å; K18-W22 PolarHBondContact O-N 3.32Å; L19-W22 HydrophobicContact CD2-CE3 3.75Å; L19-W22 HydrophobicContact CD2-CZ3 3.82Å; L19-W22 PolarHBondContact O-N 3.18Å; R20-W22 PolarHBondContact O-N 2.89Å; W22-N26 PolarHBondContact O-N 3.37Å; W22-C27 HydrophobicContact CB-CB 4.27Å; W22-C27 HydrophobicContact CG-CB 4.38Å; W22-C27 PolarHBondContact O-N 3.23Å; W22-N29 VanDerWaalsContact CD1-ND2 3.33Å; W22-N29 HydrophobicContact CD2-CB 4.45Å; W22-N29 PolarHBondContact NE1-ND2 3.27Å; W22-Q32 HydrophobicContact CH2-CB 3.45Å; W22-Q32 VanDerWaalsContact CH2-CB 3.45Å; W22-Q32 HydrophobicContact CZ2-CB 4.01Å; W22-Q32 HydrophobicContact CZ3-CB 4.14Å; W22-I33 HydrophobicContact CD2-CG1 4.3Å; W22-I33 HydrophobicContact CE3-CD1 4.49Å; W22-I33 HydrophobicContact CE3-CG1 3.53Å; W22-I33 HydrophobicContact CZ3-CG1 3.95Å; W22-V36 HydrophobicContact CH2-CG2 4.44Å; W22-V36 HydrophobicContact CZ3-CG2 4.46Å
23R93.1Very high92.1Very high81 Ų8179.9 Ų79.931%0.30637%0.367SS..Hα-helixtrans-71.2-43.5175.3-161.8-159.9-45.2-78.9-2.5111.9L19 R20 K21 N26 I54L19-R23 PolarHBondContact O-N 3.2Å; L19-R23 VanDerWaalsContact O-N 3.08Å; R20-R23 WeakPolarHBondContact O-CA 3.34Å; R20-R23 VanDerWaalsContact O-CB 3.28Å; R20-R23 WeakPolarHBondContact O-CB 3.5Å; R20-R23 PolarHBondContact O-N 2.94Å; K21-R23 PolarHBondContact O-N 3.38Å; R23-N26 PolarHBondContact O-N 3.15Å; R23-I54 PolarHBondContact NH1-O 3.3Å
24E92.3Very high92.3Very high142 Ų14274.9 Ų74.966%0.66434%0.344SS*.Hα-helixtrans-68.2-40.1178.8-71.4173.2179.100111.8R20 K21 N26R20-E24 HydrophobicContact CG-CG 4.45Å; R20-E24 WeakPolarHBondContact CG-OE1 3.33Å; R20-E24 WeakPolarHBondContact O-CG 3.05Å; R20-E24 PolarHBondContact O-N 3.03Å; K21-E24 PolarHBondContact O-N 2.98Å; E24-N26 PolarHBondContact O-N 3.39Å
25D89.1Confident92.4Very high92 Ų9273.3 Ų73.349%0.49234%0.34SS..THydrogen-bonded Turntrans-81.3-0.2178-65.5-20.5000112.6K21 C27K21-D25 VanDerWaalsContact CE-OD2 3.23Å; K21-D25 WeakPolarHBondContact CE-OD2 3.14Å; K21-D25 VanDerWaalsContact CG-OD2 3.3Å; K21-D25 WeakPolarHBondContact CG-OD2 3.49Å; K21-D25 WeakPolarHBondContact O-CB 3.3Å; K21-D25 PolarHBondContact O-N 2.97Å; D25-C27 WeakPolarHBondContact CB-SG 3.43Å; D25-C27 PolarHBondContact O-N 2.96Å
26N84.2Confident92.5Very high152 Ų15273.7 Ų73.781%0.81334%0.342SS*.THydrogen-bonded Turntrans4938.6-175.6-160.333.2000113.7W22 R23 E24W22-N26 PolarHBondContact O-N 3.37Å; R23-N26 PolarHBondContact O-N 3.15Å; E24-N26 PolarHBondContact O-N 3.39Å
27C83Confident92.5Very high36 Ų3671.2 Ų71.224%0.24333%0.333CS..  trans-80.3126.4-176.6-69.40000111.4W22 D25 N29W22-C27 HydrophobicContact CB-CB 4.27Å; W22-C27 HydrophobicContact CG-CB 4.38Å; W22-C27 PolarHBondContact O-N 3.23Å; D25-C27 WeakPolarHBondContact CB-SG 3.43Å; D25-C27 PolarHBondContact O-N 2.96Å; C27-N29 VanDerWaalsContact C-N 3.31Å; C27-N29 PolarHBondContact O-N 3Å; C27-N29 VanDerWaalsContact O-N 3.08Å
28R82.4Confident92.6Very high194 Ų19470.9 Ų70.973%0.73233%0.329SS*.  trans-86.767.2175.6-161.6173.8-173.7-178.5-0.4111.8S30 D65R28-S30 PolarHBondContact O-N 3.31Å; R28-D65 IonicContact CZ-OD1 3.52Å; R28-D65 IonicContact CZ-OD2 2.85Å; R28-D65 IonicContact NE-OD1 2.8Å; R28-D65 IonicContact NE-OD2 3.5Å; R28-D65 PolarHBondContact NE-OD2 3.09Å; R28-D65 VanDerWaalsContact NH2-CG 3.35Å; R28-D65 IonicContact NH2-OD1 2.62Å; R28-D65 PolarHBondContact NH2-OD1 3.16Å; R28-D65 IonicContact NH2-OD2 3.89Å; R28-D65 PolarHBondContact NH2-OD2 3.15Å
29N91.9Very high92.6Very high40 Ų4067.1 Ų67.121%0.21431%0.313CS..  trans-98.955.3178.2-70.8-29.7000111.2W22 C27 E31 Q32 I33W22-N29 VanDerWaalsContact CD1-ND2 3.33Å; W22-N29 HydrophobicContact CD2-CB 4.45Å; W22-N29 PolarHBondContact NE1-ND2 3.27Å; C27-N29 VanDerWaalsContact C-N 3.31Å; C27-N29 PolarHBondContact O-N 3Å; C27-N29 VanDerWaalsContact O-N 3.08Å; N29-E31 PolarHBondContact O-N 3.16Å; N29-Q32 PolarHBondContact O-N 3.38Å; N29-Q32 PolarHBondContact O-OE1 2.86Å; N29-I33 HydrophobicContact CB-CD1 4.42Å; N29-I33 HydrophobicContact CB-CG1 4.49Å; N29-I33 WeakPolarHBondContact O-CB 3.36Å; N29-I33 VanDerWaalsContact O-CG1 3.24Å; N29-I33 WeakPolarHBondContact O-CG1 3.11Å; N29-I33 PolarHBondContact O-N 3.23Å
30S94.9Very high92.7Very high17 Ų1767.1 Ų67.112%0.11931%0.313CS..Hα-helixtrans-59.9-40.9-163.3-53.10000113.5R28 I33 V34 D65 C66R28-S30 PolarHBondContact O-N 3.31Å; S30-I33 PolarHBondContact O-N 3.39Å; S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 2.92Å; S30-D65 PolarHBondContact OG-OD2 3.45Å; S30-C66 VanDerWaalsContact C-SG 3.57Å
31E95.1Very high92.7Very high130 Ų13063.6 Ų63.661%0.60730%0.301SS*.Hα-helixtrans-60.8-49.8176.2-67.3179.8176.600111.8N29 I33 V34 D35N29-E31 PolarHBondContact O-N 3.16Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.86Å; E31-V34 PolarHBondContact O-N 3.41Å; E31-D35 PolarHBondContact O-N 3.47Å
32Q94.3Very high92.7Very high74 Ų7461.3 Ų61.335%0.34630%0.301SS..Hα-helixtrans-72.3-28.9-177.8-5879.915.600112.4W22 N29 V36W22-Q32 HydrophobicContact CH2-CB 3.45Å; W22-Q32 VanDerWaalsContact CH2-CB 3.45Å; W22-Q32 HydrophobicContact CZ2-CB 4.01Å; W22-Q32 HydrophobicContact CZ3-CB 4.14Å; N29-Q32 PolarHBondContact O-N 3.38Å; N29-Q32 PolarHBondContact O-OE1 2.86Å; Q32-V36 WeakPolarHBondContact O-CB 3.29Å; Q32-V36 VanDerWaalsContact O-CG2 3.26Å; Q32-V36 WeakPolarHBondContact O-CG2 3.33Å; Q32-V36 PolarHBondContact O-N 2.83Å; Q32-V36 VanDerWaalsContact O-N 3.08Å
33I96.3Very high92.7Very high10 Ų1066 Ų665%0.05133%0.325CS..Hα-helixtrans-65.5-43.3172.1-71.6166.1000110L19 W22 N29 S30 E31 G37 Q58 A62L19-I33 HydrophobicContact CD2-CB 4.39Å; L19-I33 HydrophobicContact CD2-CG1 4.27Å; L19-I33 HydrophobicContact CD2-CG2 4.2Å; W22-I33 HydrophobicContact CD2-CG1 4.3Å; W22-I33 HydrophobicContact CE3-CD1 4.49Å; W22-I33 HydrophobicContact CE3-CG1 3.53Å; W22-I33 HydrophobicContact CZ3-CG1 3.95Å; N29-I33 HydrophobicContact CB-CD1 4.42Å; N29-I33 HydrophobicContact CB-CG1 4.49Å; N29-I33 WeakPolarHBondContact O-CB 3.36Å; N29-I33 VanDerWaalsContact O-CG1 3.24Å; N29-I33 WeakPolarHBondContact O-CG1 3.11Å; N29-I33 PolarHBondContact O-N 3.23Å; S30-I33 PolarHBondContact O-N 3.39Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-I33 PolarHBondContact O-N 2.86Å; I33-G37 WeakPolarHBondContact O-CA 3.48Å; I33-G37 PolarHBondContact O-N 3.17Å; I33-Q58 HydrophobicContact CD1-CG 4.48Å; I33-Q58 HydrophobicContact CG2-CG 3.84Å; I33-A62 HydrophobicContact CB-CB 3.75Å; I33-A62 HydrophobicContact CG2-CB 3.4Å
34V97.2Very high92.8Very high4 Ų463.8 Ų63.82%0.02432%0.318CS..Hα-helixtrans-61.4-52.6175.9165.10000110.1S30 E31 V36 G37 E38 A62 A63 C66 L71S30-V34 WeakPolarHBondContact O-CG2 3.29Å; S30-V34 PolarHBondContact O-N 2.92Å; E31-V34 PolarHBondContact O-N 3.41Å; V34-V36 PolarHBondContact O-N 2.75Å; V34-G37 PolarHBondContact O-N 3.29Å; V34-E38 WeakPolarHBondContact O-CB 3.48Å; V34-E38 PolarHBondContact O-N 3.47Å; V34-A62 HydrophobicContact CG2-CB 3.91Å; V34-A63 HydrophobicContact CG2-CB 4.16Å; V34-C66 HydrophobicContact CG2-CB 4.39Å; V34-L71 HydrophobicContact CG1-CD2 3.8Å
35D93.8Very high92.8Very high84 Ų8458.7 Ų58.745%0.44930%0.299SS..Hα-helixtrans-57-53.6-177.6-71.3-15.1000112.3L4 E31 E39L4-D35 HydrophobicContact CD1-CB 3.91Å; L4-D35 WeakPolarHBondContact CD1-O 3.44Å; E31-D35 PolarHBondContact O-N 3.47Å; D35-E39 PolarHBondContact O-N 3.4Å
36V94.4Very high93Very high15 Ų1559.9 Ų59.99%0.09132%0.315CS..Hα-helixtrans-70.5-38.5-177.4176.40000111.3M15 L19 W22 Q32 V34 L40M15-V36 HydrophobicContact CB-CG1 3.58Å; M15-V36 HydrophobicContact CG-CG1 3.91Å; M15-V36 HydrophobicContact SD-CG1 4.41Å; L19-V36 HydrophobicContact CD2-CB 4.36Å; L19-V36 HydrophobicContact CD2-CG1 4.28Å; L19-V36 HydrophobicContact CG-CG1 4.14Å; W22-V36 HydrophobicContact CH2-CG2 4.44Å; W22-V36 HydrophobicContact CZ3-CG2 4.46Å; Q32-V36 WeakPolarHBondContact O-CB 3.29Å; Q32-V36 VanDerWaalsContact O-CG2 3.26Å; Q32-V36 WeakPolarHBondContact O-CG2 3.33Å; Q32-V36 PolarHBondContact O-N 2.83Å; Q32-V36 VanDerWaalsContact O-N 3.08Å; V34-V36 PolarHBondContact O-N 2.75Å; V36-L40 HydrophobicContact CG1-CD1 4.26Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 3.23Å; V36-L40 VanDerWaalsContact O-N 3.07Å
37G95.7Very high93.5Very high0 Ų057.8 Ų57.80%030%0.299CS..Hα-helixtrans-74.9-37.1-176.600000113.8I33 V34 L40 I41I33-G37 WeakPolarHBondContact O-CA 3.48Å; I33-G37 PolarHBondContact O-N 3.17Å; V34-G37 PolarHBondContact O-N 3.29Å; G37-L40 PolarHBondContact O-N 3.1Å; G37-I41 WeakPolarHBondContact O-CB 3.2Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.23Å; G37-I41 PolarHBondContact O-N 2.85Å
38E96.1Very high94Very high64 Ų6456.6 Ų56.630%0.29929%0.29SS..Hα-helixtrans-63-42.8175.1-172.6166-158.900110.6V34 I41 S42 R68 L71V34-E38 WeakPolarHBondContact O-CB 3.48Å; V34-E38 PolarHBondContact O-N 3.47Å; E38-I41 PolarHBondContact O-N 3.39Å; E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.39Å; E38-R68 IonicContact OE1-CZ 2.66Å; E38-R68 IonicContact OE1-NH1 3.61Å; E38-R68 IonicContact OE1-NH2 2.92Å; E38-R68 PolarHBondContact OE1-NH2 3.25Å; E38-R68 IonicContact OE2-CZ 3.55Å; E38-R68 IonicContact OE2-NH1 3.79Å; E38-R68 PolarHBondContact OE2-NH1 3.36Å; E38-R68 IonicContact OE2-NH2 3.38Å; E38-R68 PolarHBondContact OE2-NH2 3.36Å; E38-L71 HydrophobicContact CB-CD2 4.07Å; E38-L71 HydrophobicContact CG-CD1 4.18Å; E38-L71 HydrophobicContact CG-CD2 4.23Å
39E94.4Very high94.5Very high20 Ų2049.7 Ų49.79%0.09328%0.279CS..Hα-helixtrans-64.1-45.4173.7-175.5159.7155.600112.1L4 S5 M15 D35 I41 S42 E43L4-E39 WeakPolarHBondContact CA-OE2 3.38Å; L4-E39 WeakPolarHBondContact CB-OE2 3.48Å; L4-E39 WeakPolarHBondContact CD1-OE2 3.45Å; L4-E39 WeakPolarHBondContact CG-OE2 3.49Å; L4-E39 PolarHBondContact N-OE1 2.68Å; L4-E39 PolarHBondContact N-OE2 2.66Å; S5-E39 WeakPolarHBondContact CB-OE1 3.3Å; S5-E39 PolarHBondContact N-OE1 3.46Å; M15-E39 HydrophobicContact SD-CG 4.47Å; D35-E39 PolarHBondContact O-N 3.4Å; E39-I41 PolarHBondContact O-N 2.85Å; E39-S42 WeakPolarHBondContact CA-OG 3.4Å; E39-S42 PolarHBondContact O-N 3.25Å; E39-S42 PolarHBondContact O-OG 3.49Å; E39-S42 VanDerWaalsContact O-OG 3.13Å; E39-E43 HydrophobicContact CG-CG 4.47Å; E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 3.1Å
40L95.2Very high94.5Very high0 Ų054.2 Ų54.20%030%0.303CS..Hα-helixtrans-60.9-42.6177.4-87.4177.9000113.1W12 M15 L19 V36 G37 H44 A45 L48W12-L40 HydrophobicContact CB-CD2 4.12Å; M15-L40 HydrophobicContact CB-CD1 3.71Å; M15-L40 HydrophobicContact CB-CD2 3.89Å; M15-L40 HydrophobicContact CB-CG 3.79Å; M15-L40 HydrophobicContact SD-CD2 4.33Å; M15-L40 HydrophobicContact SD-CG 4.21Å; L19-L40 HydrophobicContact CD1-CD1 3.61Å; L19-L40 HydrophobicContact CG-CD1 4.3Å; V36-L40 HydrophobicContact CG1-CD1 4.26Å; V36-L40 WeakPolarHBondContact O-CB 3.36Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 3.23Å; V36-L40 VanDerWaalsContact O-N 3.07Å; G37-L40 PolarHBondContact O-N 3.1Å; L40-H44 HydrophobicContact CD2-CB 4.14Å; L40-H44 CarbonylContact O-C 3.58Å; L40-H44 VanDerWaalsContact O-C 3.23Å; L40-H44 WeakPolarHBondContact O-CA 3.49Å; L40-H44 PolarHBondContact O-N 2.84Å; L40-A45 PolarHBondContact O-N 2.63Å; L40-A45 VanDerWaalsContact O-N 3.09Å; L40-L48 HydrophobicContact CB-CD1 4.24Å; L40-L48 HydrophobicContact CD2-CD1 4.46Å; L40-L48 HydrophobicContact CD2-CD2 4.31Å
41I96.1Very high94.4Very high23 Ų2355.7 Ų55.712%0.11831%0.31CS..Hα-helixtrans-68.4-41.6179.5-71.6165.4000110.7G37 E38 E39 A45 I52 I55 Y56 V59G37-I41 WeakPolarHBondContact O-CB 3.2Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.23Å; G37-I41 PolarHBondContact O-N 2.85Å; E38-I41 PolarHBondContact O-N 3.39Å; E39-I41 PolarHBondContact O-N 2.85Å; I41-A45 VanDerWaalsContact O-CB 3.29Å; I41-A45 WeakPolarHBondContact O-CB 3.42Å; I41-I52 HydrophobicContact CG1-CD1 4.24Å; I41-I55 HydrophobicContact CD1-CG2 4.23Å; I41-I55 HydrophobicContact CG1-CG2 4.08Å; I41-Y56 HydrophobicContact CB-CE1 4.49Å; I41-Y56 HydrophobicContact CD1-CD1 3.7Å; I41-Y56 HydrophobicContact CD1-CE1 3.86Å; I41-Y56 HydrophobicContact CD1-CG 4.41Å; I41-Y56 HydrophobicContact CG1-CD1 4.29Å; I41-Y56 HydrophobicContact CG1-CE1 4.11Å; I41-Y56 HydrophobicContact CG2-CD1 4.47Å; I41-Y56 HydrophobicContact CG2-CE1 3.54Å; I41-V59 HydrophobicContact CD1-CB 4.02Å; I41-V59 HydrophobicContact CD1-CG1 4.09Å; I41-V59 HydrophobicContact CD1-CG2 3.9Å
42S94.4Very high94.5Very high78 Ų7850.1 Ų50.155%0.54528%0.284SS..Hα-helixtrans-75-45.4-176.6510000113.1E38 E39E38-S42 WeakPolarHBondContact O-CB 3.45Å; E38-S42 PolarHBondContact O-N 3.22Å; E38-S42 PolarHBondContact O-OG 3.39Å; E39-S42 WeakPolarHBondContact CA-OG 3.4Å; E39-S42 PolarHBondContact O-N 3.25Å; E39-S42 PolarHBondContact O-OG 3.49Å; E39-S42 VanDerWaalsContact O-OG 3.13Å
43E93.9Very high94.7Very high131 Ų13149.6 Ų49.661%0.61228%0.279SS*.Hα-helixtrans-100.2-23-169.9-62.7-60.5150.100113.5E39E39-E43 HydrophobicContact CG-CG 4.47Å; E39-E43 WeakPolarHBondContact O-CB 3.22Å; E39-E43 PolarHBondContact O-N 3.1Å
44H94.3Very high94.7Very high34 Ų3452.2 Ų52.216%0.15729%0.292CS..Hα-helixtrans-133.311.1-165.6-59.7-35.2000115.1W12 L40 S46 K47W12-H44 HydrophobicContact CB-CB 4.23Å; W12-H44 WeakPolarHBondContact CB-CD2 3.46Å; L40-H44 HydrophobicContact CD2-CB 4.14Å; L40-H44 CarbonylContact O-C 3.58Å; L40-H44 VanDerWaalsContact O-C 3.23Å; L40-H44 WeakPolarHBondContact O-CA 3.49Å; L40-H44 PolarHBondContact O-N 2.84Å; H44-S46 VanDerWaalsContact C-N 3.26Å; H44-S46 PolarHBondContact O-N 2.97Å; H44-S46 VanDerWaalsContact O-N 3.14Å; H44-K47 WeakPolarHBondContact O-CB 3.46Å; H44-K47 PolarHBondContact O-N 3.31Å
45A92.7Very high94.6Very high34 Ų3452 Ų5228%0.28129%0.291SS..G310 helixtrans-51.4-41.4-17900000114.1L40 I41 K47 L48 I52L40-A45 PolarHBondContact O-N 2.63Å; L40-A45 VanDerWaalsContact O-N 3.09Å; I41-A45 VanDerWaalsContact O-CB 3.29Å; I41-A45 WeakPolarHBondContact O-CB 3.42Å; A45-K47 PolarHBondContact O-N 2.71Å; A45-L48 PolarHBondContact O-N 2.93Å; A45-I52 HydrophobicContact CB-CD1 4.03Å
46S93.5Very high94.9Very high117 Ų11749.2 Ų49.282%0.81828%0.275SS*.G310 helixtrans-66.3-19.7-179.359.70000114.2H44H44-S46 VanDerWaalsContact C-N 3.26Å; H44-S46 PolarHBondContact O-N 2.97Å; H44-S46 VanDerWaalsContact O-N 3.14Å
47K94.3Very high95Very high109 Ų10949.1 Ų49.147%0.47427%0.273SS..G310 helixtrans-91.4-14.3-179.9-60.9-178.6-178.1172.60113.3W12 H44 A45W12-K47 HydrophobicContact CD2-CB 4.3Å; W12-K47 HydrophobicContact CD2-CD 4.12Å; W12-K47 HydrophobicContact CE3-CB 4.17Å; W12-K47 HydrophobicContact CG-CD 4.32Å; W12-K47 HydrophobicContact CH2-CB 4.04Å; W12-K47 HydrophobicContact CZ2-CB 4.19Å; W12-K47 HydrophobicContact CZ2-CD 4.34Å; W12-K47 HydrophobicContact CZ3-CB 4.03Å; H44-K47 WeakPolarHBondContact O-CB 3.46Å; H44-K47 PolarHBondContact O-N 3.31Å; A45-K47 PolarHBondContact O-N 2.71Å
48L93.1Very high95.1Very high10 Ų1050 Ų505%0.05228%0.277CS..SBendtrans-82.5-15.2-171.3-70.7171.5000113.8W12 R16 L40 A45 D50 D51 I52 I55W12-L48 HydrophobicContact CE3-CD2 4.14Å; W12-L48 HydrophobicContact CZ3-CD2 4.14Å; R16-L48 HydrophobicContact CB-CD2 4.08Å; R16-L48 HydrophobicContact CG-CD2 3.95Å; L40-L48 HydrophobicContact CB-CD1 4.24Å; L40-L48 HydrophobicContact CD2-CD1 4.46Å; L40-L48 HydrophobicContact CD2-CD2 4.31Å; A45-L48 PolarHBondContact O-N 2.93Å; L48-D50 PolarHBondContact O-N 3.13Å; L48-D51 WeakPolarHBondContact O-CB 3.32Å; L48-D51 PolarHBondContact O-N 3.36Å; L48-I52 HydrophobicContact CB-CB 4.05Å; L48-I52 HydrophobicContact CB-CD1 4.41Å; L48-I52 HydrophobicContact CD1-CD1 3.63Å; L48-I55 HydrophobicContact CD1-CD1 3.77Å; L48-I55 HydrophobicContact CD2-CD1 3.84Å; L48-I55 HydrophobicContact CG-CD1 4.31Å
49G93.8Very high95.1Very high49 Ų4946.9 Ų46.951%0.50526%0.263SS..THydrogen-bonded Turntrans56.9-133.8-17800000111.2D51 I52G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 2.99Å; G49-I52 WeakPolarHBondContact O-CG2 3.46Å
50D91.1Very high95.3Very high136 Ų13646 Ų4673%0.72726%0.258SS*.THydrogen-bonded Turntrans-73.7-19.2-178.7-69.6-23.7000114L48 I52 W53L48-D50 PolarHBondContact O-N 3.13Å; D50-I52 PolarHBondContact O-N 2.92Å; D50-I52 VanDerWaalsContact O-N 3.15Å; D50-W53 PolarHBondContact O-N 3.09Å
51D93.6Very high95.4Very high48 Ų4848.7 Ų48.726%0.25727%0.272SS..Hα-helixtrans-63.5-22.2178.7-78.11.1000111.6R20 L48 G49 W53 I54 I55R20-D51 IonicContact CZ-OD2 2.95Å; R20-D51 IonicContact NH2-OD2 2.75Å; R20-D51 PolarHBondContact NH2-OD2 3.49Å; L48-D51 WeakPolarHBondContact O-CB 3.32Å; L48-D51 PolarHBondContact O-N 3.36Å; G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 2.99Å; D51-W53 PolarHBondContact O-N 3.49Å; D51-I54 PolarHBondContact O-N 3.36Å; D51-I55 HydrophobicContact CB-CD1 4.35Å; D51-I55 WeakPolarHBondContact O-CG1 3.39Å; D51-I55 PolarHBondContact O-N 3.03Å
52I96.9Very high95.4Very high12 Ų1247.8 Ų47.86%0.06227%0.268CS..Hα-helixtrans-54.4-37.4-179-170.357.9000112.5I41 A45 L48 G49 D50 I55 Y56I41-I52 HydrophobicContact CG1-CD1 4.24Å; A45-I52 HydrophobicContact CB-CD1 4.03Å; L48-I52 HydrophobicContact CB-CB 4.05Å; L48-I52 HydrophobicContact CB-CD1 4.41Å; L48-I52 HydrophobicContact CD1-CD1 3.63Å; G49-I52 WeakPolarHBondContact O-CG2 3.46Å; D50-I52 PolarHBondContact O-N 2.92Å; D50-I52 VanDerWaalsContact O-N 3.15Å; I52-I55 PolarHBondContact O-N 3.12Å; I52-Y56 HydrophobicContact CD1-CD2 4.14Å; I52-Y56 HydrophobicContact CD1-CE2 3.86Å; I52-Y56 HydrophobicContact CG1-CD2 3.74Å; I52-Y56 HydrophobicContact CG1-CE2 3.51Å; I52-Y56 VanDerWaalsContact O-CD2 3.23Å; I52-Y56 WeakPolarHBondContact O-CD2 3.49Å; I52-Y56 PolarHBondContact O-N 3.48Å
53W97.3Very high95.6Very high64 Ų6444 Ų4424%0.24224%0.242CC..Hα-helixtrans-72.1-38.3-176.2-52.3119.3000112.1D50 D51 I55 Y56 E57 L79 Q82 F83D50-W53 PolarHBondContact O-N 3.09Å; D51-W53 PolarHBondContact O-N 3.49Å; W53-I55 VanDerWaalsContact C-N 3.32Å; W53-Y56 AromaticContact CE3-CD2 3.93Å; W53-Y56 HydrophobicContact CE3-CD2 3.93Å; W53-Y56 HydrophobicContact CE3-CE2 4.38Å; W53-Y56 HydrophobicContact CZ3-CD2 4.15Å; W53-Y56 HydrophobicContact CZ3-CE2 4.16Å; W53-Y56 PolarHBondContact O-N 3.1Å; W53-E57 PolarHBondContact O-N 3.28Å; W53-E57 VanDerWaalsContact O-N 3.15Å; W53-L79 HydrophobicContact CB-CD2 4.49Å; W53-Q82 HydrophobicContact CD2-CG 4.04Å; W53-Q82 HydrophobicContact CE3-CB 4.22Å; W53-Q82 HydrophobicContact CE3-CG 4.15Å; W53-Q82 HydrophobicContact CH2-CB 4.02Å; W53-Q82 HydrophobicContact CH2-CG 3.89Å; W53-Q82 HydrophobicContact CZ2-CB 4.41Å; W53-Q82 HydrophobicContact CZ2-CG 3.77Å; W53-Q82 HydrophobicContact CZ3-CB 3.92Å; W53-Q82 HydrophobicContact CZ3-CG 4.08Å; W53-F83 HydrophobicContact CB-CE2 3.95Å; W53-F83 HydrophobicContact CB-CZ 4.2Å; W53-F83 HydrophobicContact CD2-CE2 4Å; W53-F83 HydrophobicContact CD2-CZ 4.23Å; W53-F83 HydrophobicContact CE3-CE2 4.28Å; W53-F83 AromaticContact CG-CE2 3.84Å; W53-F83 HydrophobicContact CG-CE2 3.84Å; W53-F83 AromaticContact CG-CZ 3.85Å; W53-F83 HydrophobicContact CG-CZ 3.85Å
54I96.3Very high95.7Very high64 Ų6438.9 Ų38.933%0.32822%0.219SC..Hα-helixtrans-74.2-31.5177.1-31.3-177.4000109.8R23 D51 Q58R23-I54 PolarHBondContact NH1-O 3.3Å; D51-I54 PolarHBondContact O-N 3.36Å; I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 PolarHBondContact O-N 2.96Å
55I97.1Very high95.8Very high1 Ų140.5 Ų40.51%0.00523%0.228CC..Hα-helixtrans-64.9-48171-69.4166.5000110.5R16 L19 I41 L48 D51 I52 W53 E57 Q58 V59R16-I55 HydrophobicContact CG-CD1 4.42Å; L19-I55 HydrophobicContact CD1-CD1 4.46Å; L19-I55 HydrophobicContact CD1-CG1 4.06Å; L19-I55 HydrophobicContact CD1-CG2 3.82Å; I41-I55 HydrophobicContact CD1-CG2 4.23Å; I41-I55 HydrophobicContact CG1-CG2 4.08Å; L48-I55 HydrophobicContact CD1-CD1 3.77Å; L48-I55 HydrophobicContact CD2-CD1 3.84Å; L48-I55 HydrophobicContact CG-CD1 4.31Å; D51-I55 HydrophobicContact CB-CD1 4.35Å; D51-I55 WeakPolarHBondContact O-CG1 3.39Å; D51-I55 PolarHBondContact O-N 3.03Å; I52-I55 PolarHBondContact O-N 3.12Å; W53-I55 VanDerWaalsContact C-N 3.32Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.25Å; I55-Q58 PolarHBondContact O-N 3.06Å; I55-Q58 VanDerWaalsContact O-N 3.11Å; I55-V59 HydrophobicContact CG2-CG2 4.11Å; I55-V59 WeakPolarHBondContact O-CB 3.38Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 3.35Å
56Y98.3Very high95.9Very high25 Ų2540.8 Ų40.810%0.09823%0.228CC..Hα-helixtrans-53.5-45.2175.4-90.5-59.5000112.4I41 I52 W53 M60 C75 E78I41-Y56 HydrophobicContact CB-CE1 4.49Å; I41-Y56 HydrophobicContact CD1-CD1 3.7Å; I41-Y56 HydrophobicContact CD1-CE1 3.86Å; I41-Y56 HydrophobicContact CD1-CG 4.41Å; I41-Y56 HydrophobicContact CG1-CD1 4.29Å; I41-Y56 HydrophobicContact CG1-CE1 4.11Å; I41-Y56 HydrophobicContact CG2-CD1 4.47Å; I41-Y56 HydrophobicContact CG2-CE1 3.54Å; I52-Y56 HydrophobicContact CD1-CD2 4.14Å; I52-Y56 HydrophobicContact CD1-CE2 3.86Å; I52-Y56 HydrophobicContact CG1-CD2 3.74Å; I52-Y56 HydrophobicContact CG1-CE2 3.51Å; I52-Y56 VanDerWaalsContact O-CD2 3.23Å; I52-Y56 WeakPolarHBondContact O-CD2 3.49Å; I52-Y56 PolarHBondContact O-N 3.48Å; W53-Y56 AromaticContact CE3-CD2 3.93Å; W53-Y56 HydrophobicContact CE3-CD2 3.93Å; W53-Y56 HydrophobicContact CE3-CE2 4.38Å; W53-Y56 HydrophobicContact CZ3-CD2 4.15Å; W53-Y56 HydrophobicContact CZ3-CE2 4.16Å; W53-Y56 PolarHBondContact O-N 3.1Å; Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 3.28Å; Y56-C75 HydrophobicContact CD1-CB 3.79Å; Y56-C75 WeakPolarHBondContact O-CB 3.36Å; Y56-E78 HydrophobicContact CD1-CB 4.46Å; Y56-E78 HydrophobicContact CD2-CB 4.48Å; Y56-E78 HydrophobicContact CE1-CB 4.1Å; Y56-E78 HydrophobicContact CE1-CG 4.09Å; Y56-E78 HydrophobicContact CE2-CB 4.12Å
57E97.5Very high96Very high13 Ų1340.4 Ų40.46%0.06123%0.225CC..Hα-helixtrans-66.5-42.2177.6179.3177.5-157.300112.5W53 I55 M60 I61 L79 R88 R91 L92W53-E57 PolarHBondContact O-N 3.28Å; W53-E57 VanDerWaalsContact O-N 3.15Å; I55-E57 VanDerWaalsContact C-N 3.29Å; I55-E57 PolarHBondContact O-N 3.25Å; E57-M60 PolarHBondContact O-N 2.99Å; E57-I61 HydrophobicContact CG-CD1 3.97Å; E57-I61 WeakPolarHBondContact O-CG1 3.33Å; E57-I61 PolarHBondContact O-N 2.93Å; E57-L79 HydrophobicContact CB-CD1 4.13Å; E57-R88 WeakPolarHBondContact OE1-CG 3.32Å; E57-R88 IonicContact OE1-CZ 3.26Å; E57-R88 IonicContact OE1-NE 3.9Å; E57-R88 PolarHBondContact OE1-NE 2.94Å; E57-R88 IonicContact OE1-NH2 3.79Å; E57-R88 IonicContact OE2-CZ 3.3Å; E57-R88 IonicContact OE2-NE 2.75Å; E57-R88 PolarHBondContact OE2-NE 3.33Å; E57-R88 IonicContact OE2-NH2 3.5Å; E57-R88 PolarHBondContact OE2-NH2 3.01Å; E57-R91 IonicContact OE1-NH2 2.79Å; E57-L92 HydrophobicContact CB-CD1 4.42Å; E57-L92 HydrophobicContact CG-CD1 3.91Å; E57-L92 HydrophobicContact CG-CD2 4.07Å
58Q96.8Very high96.2Very high17 Ų1738.7 Ų38.78%0.07922%0.216CC..Hα-helixtrans-62.4-45.3178.9-167.51786.500111.7L19 I33 I54 I55 I61 A62L19-Q58 PolarHBondContact O-NE2 2.99Å; L19-Q58 PolarHBondContact O-OE1 3.32Å; I33-Q58 HydrophobicContact CD1-CG 4.48Å; I33-Q58 HydrophobicContact CG2-CG 3.84Å; I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 PolarHBondContact O-N 2.96Å; I55-Q58 PolarHBondContact O-N 3.06Å; I55-Q58 VanDerWaalsContact O-N 3.11Å; Q58-I61 PolarHBondContact O-N 3.46Å; Q58-A62 WeakPolarHBondContact O-CB 3.49Å; Q58-A62 PolarHBondContact O-N 3.21Å
59V97.7Very high96.4Very high0 Ų040.6 Ų40.60%023%0.226CC..Hα-helixtrans-65.6-40.6176.4176.20000110.4I41 I55 I61 A62 A63 L71I41-V59 HydrophobicContact CD1-CB 4.02Å; I41-V59 HydrophobicContact CD1-CG1 4.09Å; I41-V59 HydrophobicContact CD1-CG2 3.9Å; I55-V59 HydrophobicContact CG2-CG2 4.11Å; I55-V59 WeakPolarHBondContact O-CB 3.38Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.48Å; I55-V59 PolarHBondContact O-N 3.35Å; V59-I61 PolarHBondContact O-N 3.27Å; V59-A62 PolarHBondContact O-N 3.41Å; V59-A63 WeakPolarHBondContact O-CB 3.39Å; V59-A63 PolarHBondContact O-N 2.88Å; V59-L71 HydrophobicContact CG1-CD1 4.22Å; V59-L71 HydrophobicContact CG1-CD2 3.61Å; V59-L71 HydrophobicContact CG1-CG 3.87Å
60M97.9Very high96.5Very high0 Ų042.4 Ų42.40%022%0.224CC..Hα-helixtrans-58.3-48.3176.3-174.2-86.8176.400111.7Y56 E57 A63 L64 A72 C75 L76 L92 R96Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 3.28Å; E57-M60 PolarHBondContact O-N 2.99Å; M60-A63 PolarHBondContact O-N 2.74Å; M60-L64 HydrophobicContact CE-CD1 3.65Å; M60-L64 HydrophobicContact CE-CD2 4.32Å; M60-L64 HydrophobicContact CE-CG 4.09Å; M60-L64 WeakPolarHBondContact O-CG 3.49Å; M60-L64 PolarHBondContact O-N 3.33Å; M60-L64 VanDerWaalsContact O-N 3.1Å; M60-L64 HydrophobicContact SD-CD1 3.95Å; M60-L64 HydrophobicContact SD-CG 4.3Å; M60-A72 HydrophobicContact CG-CB 4.37Å; M60-A72 WeakPolarHBondContact CG-O 3.23Å; M60-C75 HydrophobicContact CB-CB 3.72Å; M60-C75 HydrophobicContact CG-CB 4.25Å; M60-L76 HydrophobicContact CE-CB 4.43Å; M60-L76 HydrophobicContact CE-CD2 4.35Å; M60-L76 HydrophobicContact CG-CB 4.43Å; M60-L92 HydrophobicContact CE-CB 4.05Å; M60-L92 VanDerWaalsContact CE-O 3.29Å; M60-L92 WeakPolarHBondContact CE-O 3.44Å; M60-L92 HydrophobicContact SD-CB 4.08Å; M60-L92 HydrophobicContact SD-CD2 3.86Å; M60-L92 HydrophobicContact SD-CG 4.37Å; M60-R96 HydrophobicContact CE-CB 3.96Å
61I96.5Very high96.9Very high58 Ų5836.5 Ų36.530%0.29719%0.192SC..Hα-helixtrans-64.4-46179.6-66.1168000110.7E57 Q58 V59 A63 L64 D65 L92 M95E57-I61 HydrophobicContact CG-CD1 3.97Å; E57-I61 WeakPolarHBondContact O-CG1 3.33Å; E57-I61 PolarHBondContact O-N 2.93Å; Q58-I61 PolarHBondContact O-N 3.46Å; V59-I61 PolarHBondContact O-N 3.27Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 2.76Å; I61-L64 PolarHBondContact O-N 3.03Å; I61-D65 PolarHBondContact O-N 3.23Å; I61-L92 HydrophobicContact CD1-CD2 4.23Å; I61-L92 HydrophobicContact CG1-CD2 4.02Å; I61-M95 HydrophobicContact CG1-CE 4.02Å; I61-M95 HydrophobicContact CG2-CE 4.37Å
62A97.3Very high97.1Very high3 Ų334.2 Ų34.23%0.02518%0.18CC..Hα-helixtrans-64.9-36.5178.300000112.6I33 V34 Q58 V59 L64 D65 C66I33-A62 HydrophobicContact CB-CB 3.75Å; I33-A62 HydrophobicContact CG2-CB 3.4Å; V34-A62 HydrophobicContact CG2-CB 3.91Å; Q58-A62 WeakPolarHBondContact O-CB 3.49Å; Q58-A62 PolarHBondContact O-N 3.21Å; V59-A62 PolarHBondContact O-N 3.41Å; A62-L64 VanDerWaalsContact C-N 3.34Å; A62-L64 PolarHBondContact O-N 3Å; A62-D65 WeakPolarHBondContact O-CB 3.38Å; A62-D65 PolarHBondContact O-N 3.36Å; A62-C66 PolarHBondContact O-N 3.22Å; A62-C66 PolarHBondContact O-SG 2.88Å; A62-C66 VanDerWaalsContact O-SG 3.42Å
63A97.9Very high97.1Very high0 Ų036.3 Ų36.30%019%0.191CC..Hα-helixtrans-65.4-36.4176.300000111.9V34 V59 M60 I61 C66 S67 R68 L71 A72V34-A63 HydrophobicContact CG2-CB 4.16Å; V59-A63 WeakPolarHBondContact O-CB 3.39Å; V59-A63 PolarHBondContact O-N 2.88Å; M60-A63 PolarHBondContact O-N 2.74Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-A63 PolarHBondContact O-N 2.76Å; A63-C66 CarbonylContact O-C 3.23Å; A63-C66 PolarHBondContact O-N 2.76Å; A63-S67 PolarHBondContact O-N 3.49Å; A63-S67 VanDerWaalsContact O-N 3.09Å; A63-R68 HydrophobicContact CB-CB 4.1Å; A63-R68 PolarHBondContact O-N 3.14Å; A63-L71 HydrophobicContact CB-CB 4.12Å; A63-L71 HydrophobicContact CB-CD2 4.18Å; A63-L71 HydrophobicContact CB-CG 4.17Å; A63-A72 HydrophobicContact CB-CB 3.9Å
64L96.9Very high97.2Very high23 Ų2336.6 Ų36.612%0.1220%0.2CC..Hα-helixtrans-62.1-44.9171.6-66.9-177.3000111.7M60 I61 A62 C66 S67 A72 M95 R96 A99M60-L64 HydrophobicContact CE-CD1 3.65Å; M60-L64 HydrophobicContact CE-CD2 4.32Å; M60-L64 HydrophobicContact CE-CG 4.09Å; M60-L64 WeakPolarHBondContact O-CG 3.49Å; M60-L64 PolarHBondContact O-N 3.33Å; M60-L64 VanDerWaalsContact O-N 3.1Å; M60-L64 HydrophobicContact SD-CD1 3.95Å; M60-L64 HydrophobicContact SD-CG 4.3Å; I61-L64 PolarHBondContact O-N 3.03Å; A62-L64 VanDerWaalsContact C-N 3.34Å; A62-L64 PolarHBondContact O-N 3Å; L64-C66 VanDerWaalsContact C-N 3.26Å; L64-C66 PolarHBondContact O-N 2.92Å; L64-S67 PolarHBondContact O-N 3.09Å; L64-S67 VanDerWaalsContact O-N 3.12Å; L64-A72 HydrophobicContact CD2-CB 3.61Å; L64-A72 HydrophobicContact CG-CB 4.09Å; L64-M95 HydrophobicContact CD1-CB 3.92Å; L64-R96 HydrophobicContact CD2-CB 4.16Å; L64-R96 HydrophobicContact CD2-CG 4.12Å; L64-A99 HydrophobicContact CB-CB 4.36Å; L64-A99 HydrophobicContact CD1-CB 4.48Å; L64-A99 HydrophobicContact CD2-CB 3.89Å; L64-A99 HydrophobicContact CG-CB 4.47Å
65D94.8Very high97.3Very high67 Ų6733.6 Ų33.636%0.35819%0.185SC..Hα-helixtrans-60.1-36.8175.8-79.5-11.9000112R28 S30 I61 A62 S67R28-D65 IonicContact CZ-OD1 3.52Å; R28-D65 IonicContact CZ-OD2 2.85Å; R28-D65 IonicContact NE-OD1 2.8Å; R28-D65 IonicContact NE-OD2 3.5Å; R28-D65 PolarHBondContact NE-OD2 3.09Å; R28-D65 VanDerWaalsContact NH2-CG 3.35Å; R28-D65 IonicContact NH2-OD1 2.62Å; R28-D65 PolarHBondContact NH2-OD1 3.16Å; R28-D65 IonicContact NH2-OD2 3.89Å; R28-D65 PolarHBondContact NH2-OD2 3.15Å; S30-D65 PolarHBondContact OG-OD2 3.45Å; I61-D65 PolarHBondContact O-N 3.23Å; A62-D65 WeakPolarHBondContact O-CB 3.38Å; A62-D65 PolarHBondContact O-N 3.36Å; D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.06Å
66C96.3Very high97.4Very high41 Ų4133.8 Ų33.828%0.27719%0.186SC..THydrogen-bonded Turntrans-86.36.8178.5-65.30000114S30 V34 A62 A63 L64 R68S30-C66 VanDerWaalsContact C-SG 3.57Å; V34-C66 HydrophobicContact CG2-CB 4.39Å; A62-C66 PolarHBondContact O-N 3.22Å; A62-C66 PolarHBondContact O-SG 2.88Å; A62-C66 VanDerWaalsContact O-SG 3.42Å; A63-C66 CarbonylContact O-C 3.23Å; A63-C66 PolarHBondContact O-N 2.76Å; L64-C66 VanDerWaalsContact C-N 3.26Å; L64-C66 PolarHBondContact O-N 2.92Å; C66-R68 HydrophobicContact CB-CG 4.21Å; C66-R68 PolarHBondContact O-N 3.14Å; C66-R68 VanDerWaalsContact O-N 3.1Å
67S95.7Very high97.4Very high108 Ų10837 Ų3776%0.75520%0.201SC*.THydrogen-bonded Turntrans55.223.5-175.3-55.40000114.7A63 L64 D65 D69A63-S67 PolarHBondContact O-N 3.49Å; A63-S67 VanDerWaalsContact O-N 3.09Å; L64-S67 PolarHBondContact O-N 3.09Å; L64-S67 VanDerWaalsContact O-N 3.12Å; D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 3.06Å; S67-D69 VanDerWaalsContact C-N 3.32Å; S67-D69 PolarHBondContact O-N 2.93Å
68R97.2Very high97.4Very high73 Ų7339 Ų3928%0.27521%0.211SC..  trans-86.467.3173.9-71.6-72.2-54.3-78.4-1.3109.8E38 A63 C66 D70 L71 A72E38-R68 IonicContact OE1-CZ 2.66Å; E38-R68 IonicContact OE1-NH1 3.61Å; E38-R68 IonicContact OE1-NH2 2.92Å; E38-R68 PolarHBondContact OE1-NH2 3.25Å; E38-R68 IonicContact OE2-CZ 3.55Å; E38-R68 IonicContact OE2-NH1 3.79Å; E38-R68 PolarHBondContact OE2-NH1 3.36Å; E38-R68 IonicContact OE2-NH2 3.38Å; E38-R68 PolarHBondContact OE2-NH2 3.36Å; A63-R68 HydrophobicContact CB-CB 4.1Å; A63-R68 PolarHBondContact O-N 3.14Å; C66-R68 HydrophobicContact CB-CG 4.21Å; C66-R68 PolarHBondContact O-N 3.14Å; C66-R68 VanDerWaalsContact O-N 3.1Å; R68-D70 VanDerWaalsContact C-OD1 3.23Å; R68-D70 WeakPolarHBondContact CA-OD1 3.44Å; R68-D70 IonicContact CZ-OD2 3.74Å; R68-D70 IonicContact NE-OD1 2.59Å; R68-D70 PolarHBondContact NE-OD1 3.07Å; R68-D70 VanDerWaalsContact NE-OD1 3.17Å; R68-D70 IonicContact NE-OD2 2.79Å; R68-D70 PolarHBondContact NE-OD2 3.2Å; R68-D70 IonicContact NH2-OD2 2.93Å; R68-D70 PolarHBondContact NH2-OD2 2.85Å; R68-D70 PolarHBondContact O-N 3.24Å; R68-L71 HydrophobicContact CB-CB 4.31Å; R68-L71 PolarHBondContact O-N 3.32Å; R68-A72 PolarHBondContact O-N 2.89Å
69D97.2Very high97.4Very high50 Ų5038.5 Ų38.527%0.26721%0.209SC..Hα-helixtrans-61.4-28.3-177.8-175.463.6000112.8S67 L73 R96S67-D69 VanDerWaalsContact C-N 3.32Å; S67-D69 PolarHBondContact O-N 2.93Å; D69-L73 WeakPolarHBondContact O-CB 3.09Å; D69-L73 PolarHBondContact O-N 2.94Å; D69-R96 IonicContact OD1-CZ 3.72Å; D69-R96 IonicContact OD1-NE 3.14Å; D69-R96 PolarHBondContact OD1-NE 3.14Å; D69-R96 IonicContact OD1-NH2 3.65Å; D69-R96 PolarHBondContact OD1-NH2 3.22Å; D69-R96 IonicContact OD2-CZ 3.14Å; D69-R96 IonicContact OD2-NE 3.77Å; D69-R96 IonicContact OD2-NH2 2.9Å; D69-R96 PolarHBondContact OD2-NH2 3.49Å
70D97.3Very high97.5Very high88 Ų8845.3 Ų45.347%0.47123%0.234SC..Hα-helixtrans-56.8-50.6173.759.5-53.7000112R68 T74R68-D70 VanDerWaalsContact C-OD1 3.23Å; R68-D70 WeakPolarHBondContact CA-OD1 3.44Å; R68-D70 IonicContact CZ-OD2 3.74Å; R68-D70 IonicContact NE-OD1 2.59Å; R68-D70 PolarHBondContact NE-OD1 3.07Å; R68-D70 VanDerWaalsContact NE-OD1 3.17Å; R68-D70 IonicContact NE-OD2 2.79Å; R68-D70 PolarHBondContact NE-OD2 3.2Å; R68-D70 IonicContact NH2-OD2 2.93Å; R68-D70 PolarHBondContact NH2-OD2 2.85Å; R68-D70 PolarHBondContact O-N 3.24Å; D70-T74 PolarHBondContact O-N 3.48Å; D70-T74 VanDerWaalsContact O-N 3.16Å; D70-T74 PolarHBondContact O-OG1 3.25Å
71L98.1Very high97.4Very high12 Ų1252 Ų526%0.06326%0.264CS..Hα-helixtrans-72.7-44.1179.6-177.859.6000110.7V34 E38 V59 A63 R68 L73 T74 C75V34-L71 HydrophobicContact CG1-CD2 3.8Å; E38-L71 HydrophobicContact CB-CD2 4.07Å; E38-L71 HydrophobicContact CG-CD1 4.18Å; E38-L71 HydrophobicContact CG-CD2 4.23Å; V59-L71 HydrophobicContact CG1-CD1 4.22Å; V59-L71 HydrophobicContact CG1-CD2 3.61Å; V59-L71 HydrophobicContact CG1-CG 3.87Å; A63-L71 HydrophobicContact CB-CB 4.12Å; A63-L71 HydrophobicContact CB-CD2 4.18Å; A63-L71 HydrophobicContact CB-CG 4.17Å; R68-L71 HydrophobicContact CB-CB 4.31Å; R68-L71 PolarHBondContact O-N 3.32Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.4Å; L71-T74 WeakPolarHBondContact O-CB 3.34Å; L71-T74 PolarHBondContact O-N 3.19Å; L71-T74 VanDerWaalsContact O-N 3.17Å; L71-C75 PolarHBondContact O-N 3.44Å; L71-C75 PolarHBondContact O-SG 2.94Å
72A98.3Very high97.5Very high0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-58.2-41.8177.900000112.1M60 A63 L64 R68 L76M60-A72 HydrophobicContact CG-CB 4.37Å; M60-A72 WeakPolarHBondContact CG-O 3.23Å; A63-A72 HydrophobicContact CB-CB 3.9Å; L64-A72 HydrophobicContact CD2-CB 3.61Å; L64-A72 HydrophobicContact CG-CB 4.09Å; R68-A72 PolarHBondContact O-N 2.89Å; A72-L76 VanDerWaalsContact O-CB 3.24Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.47Å
73L98.1Very high97.5Very high55 Ų5557.5 Ų57.529%0.28829%0.286SS..Hα-helixtrans-65.7-44.4176.4179.859.2000111.7D69 L71 L76 Q77D69-L73 WeakPolarHBondContact O-CB 3.09Å; D69-L73 PolarHBondContact O-N 2.94Å; L71-L73 VanDerWaalsContact C-N 3.29Å; L71-L73 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.04Å; L73-Q77 HydrophobicContact CD1-CG 4.21Å; L73-Q77 VanDerWaalsContact O-CG 3.29Å; L73-Q77 WeakPolarHBondContact O-CG 3.37Å; L73-Q77 PolarHBondContact O-N 3.46Å
74T98.1Very high97.3Very high71 Ų7161.7 Ų61.744%0.43631%0.314SS..Hα-helixtrans-57.5-52.3176.6-60.90000110.9D70 L71 L76 Q77 E78D70-T74 PolarHBondContact O-N 3.48Å; D70-T74 VanDerWaalsContact O-N 3.16Å; D70-T74 PolarHBondContact O-OG1 3.25Å; L71-T74 WeakPolarHBondContact O-CB 3.34Å; L71-T74 PolarHBondContact O-N 3.19Å; L71-T74 VanDerWaalsContact O-N 3.17Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 3.27Å; T74-Q77 PolarHBondContact O-N 3.35Å; T74-E78 PolarHBondContact O-N 3.3Å
75C98.4Very high97.1Very high0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-60.5-42.3178.4-60.60000112Y56 M60 L71 Q77 E78 L79Y56-C75 HydrophobicContact CD1-CB 3.79Å; Y56-C75 WeakPolarHBondContact O-CB 3.36Å; M60-C75 HydrophobicContact CB-CB 3.72Å; M60-C75 HydrophobicContact CG-CB 4.25Å; L71-C75 PolarHBondContact O-N 3.44Å; L71-C75 PolarHBondContact O-SG 2.94Å; C75-Q77 VanDerWaalsContact C-N 3.33Å; C75-Q77 PolarHBondContact O-N 2.87Å; C75-E78 PolarHBondContact O-N 3.14Å; C75-L79 WeakPolarHBondContact O-CG 3.43Å; C75-L79 PolarHBondContact O-N 2.64Å
76L98.4Very high97.1Very high5 Ų565.5 Ų65.53%0.02634%0.337CS..Hα-helixtrans-63.8-37.4178.1-179.261000112.3M60 A72 L73 T74 R80 V89 L92M60-L76 HydrophobicContact CE-CB 4.43Å; M60-L76 HydrophobicContact CE-CD2 4.35Å; M60-L76 HydrophobicContact CG-CB 4.43Å; A72-L76 VanDerWaalsContact O-CB 3.24Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.47Å; L73-L76 PolarHBondContact O-N 3.04Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 3.27Å; L76-R80 HydrophobicContact CD1-CG 4.33Å; L76-R80 WeakPolarHBondContact O-CB 3.21Å; L76-R80 VanDerWaalsContact O-CG 3.29Å; L76-R80 WeakPolarHBondContact O-CG 3.44Å; L76-R80 PolarHBondContact O-N 3.19Å; L76-V89 HydrophobicContact CD1-CG1 4.13Å; L76-L92 HydrophobicContact CD1-CB 3.75Å
77Q98.3Very high97Very high92 Ų9266.5 Ų66.543%0.4334%0.338SS..Hα-helixtrans-65.1-44.1177.5-75.4176.13.200111.8L73 T74 C75 R80 K81L73-Q77 HydrophobicContact CD1-CG 4.21Å; L73-Q77 VanDerWaalsContact O-CG 3.29Å; L73-Q77 WeakPolarHBondContact O-CG 3.37Å; L73-Q77 PolarHBondContact O-N 3.46Å; T74-Q77 PolarHBondContact O-N 3.35Å; C75-Q77 VanDerWaalsContact C-N 3.33Å; C75-Q77 PolarHBondContact O-N 2.87Å; Q77-R80 PolarHBondContact O-N 3.28Å; Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.02Å
78E98Very high96.9Very high55 Ų5567.6 Ų67.626%0.25733%0.325SS..Hα-helixtrans-63.4-43.7176.7-65.9-51.8122.400111.6Y56 T74 C75 R80 K81 Q82Y56-E78 HydrophobicContact CD1-CB 4.46Å; Y56-E78 HydrophobicContact CD2-CB 4.48Å; Y56-E78 HydrophobicContact CE1-CB 4.1Å; Y56-E78 HydrophobicContact CE1-CG 4.09Å; Y56-E78 HydrophobicContact CE2-CB 4.12Å; T74-E78 PolarHBondContact O-N 3.3Å; C75-E78 PolarHBondContact O-N 3.14Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.83Å; E78-K81 PolarHBondContact O-N 3.43Å; E78-K81 IonicContact OE1-NZ 2.78Å; E78-K81 PolarHBondContact OE1-NZ 2.79Å; E78-Q82 PolarHBondContact O-N 3.43Å; E78-Q82 VanDerWaalsContact O-N 3.09Å
79L98.3Very high96.9Very high7 Ų764.6 Ų64.64%0.03732%0.315CS..Hα-helixtrans-61.9-39175.4-70.8170.1000112.7W53 E57 C75 Q82 F83 V89 L92W53-L79 HydrophobicContact CB-CD2 4.49Å; E57-L79 HydrophobicContact CB-CD1 4.13Å; C75-L79 WeakPolarHBondContact O-CG 3.43Å; C75-L79 PolarHBondContact O-N 2.64Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-F83 HydrophobicContact CD2-CD2 4.42Å; L79-F83 HydrophobicContact CD2-CE2 4.37Å; L79-F83 PolarHBondContact O-N 3.04Å; L79-V89 HydrophobicContact CB-CG1 4.25Å; L79-V89 HydrophobicContact CB-CG2 4.07Å; L79-L92 HydrophobicContact CD1-CD1 3.6Å
80R97.8Very high96.9Very high143 Ų14364.3 Ų64.354%0.5431%0.311SS..Hα-helixtrans-68.4-37.1176.8-78.317865.5-171.7-0.3113L76 Q77 E78 Q82 P84 V89L76-R80 HydrophobicContact CD1-CG 4.33Å; L76-R80 WeakPolarHBondContact O-CB 3.21Å; L76-R80 VanDerWaalsContact O-CG 3.29Å; L76-R80 WeakPolarHBondContact O-CG 3.44Å; L76-R80 PolarHBondContact O-N 3.19Å; Q77-R80 PolarHBondContact O-N 3.28Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.83Å; R80-Q82 VanDerWaalsContact C-N 3.34Å; R80-P84 WeakPolarHBondContact O-CA 3.33Å; R80-V89 HydrophobicContact CB-CG1 4.22Å; R80-V89 HydrophobicContact CG-CG1 3.32Å
81K97.5Very high96.9Very high142 Ų14262.4 Ų62.462%0.61730%0.297SS*.Hα-helixtrans-63.7-43.7175.8-72.5170.3-172168.80110.7Q77 E78Q77-K81 WeakPolarHBondContact O-CG 3.33Å; Q77-K81 PolarHBondContact O-N 3.02Å; E78-K81 PolarHBondContact O-N 3.43Å; E78-K81 IonicContact OE1-NZ 2.78Å; E78-K81 PolarHBondContact OE1-NZ 2.79Å
82Q97.6Very high96.9Very high97 Ų9761.9 Ų61.945%0.45330%0.295SS..Hα-helixtrans-75.8-36.3-178.2-175.16216.600112.9W53 E78 L79 R80W53-Q82 HydrophobicContact CD2-CG 4.04Å; W53-Q82 HydrophobicContact CE3-CB 4.22Å; W53-Q82 HydrophobicContact CE3-CG 4.15Å; W53-Q82 HydrophobicContact CH2-CB 4.02Å; W53-Q82 HydrophobicContact CH2-CG 3.89Å; W53-Q82 HydrophobicContact CZ2-CB 4.41Å; W53-Q82 HydrophobicContact CZ2-CG 3.77Å; W53-Q82 HydrophobicContact CZ3-CB 3.92Å; W53-Q82 HydrophobicContact CZ3-CG 4.08Å; E78-Q82 PolarHBondContact O-N 3.43Å; E78-Q82 VanDerWaalsContact O-N 3.09Å; L79-Q82 PolarHBondContact O-N 3.48Å; R80-Q82 VanDerWaalsContact C-N 3.34Å
83F97.2Very high96.8Very high78 Ų7863.3 Ų63.334%0.34230%0.303SS..  trans-132.168.3-173.8-48.1-75.4000112.3W53 L79 D85 S86 V89W53-F83 HydrophobicContact CB-CE2 3.95Å; W53-F83 HydrophobicContact CB-CZ 4.2Å; W53-F83 HydrophobicContact CD2-CE2 4Å; W53-F83 HydrophobicContact CD2-CZ 4.23Å; W53-F83 HydrophobicContact CE3-CE2 4.28Å; W53-F83 AromaticContact CG-CE2 3.84Å; W53-F83 HydrophobicContact CG-CE2 3.84Å; W53-F83 AromaticContact CG-CZ 3.85Å; W53-F83 HydrophobicContact CG-CZ 3.85Å; L79-F83 HydrophobicContact CD2-CD2 4.42Å; L79-F83 HydrophobicContact CD2-CE2 4.37Å; L79-F83 PolarHBondContact O-N 3.04Å; F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.42Å; F83-S86 PolarHBondContact O-N 3.22Å; F83-V89 HydrophobicContact CB-CG2 4.04Å
84P94.2Very high96.8Very high88 Ų8860.7 Ų60.757%0.57129%0.29SS*.THydrogen-bonded Turntrans-61.2-34.1-17122.1-33.5000114.5R80R80-P84 WeakPolarHBondContact O-CA 3.33Å
85D92.6Very high96.7Very high133 Ų13358.1 Ų58.171%0.71127%0.273SS*.THydrogen-bonded Turntrans-101.17.3-176.2-61.7-46.5000113.8F83 H87F83-D85 VanDerWaalsContact C-N 3.32Å; F83-D85 PolarHBondContact O-N 3.42Å; D85-H87 PolarHBondContact O-N 3.42Å
86S95.2Very high96.7Very high38 Ų3860.4 Ų60.427%0.26628%0.282SS..  trans-73.8121.4-175.6174.20000112.4F83 R88 V89 K90F83-S86 PolarHBondContact O-N 3.22Å; S86-R88 PolarHBondContact O-N 2.94Å; S86-R88 WeakPolarHBondContact OG-CB 3.31Å; S86-R88 PolarHBondContact OG-N 3.4Å; S86-V89 PolarHBondContact O-N 2.82Å; S86-V89 PolarHBondContact OG-N 3.37Å; S86-K90 WeakPolarHBondContact O-CG 3.42Å; S86-K90 PolarHBondContact O-N 2.88Å
87H93.2Very high96.6Very high61 Ų6161.1 Ų61.128%0.28229%0.286SS..Hα-helixtrans-56.4-31.4170.5-69.3-62.6000112.5D85 K90 R91 E116D85-H87 PolarHBondContact O-N 3.42Å; H87-K90 PolarHBondContact O-N 2.97Å; H87-R91 WeakPolarHBondContact O-CB 3.37Å; H87-R91 PolarHBondContact O-N 2.91Å; H87-E116 IonicContact CE1-OE2 3.85Å; H87-E116 PolarHBondContact CE1-OE2 3.28Å; H87-E116 IonicContact ND1-OE2 2.72Å
88R94.6Very high96.5Very high132 Ų13257.7 Ų57.750%0.49827%0.27SS..Hα-helixtrans-61.8-45.7175.4-168.6174.4-176.2164.6-2.8110.7E57 S86 R91 L92E57-R88 WeakPolarHBondContact OE1-CG 3.32Å; E57-R88 IonicContact OE1-CZ 3.26Å; E57-R88 IonicContact OE1-NE 3.9Å; E57-R88 PolarHBondContact OE1-NE 2.94Å; E57-R88 IonicContact OE1-NH2 3.79Å; E57-R88 IonicContact OE2-CZ 3.3Å; E57-R88 IonicContact OE2-NE 2.75Å; E57-R88 PolarHBondContact OE2-NE 3.33Å; E57-R88 IonicContact OE2-NH2 3.5Å; E57-R88 PolarHBondContact OE2-NH2 3.01Å; S86-R88 PolarHBondContact O-N 2.94Å; S86-R88 WeakPolarHBondContact OG-CB 3.31Å; S86-R88 PolarHBondContact OG-N 3.4Å; R88-R91 WeakPolarHBondContact O-CB 3.48Å; R88-R91 PolarHBondContact O-N 3.36Å; R88-L92 WeakPolarHBondContact O-CG 3.5Å; R88-L92 PolarHBondContact O-N 3.04Å; R88-L92 VanDerWaalsContact O-N 3.15Å
89V97Very high96.3Very high9 Ų957.8 Ų57.86%0.05528%0.28CS..Hα-helixtrans-72.9-37.8178.1-1790000112L76 L79 R80 F83 S86 R91 L92 T93L76-V89 HydrophobicContact CD1-CG1 4.13Å; L79-V89 HydrophobicContact CB-CG1 4.25Å; L79-V89 HydrophobicContact CB-CG2 4.07Å; R80-V89 HydrophobicContact CB-CG1 4.22Å; R80-V89 HydrophobicContact CG-CG1 3.32Å; F83-V89 HydrophobicContact CB-CG2 4.04Å; S86-V89 PolarHBondContact O-N 2.82Å; S86-V89 PolarHBondContact OG-N 3.37Å; V89-R91 VanDerWaalsContact C-N 3.27Å; V89-R91 PolarHBondContact O-N 3.07Å; V89-L92 PolarHBondContact O-N 3.09Å; V89-T93 PolarHBondContact O-N 2.79Å; V89-T93 VanDerWaalsContact O-N 3.09Å; V89-T93 PolarHBondContact O-OG1 3.23Å
90K97Very high96.1Very high44 Ų4460.7 Ų60.719%0.19130%0.295CS..Hα-helixtrans-56.9-43.9170.2-66.2-177.7-175.6-1780110S86 H87 L92 T93 G94 H109 I113 E116S86-K90 WeakPolarHBondContact O-CG 3.42Å; S86-K90 PolarHBondContact O-N 2.88Å; H87-K90 PolarHBondContact O-N 2.97Å; K90-L92 PolarHBondContact O-N 2.98Å; K90-T93 WeakPolarHBondContact O-CB 3.34Å; K90-T93 PolarHBondContact O-N 2.9Å; K90-T93 VanDerWaalsContact O-N 3.16Å; K90-G94 PolarHBondContact O-N 3.23Å; K90-H109 PolarHBondContact O-CD2 3.19Å; K90-H109 PolarHBondContact O-NE2 3.43Å; K90-I113 HydrophobicContact CB-CD1 3.64Å; K90-I113 HydrophobicContact CB-CG1 3.93Å; K90-I113 HydrophobicContact CD-CG1 4.28Å; K90-E116 IonicContact NZ-OE1 2.68Å; K90-E116 PolarHBondContact NZ-OE1 3.45Å; K90-E116 IonicContact NZ-OE2 2.82Å; K90-E116 PolarHBondContact NZ-OE2 3.42Å
91R96.8Very high95.9Very high48 Ų4860.8 Ų60.818%0.18130%0.301CS..Hα-helixtrans-60.1-44176.3-179.9176.857.870.93.6112.5E57 H87 R88 V89 T93 G94 M95 Y110 R126E57-R91 IonicContact OE1-NH2 2.79Å; H87-R91 WeakPolarHBondContact O-CB 3.37Å; H87-R91 PolarHBondContact O-N 2.91Å; R88-R91 WeakPolarHBondContact O-CB 3.48Å; R88-R91 PolarHBondContact O-N 3.36Å; V89-R91 VanDerWaalsContact C-N 3.27Å; V89-R91 PolarHBondContact O-N 3.07Å; R91-T93 VanDerWaalsContact C-N 3.26Å; R91-T93 PolarHBondContact O-N 3.34Å; R91-G94 WeakPolarHBondContact O-CA 3.05Å; R91-G94 PolarHBondContact O-N 2.77Å; R91-G94 VanDerWaalsContact O-N 3.07Å; R91-M95 HydrophobicContact CG-CG 4.47Å; R91-M95 HydrophobicContact CG-SD 4.45Å; R91-M95 PolarHBondContact NH1-SD 3.01Å; R91-M95 WeakPolarHBondContact O-CG 3.47Å; R91-M95 PolarHBondContact O-N 3.38Å; R91-Y110 HydrophobicContact CG-CE1 4.22Å; R91-Y110 PolarHBondContact O-OH 2.88Å; R91-R126 HydrophobicContact CG-CG 4.33Å
92L97.6Very high95.9Very high1 Ų159.1 Ų59.11%0.00529%0.291CS..Hα-helixtrans-60.4-35.2176.2-63.1174.2000112.4E57 M60 I61 L76 L79 R88 V89 K90 G94 M95 R96E57-L92 HydrophobicContact CB-CD1 4.42Å; E57-L92 HydrophobicContact CG-CD1 3.91Å; E57-L92 HydrophobicContact CG-CD2 4.07Å; M60-L92 HydrophobicContact CE-CB 4.05Å; M60-L92 VanDerWaalsContact CE-O 3.29Å; M60-L92 WeakPolarHBondContact CE-O 3.44Å; M60-L92 HydrophobicContact SD-CB 4.08Å; M60-L92 HydrophobicContact SD-CD2 3.86Å; M60-L92 HydrophobicContact SD-CG 4.37Å; I61-L92 HydrophobicContact CD1-CD2 4.23Å; I61-L92 HydrophobicContact CG1-CD2 4.02Å; L76-L92 HydrophobicContact CD1-CB 3.75Å; L79-L92 HydrophobicContact CD1-CD1 3.6Å; R88-L92 WeakPolarHBondContact O-CG 3.5Å; R88-L92 PolarHBondContact O-N 3.04Å; R88-L92 VanDerWaalsContact O-N 3.15Å; V89-L92 PolarHBondContact O-N 3.09Å; K90-L92 PolarHBondContact O-N 2.98Å; L92-G94 VanDerWaalsContact C-N 3.34Å; L92-M95 HydrophobicContact CD2-SD 3.88Å; L92-M95 PolarHBondContact O-N 3.46Å; L92-R96 PolarHBondContact O-N 3.45Å
93T97.6Very high95.7Very high30 Ų3057.1 Ų57.118%0.18428%0.28CS..Hα-helixtrans-61.7-44.2173.1-560000111.2V89 K90 R91 R96 L97V89-T93 PolarHBondContact O-N 2.79Å; V89-T93 VanDerWaalsContact O-N 3.09Å; V89-T93 PolarHBondContact O-OG1 3.23Å; K90-T93 WeakPolarHBondContact O-CB 3.34Å; K90-T93 PolarHBondContact O-N 2.9Å; K90-T93 VanDerWaalsContact O-N 3.16Å; R91-T93 VanDerWaalsContact C-N 3.26Å; R91-T93 PolarHBondContact O-N 3.34Å; T93-R96 PolarHBondContact O-N 2.79Å; T93-L97 PolarHBondContact O-N 3.26Å; T93-L97 VanDerWaalsContact O-N 3.15Å
94G97.3Very high95.6Very high0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-61.5-41.6172.900000112.7K90 R91 L92 R96 L97 E98 Y110K90-G94 PolarHBondContact O-N 3.23Å; R91-G94 WeakPolarHBondContact O-CA 3.05Å; R91-G94 PolarHBondContact O-N 2.77Å; R91-G94 VanDerWaalsContact O-N 3.07Å; L92-G94 VanDerWaalsContact C-N 3.34Å; G94-R96 VanDerWaalsContact C-N 3.29Å; G94-R96 PolarHBondContact O-N 3.44Å; G94-L97 WeakPolarHBondContact O-CA 3.35Å; G94-L97 WeakPolarHBondContact O-CB 3.49Å; G94-L97 PolarHBondContact O-N 3Å; G94-E98 WeakPolarHBondContact O-CG 3.44Å; G94-E98 PolarHBondContact O-N 3.3Å; G94-Y110 VanDerWaalsContact CA-OH 3.32Å; G94-Y110 WeakPolarHBondContact CA-OH 3.29Å
95M97.1Very high95.8Very high18 Ų1858.7 Ų58.79%0.08928%0.284CS..Hα-helixtrans-61.6-38.7179.3-65.3179.75700111.9I61 L64 R91 L92 E98 A99 Y110I61-M95 HydrophobicContact CG1-CE 4.02Å; I61-M95 HydrophobicContact CG2-CE 4.37Å; L64-M95 HydrophobicContact CD1-CB 3.92Å; R91-M95 HydrophobicContact CG-CG 4.47Å; R91-M95 HydrophobicContact CG-SD 4.45Å; R91-M95 PolarHBondContact NH1-SD 3.01Å; R91-M95 WeakPolarHBondContact O-CG 3.47Å; R91-M95 PolarHBondContact O-N 3.38Å; L92-M95 HydrophobicContact CD2-SD 3.88Å; L92-M95 PolarHBondContact O-N 3.46Å; M95-E98 WeakPolarHBondContact O-CB 2.94Å; M95-E98 PolarHBondContact O-N 2.87Å; M95-A99 PolarHBondContact O-N 2.83Å; M95-Y110 PolarHBondContact N-OH 3.37Å
96R97.4Very high96Very high47 Ų4752.4 Ų52.418%0.17725%0.251CS..Hα-helixtrans-65.8-40.6173.5-177176174.5-98.6-4.7111.9M60 L64 D69 L92 T93 G94 E98 A99 L100M60-R96 HydrophobicContact CE-CB 3.96Å; L64-R96 HydrophobicContact CD2-CB 4.16Å; L64-R96 HydrophobicContact CD2-CG 4.12Å; D69-R96 IonicContact OD1-CZ 3.72Å; D69-R96 IonicContact OD1-NE 3.14Å; D69-R96 PolarHBondContact OD1-NE 3.14Å; D69-R96 IonicContact OD1-NH2 3.65Å; D69-R96 PolarHBondContact OD1-NH2 3.22Å; D69-R96 IonicContact OD2-CZ 3.14Å; D69-R96 IonicContact OD2-NE 3.77Å; D69-R96 IonicContact OD2-NH2 2.9Å; D69-R96 PolarHBondContact OD2-NH2 3.49Å; L92-R96 PolarHBondContact O-N 3.45Å; T93-R96 PolarHBondContact O-N 2.79Å; G94-R96 VanDerWaalsContact C-N 3.29Å; G94-R96 PolarHBondContact O-N 3.44Å; R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 PolarHBondContact O-N 2.87Å; R96-A99 PolarHBondContact O-N 2.95Å; R96-L100 HydrophobicContact CG-CD1 4.24Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.29Å; R96-L100 PolarHBondContact O-N 3.17Å
97L97.3Very high96Very high21 Ų2152 Ų5211%0.1125%0.246CC..Hα-helixtrans-61.4-39175-69.6169000111.6T93 G94 L100 E101 R102 E105 A106 H109T93-L97 PolarHBondContact O-N 3.26Å; T93-L97 VanDerWaalsContact O-N 3.15Å; G94-L97 WeakPolarHBondContact O-CA 3.35Å; G94-L97 WeakPolarHBondContact O-CB 3.49Å; G94-L97 PolarHBondContact O-N 3Å; L97-L100 CarbonylContact O-C 3.36Å; L97-L100 PolarHBondContact O-N 3.42Å; L97-E101 PolarHBondContact O-N 3.31Å; L97-R102 HydrophobicContact CB-CB 4.45Å; L97-R102 HydrophobicContact CD2-CB 4.24Å; L97-R102 PolarHBondContact O-N 2.78Å; L97-E105 HydrophobicContact CD1-CB 4.2Å; L97-E105 HydrophobicContact CD2-CB 4.33Å; L97-A106 HydrophobicContact CB-CB 3.82Å; L97-H109 HydrophobicContact CD1-CB 4.29Å
98E95.2Very high96.2Very high20 Ų2056.4 Ų56.49%0.09326%0.264CS..Hα-helixtrans-63.8-44.3174.1-68.5174.4-105.400112.7G94 M95 R96 L100 E101 A106 Y110 R126 I130G94-E98 WeakPolarHBondContact O-CG 3.44Å; G94-E98 PolarHBondContact O-N 3.3Å; M95-E98 WeakPolarHBondContact O-CB 2.94Å; M95-E98 PolarHBondContact O-N 2.87Å; R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 PolarHBondContact O-N 2.87Å; E98-L100 PolarHBondContact O-N 3.36Å; E98-E101 WeakPolarHBondContact O-CA 3.44Å; E98-E101 PolarHBondContact O-N 3.22Å; E98-A106 HydrophobicContact CG-CB 3.84Å; E98-Y110 HydrophobicContact CG-CE2 4.42Å; E98-Y110 VanDerWaalsContact OE1-CE2 3.28Å; E98-Y110 WeakPolarHBondContact OE1-CE2 3.48Å; E98-Y110 PolarHBondContact OE1-OH 3.11Å; E98-R126 IonicContact OE1-CZ 3.52Å; E98-R126 IonicContact OE1-NE 2.72Å; E98-R126 PolarHBondContact OE1-NE 3.04Å; E98-R126 IonicContact OE1-NH2 3.28Å; E98-R126 PolarHBondContact OE1-NH2 3.29Å; E98-R126 IonicContact OE2-CZ 3.6Å; E98-R126 VanDerWaalsContact OE2-CZ 3.29Å; E98-R126 IonicContact OE2-NE 3.54Å; E98-R126 PolarHBondContact OE2-NE 3.15Å; E98-R126 IonicContact OE2-NH2 2.8Å; E98-R126 PolarHBondContact OE2-NH2 3.46Å; E98-I130 HydrophobicContact CG-CD1 3.78Å; E98-I130 HydrophobicContact CG-CG1 3.72Å
99A94.4Very high96.3Very high57 Ų5752.6 Ų52.647%0.47125%0.252SS..Hα-helixtrans-63.3-26.3176.800000112.7L64 M95 R96 E101L64-A99 HydrophobicContact CB-CB 4.36Å; L64-A99 HydrophobicContact CD1-CB 4.48Å; L64-A99 HydrophobicContact CD2-CB 3.89Å; L64-A99 HydrophobicContact CG-CB 4.47Å; M95-A99 PolarHBondContact O-N 2.83Å; R96-A99 PolarHBondContact O-N 2.95Å; A99-E101 VanDerWaalsContact C-N 3.28Å
100L94.4Very high96.3Very high67 Ų6752.1 Ų52.135%0.35125%0.249SC..THydrogen-bonded Turntrans-87.67.8172.9-63.6173.3000113.1R96 L97 E98 R102R96-L100 HydrophobicContact CG-CD1 4.24Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.29Å; R96-L100 PolarHBondContact O-N 3.17Å; L97-L100 CarbonylContact O-C 3.36Å; L97-L100 PolarHBondContact O-N 3.42Å; E98-L100 PolarHBondContact O-N 3.36Å; L100-R102 HydrophobicContact CB-CG 4.22Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-R102 VanDerWaalsContact O-N 3.09Å
101E93.6Very high96.3Very high145 Ų14552.9 Ų52.968%0.67826%0.255SS*.THydrogen-bonded Turntrans58.118.8-176.6-55.6-176.7173.900114.4L97 E98 A99 Y103L97-E101 PolarHBondContact O-N 3.31Å; E98-E101 WeakPolarHBondContact O-CA 3.44Å; E98-E101 PolarHBondContact O-N 3.22Å; A99-E101 VanDerWaalsContact C-N 3.28Å; E101-Y103 HydrophobicContact CB-CE2 4.02Å; E101-Y103 HydrophobicContact CG-CE2 4.48Å; E101-Y103 WeakPolarHBondContact O-CD2 3.44Å; E101-Y103 PolarHBondContact O-N 2.59Å
102R95.9Very high96.3Very high108 Ų10852.5 Ų52.541%0.40826%0.262SS..  trans-85.357.8177.9-66.4169.868.4179.72.4110.6L97 L100 D104 E105 A106L97-R102 HydrophobicContact CB-CB 4.45Å; L97-R102 HydrophobicContact CD2-CB 4.24Å; L97-R102 PolarHBondContact O-N 2.78Å; L100-R102 HydrophobicContact CB-CG 4.22Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-R102 VanDerWaalsContact O-N 3.09Å; R102-D104 PolarHBondContact O-N 2.8Å; R102-E105 HydrophobicContact CB-CB 4.43Å; R102-E105 IonicContact CZ-OE1 3.55Å; R102-E105 IonicContact CZ-OE2 2.74Å; R102-E105 IonicContact NE-OE1 3.87Å; R102-E105 PolarHBondContact NE-OE1 3.15Å; R102-E105 IonicContact NE-OE2 3.24Å; R102-E105 IonicContact NH2-OE1 3.34Å; R102-E105 PolarHBondContact NH2-OE1 2.91Å; R102-E105 IonicContact NH2-OE2 3.36Å; R102-E105 PolarHBondContact NH2-OE2 2.89Å; R102-E105 PolarHBondContact O-N 2.98Å; R102-A106 PolarHBondContact O-N 3.39Å
103Y95.3Very high96.2Very high54 Ų5452.5 Ų52.521%0.21226%0.262CS..Hα-helixtrans-61.4-36.5-169.6-60.9-56.2000114.5E101 E105 A106 N107 I130 A133 Q134E101-Y103 HydrophobicContact CB-CE2 4.02Å; E101-Y103 HydrophobicContact CG-CE2 4.48Å; E101-Y103 WeakPolarHBondContact O-CD2 3.44Å; E101-Y103 PolarHBondContact O-N 2.59Å; Y103-E105 VanDerWaalsContact C-N 3.31Å; Y103-E105 PolarHBondContact O-N 2.98Å; Y103-A106 PolarHBondContact O-N 3.11Å; Y103-N107 WeakPolarHBondContact O-CB 3.38Å; Y103-N107 PolarHBondContact O-N 2.9Å; Y103-N107 PolarHBondContact O-ND2 3.2Å; Y103-N107 VanDerWaalsContact O-ND2 3.16Å; Y103-I130 HydrophobicContact CD1-CG1 4.23Å; Y103-I130 HydrophobicContact CD1-CG2 3.81Å; Y103-I130 HydrophobicContact CG-CG2 4.04Å; Y103-A133 HydrophobicContact CE1-CB 4.39Å; Y103-Q134 HydrophobicContact CD2-CG 4.08Å; Y103-Q134 HydrophobicContact CE2-CG 4.41Å; Y103-Q134 HydrophobicContact CG-CG 4.37Å
104D94.5Very high96Very high115 Ų11552.4 Ų52.462%0.61526%0.26SS*.Hα-helixtrans-66.5-36.8178.8-69.1-23.5000111.9R102 K108R102-D104 PolarHBondContact O-N 2.8Å; D104-K108 WeakPolarHBondContact O-CG 3.4Å; D104-K108 PolarHBondContact O-N 3.29Å; D104-K108 VanDerWaalsContact O-N 3.09Å
105E97.1Very high96Very high85 Ų8560.1 Ų60.140%0.39730%0.296SS..Hα-helixtrans-73.9-40.2176.4-64-176.4-104.300111.1L97 R102 Y103 N107 K108 H109L97-E105 HydrophobicContact CD1-CB 4.2Å; L97-E105 HydrophobicContact CD2-CB 4.33Å; R102-E105 HydrophobicContact CB-CB 4.43Å; R102-E105 IonicContact CZ-OE1 3.55Å; R102-E105 IonicContact CZ-OE2 2.74Å; R102-E105 IonicContact NE-OE1 3.87Å; R102-E105 PolarHBondContact NE-OE1 3.15Å; R102-E105 IonicContact NE-OE2 3.24Å; R102-E105 IonicContact NH2-OE1 3.34Å; R102-E105 PolarHBondContact NH2-OE1 2.91Å; R102-E105 IonicContact NH2-OE2 3.36Å; R102-E105 PolarHBondContact NH2-OE2 2.89Å; R102-E105 PolarHBondContact O-N 2.98Å; Y103-E105 VanDerWaalsContact C-N 3.31Å; Y103-E105 PolarHBondContact O-N 2.98Å; E105-N107 VanDerWaalsContact C-N 3.33Å; E105-N107 PolarHBondContact O-N 3.19Å; E105-K108 PolarHBondContact O-N 3.39Å; E105-H109 VanDerWaalsContact O-CB 3.27Å; E105-H109 WeakPolarHBondContact O-CB 3.45Å; E105-H109 PolarHBondContact O-N 3.06Å
106A97.4Very high95.9Very high0 Ų064.6 Ų64.60%032%0.317CS..Hα-helixtrans-58.5-45.3172.600000111.2L97 E98 R102 Y103 H109 Y110 I130L97-A106 HydrophobicContact CB-CB 3.82Å; E98-A106 HydrophobicContact CG-CB 3.84Å; R102-A106 PolarHBondContact O-N 3.39Å; Y103-A106 PolarHBondContact O-N 3.11Å; A106-H109 WeakPolarHBondContact O-CB 3.45Å; A106-H109 PolarHBondContact O-N 3.43Å; A106-Y110 HydrophobicContact CB-CD2 4.47Å; A106-Y110 HydrophobicContact CB-CE2 4.23Å; A106-Y110 WeakPolarHBondContact O-CD2 3.39Å; A106-Y110 PolarHBondContact O-N 3.38Å; A106-I130 HydrophobicContact CB-CD1 3.72Å
107N95.6Very high95.6Very high30 Ų3064.2 Ų64.216%0.1632%0.318CS..Hα-helixtrans-61.3-49.5177.2-83.3-44000112.4Y103 E105 H109 Y110 D111Y103-N107 WeakPolarHBondContact O-CB 3.38Å; Y103-N107 PolarHBondContact O-N 2.9Å; Y103-N107 PolarHBondContact O-ND2 3.2Å; Y103-N107 VanDerWaalsContact O-ND2 3.16Å; E105-N107 VanDerWaalsContact C-N 3.33Å; E105-N107 PolarHBondContact O-N 3.19Å; N107-H109 PolarHBondContact O-N 3.18Å; N107-Y110 PolarHBondContact O-N 3.4Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; N107-D111 WeakPolarHBondContact O-CB 3.39Å; N107-D111 VanDerWaalsContact O-CG 3.3Å; N107-D111 PolarHBondContact O-N 3.27Å
108K96.8Very high95.3Very high154 Ų15467 Ų6767%0.6734%0.338SS*.Hα-helixtrans-57.7-38.7175.5-73.4173.4-176.4173.60111.9D104 E105 D111 A112D104-K108 WeakPolarHBondContact O-CG 3.4Å; D104-K108 PolarHBondContact O-N 3.29Å; D104-K108 VanDerWaalsContact O-N 3.09Å; E105-K108 PolarHBondContact O-N 3.39Å; K108-D111 PolarHBondContact O-N 3.15Å; K108-A112 PolarHBondContact O-N 3.26Å; K108-A112 VanDerWaalsContact O-N 3.1Å
109H97.3Very high95Very high51 Ų5170.7 Ų70.724%0.23636%0.362CS..Hα-helixtrans-67.7-42178-171.776.1000112.1K90 L97 E105 A106 N107 A112 I113K90-H109 PolarHBondContact O-CD2 3.19Å; K90-H109 PolarHBondContact O-NE2 3.43Å; L97-H109 HydrophobicContact CD1-CB 4.29Å; E105-H109 VanDerWaalsContact O-CB 3.27Å; E105-H109 WeakPolarHBondContact O-CB 3.45Å; E105-H109 PolarHBondContact O-N 3.06Å; A106-H109 WeakPolarHBondContact O-CB 3.45Å; A106-H109 PolarHBondContact O-N 3.43Å; N107-H109 PolarHBondContact O-N 3.18Å; H109-A112 PolarHBondContact O-N 3.1Å; H109-I113 PolarHBondContact O-N 3.5Å
110Y97.6Very high94.8Very high0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-68.3-35.4174.1-70.6-51.6000113R91 G94 M95 E98 A106 N107 A112 I113 L114 A123 R126 K127 I130R91-Y110 HydrophobicContact CG-CE1 4.22Å; R91-Y110 PolarHBondContact O-OH 2.88Å; G94-Y110 VanDerWaalsContact CA-OH 3.32Å; G94-Y110 WeakPolarHBondContact CA-OH 3.29Å; M95-Y110 PolarHBondContact N-OH 3.37Å; E98-Y110 HydrophobicContact CG-CE2 4.42Å; E98-Y110 VanDerWaalsContact OE1-CE2 3.28Å; E98-Y110 WeakPolarHBondContact OE1-CE2 3.48Å; E98-Y110 PolarHBondContact OE1-OH 3.11Å; A106-Y110 HydrophobicContact CB-CD2 4.47Å; A106-Y110 HydrophobicContact CB-CE2 4.23Å; A106-Y110 WeakPolarHBondContact O-CD2 3.39Å; A106-Y110 PolarHBondContact O-N 3.38Å; N107-Y110 PolarHBondContact O-N 3.4Å; N107-Y110 VanDerWaalsContact O-N 3.17Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3.48Å; Y110-I113 HydrophobicContact CD1-CD1 4Å; Y110-I113 HydrophobicContact CE1-CD1 4.39Å; Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 2.94Å; Y110-L114 WeakPolarHBondContact O-CG 3.35Å; Y110-L114 PolarHBondContact O-N 2.98Å; Y110-A123 HydrophobicContact CD1-CB 4.04Å; Y110-R126 HydrophobicContact CD1-CB 4.32Å; Y110-R126 HydrophobicContact CD2-CB 4.07Å; Y110-R126 HydrophobicContact CE1-CB 3.84Å; Y110-R126 HydrophobicContact CE1-CG 4.06Å; Y110-R126 HydrophobicContact CE2-CB 3.53Å; Y110-R126 HydrophobicContact CE2-CG 4.37Å; Y110-R126 HydrophobicContact CG-CB 4.46Å; Y110-R126 VanDerWaalsContact CZ-CB 3.41Å; Y110-K127 HydrophobicContact CD2-CG 4.17Å; Y110-K127 HydrophobicContact CG-CG 4.14Å; Y110-I130 HydrophobicContact CD2-CD1 3.93Å; Y110-I130 HydrophobicContact CE2-CD1 3.91Å
111D95.9Very high94.7Very high59 Ų5968.2 Ų68.232%0.31634%0.343SS..Hα-helixtrans-61.7-40.6173.5-73.3-30.6000111.5N107 K108 I113 L114 Q115 K127N107-D111 WeakPolarHBondContact O-CB 3.39Å; N107-D111 VanDerWaalsContact O-CG 3.3Å; N107-D111 PolarHBondContact O-N 3.27Å; K108-D111 PolarHBondContact O-N 3.15Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 3.14Å; D111-L114 PolarHBondContact O-N 3.24Å; D111-Q115 VanDerWaalsContact O-CG 3.3Å; D111-Q115 WeakPolarHBondContact O-CG 3.39Å; D111-Q115 PolarHBondContact O-N 3.29Å; D111-K127 WeakPolarHBondContact OD1-CE 3.48Å; D111-K127 IonicContact OD1-NZ 3.17Å; D111-K127 PolarHBondContact OD1-NZ 3.15Å
112A96.6Very high94.7Very high40 Ų4063 Ų6333%0.33133%0.325SS..Hα-helixtrans-61.8-40.6173.900000112.1K108 H109 Y110 L114 Q115 E116K108-A112 PolarHBondContact O-N 3.26Å; K108-A112 VanDerWaalsContact O-N 3.1Å; H109-A112 PolarHBondContact O-N 3.1Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3.48Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-Q115 PolarHBondContact O-N 2.99Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 3.31Å
113I96.4Very high94.6Very high2 Ų257.9 Ų57.91%0.0131%0.305CS..Hα-helixtrans-61.7-43.7174.3-64.3171.6000110.7K90 H109 Y110 D111 Q115 E116 D117 N120 A123K90-I113 HydrophobicContact CB-CD1 3.64Å; K90-I113 HydrophobicContact CB-CG1 3.93Å; K90-I113 HydrophobicContact CD-CG1 4.28Å; H109-I113 PolarHBondContact O-N 3.5Å; Y110-I113 HydrophobicContact CD1-CD1 4Å; Y110-I113 HydrophobicContact CE1-CD1 4.39Å; Y110-I113 WeakPolarHBondContact O-CB 3.47Å; Y110-I113 PolarHBondContact O-N 2.94Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 3.14Å; I113-Q115 VanDerWaalsContact C-N 3.35Å; I113-E116 PolarHBondContact O-N 2.72Å; I113-D117 PolarHBondContact O-N 3.11Å; I113-N120 HydrophobicContact CG2-CB 4.23Å; I113-A123 HydrophobicContact CB-CB 4.2Å; I113-A123 HydrophobicContact CG2-CB 3.73Å
114L94.1Very high94.5Very high28 Ų2857.1 Ų57.115%0.14730%0.302CS..Hα-helixtrans-74-23.3-178.6-68.9168.4000113.5Y110 D111 A112 D117 P118 N120 A123 R124 K127Y110-L114 WeakPolarHBondContact O-CG 3.35Å; Y110-L114 PolarHBondContact O-N 2.98Å; D111-L114 PolarHBondContact O-N 3.24Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; L114-D117 CarbonylContact O-C 3.55Å; L114-P118 VanDerWaalsContact O-CA 3.23Å; L114-P118 WeakPolarHBondContact O-CA 3.41Å; L114-P118 WeakPolarHBondContact O-CG 3.44Å; L114-P118 VanDerWaalsContact O-N 3.13Å; L114-N120 HydrophobicContact CD2-CB 4.12Å; L114-A123 HydrophobicContact CD2-CB 4.1Å; L114-A123 HydrophobicContact CG-CB 4.11Å; L114-R124 HydrophobicContact CD2-CB 4.33Å; L114-K127 HydrophobicContact CD1-CD 3.74Å
115Q95.8Very high94.5Very high162 Ų16253.1 Ų53.176%0.75728%0.279SS*.Hα-helixtrans-69.8-37.2170-77.1175.32.800111.8D111 A112 I113D111-Q115 VanDerWaalsContact O-CG 3.3Å; D111-Q115 WeakPolarHBondContact O-CG 3.39Å; D111-Q115 PolarHBondContact O-N 3.29Å; A112-Q115 PolarHBondContact O-N 2.99Å; I113-Q115 VanDerWaalsContact C-N 3.35Å
116E94.8Very high94.4Very high111 Ų11152 Ų5252%0.51927%0.272SS..Hα-helixtrans-75.2-43.7175.4-66.9173.5-168.200111.7H87 K90 A112 I113H87-E116 IonicContact CE1-OE2 3.85Å; H87-E116 PolarHBondContact CE1-OE2 3.28Å; H87-E116 IonicContact ND1-OE2 2.72Å; K90-E116 IonicContact NZ-OE1 2.68Å; K90-E116 PolarHBondContact NZ-OE1 3.45Å; K90-E116 IonicContact NZ-OE2 2.82Å; K90-E116 PolarHBondContact NZ-OE2 3.42Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 3.31Å; I113-E116 PolarHBondContact O-N 2.72Å
117D92.4Very high94.3Very high39 Ų3954.2 Ų54.221%0.20928%0.281CS..  trans-134.592179.6173.716.5000110.9I113 L114 T119 N120I113-D117 PolarHBondContact O-N 3.11Å; L114-D117 CarbonylContact O-C 3.55Å; D117-T119 PolarHBondContact O-N 3.1Å; D117-T119 VanDerWaalsContact O-N 3.09Å; D117-T119 WeakPolarHBondContact OD1-CA 3.24Å; D117-T119 PolarHBondContact OD1-N 3.01Å; D117-T119 PolarHBondContact OD1-OG1 3.37Å; D117-N120 HydrophobicContact CB-CB 4.23Å; D117-N120 VanDerWaalsContact O-CB 3.29Å; D117-N120 WeakPolarHBondContact O-CB 3.44Å; D117-N120 PolarHBondContact O-N 3.09Å; D117-N120 VanDerWaalsContact O-N 3.1Å; D117-N120 PolarHBondContact OD1-N 2.65Å; D117-N120 WeakPolarHBondContact OD2-CB 3.26Å; D117-N120 PolarHBondContact OD2-ND2 2.95Å; D117-N120 VanDerWaalsContact OD2-ND2 3.14Å
118P89.8Confident94.2Very high81 Ų8152.9 Ų52.953%0.52627%0.274SS..THydrogen-bonded Turntrans-62-17.7178.8-25.335000114.5L114 R124L114-P118 VanDerWaalsContact O-CA 3.23Å; L114-P118 WeakPolarHBondContact O-CA 3.41Å; L114-P118 WeakPolarHBondContact O-CG 3.44Å; L114-P118 VanDerWaalsContact O-N 3.13Å; P118-R124 PolarHBondContact O-NH2 3.37Å; P118-R124 VanDerWaalsContact O-NH2 3.11Å
119T89.3Confident93.9Very high96 Ų9647.2 Ų47.259%0.58925%0.254SS*.THydrogen-bonded Turntrans-92.54.1-179.564.90000113.1D117 T121D117-T119 PolarHBondContact O-N 3.1Å; D117-T119 VanDerWaalsContact O-N 3.09Å; D117-T119 WeakPolarHBondContact OD1-CA 3.24Å; D117-T119 PolarHBondContact OD1-N 3.01Å; D117-T119 PolarHBondContact OD1-OG1 3.37Å; T119-T121 PolarHBondContact O-N 2.88Å
120N91.5Very high93.8Very high22 Ų2244.8 Ų44.812%0.11824%0.242CC..  trans-69.787.2179.4-155.2-71.2000112.1I113 L114 D117 A122 A123 R124I113-N120 HydrophobicContact CG2-CB 4.23Å; L114-N120 HydrophobicContact CD2-CB 4.12Å; D117-N120 HydrophobicContact CB-CB 4.23Å; D117-N120 VanDerWaalsContact O-CB 3.29Å; D117-N120 WeakPolarHBondContact O-CB 3.44Å; D117-N120 PolarHBondContact O-N 3.09Å; D117-N120 VanDerWaalsContact O-N 3.1Å; D117-N120 PolarHBondContact OD1-N 2.65Å; D117-N120 WeakPolarHBondContact OD2-CB 3.26Å; D117-N120 PolarHBondContact OD2-ND2 2.95Å; D117-N120 VanDerWaalsContact OD2-ND2 3.14Å; N120-A122 VanDerWaalsContact C-N 3.25Å; N120-A122 PolarHBondContact O-N 3.27Å; N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 3.02Å; N120-A123 WeakPolarHBondContact OD1-CB 3.36Å; N120-A123 PolarHBondContact OD1-N 2.99Å; N120-R124 PolarHBondContact O-N 3.49Å; N120-R124 VanDerWaalsContact O-N 3.15Å
121T92.1Very high93.6Very high50 Ų5046 Ų4631%0.30725%0.249SC..Hα-helixtrans-59-38.3-179.6590000111.9T119 A123 R124 K125 Y147 F151T119-T121 PolarHBondContact O-N 2.88Å; T121-A123 PolarHBondContact O-N 3.29Å; T121-R124 PolarHBondContact O-N 2.88Å; T121-K125 WeakPolarHBondContact O-CG 3.48Å; T121-K125 PolarHBondContact O-N 3.18Å; T121-Y147 WeakPolarHBondContact CB-OH 3.48Å; T121-Y147 HydrophobicContact CG2-CE2 3.9Å; T121-F151 HydrophobicContact CG2-CD1 3.71Å; T121-F151 HydrophobicContact CG2-CD2 4.21Å; T121-F151 HydrophobicContact CG2-CE1 3.46Å; T121-F151 VanDerWaalsContact CG2-CE1 3.46Å; T121-F151 HydrophobicContact CG2-CE2 4Å; T121-F151 HydrophobicContact CG2-CG 4.07Å; T121-F151 HydrophobicContact CG2-CZ 3.61Å
122A92.3Very high93.3Very high36 Ų3647.2 Ų47.230%0.29825%0.249SC..Hα-helixtrans-62.2-44.6179.800000112.3N120 R126N120-A122 VanDerWaalsContact C-N 3.25Å; N120-A122 PolarHBondContact O-N 3.27Å; A122-R126 WeakPolarHBondContact O-CG 3.37Å; A122-R126 PolarHBondContact O-N 3.08Å
123A94Very high92.9Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-65.4-40.9175.300000111.9Y110 I113 L114 N120 T121 R126 K127Y110-A123 HydrophobicContact CD1-CB 4.04Å; I113-A123 HydrophobicContact CB-CB 4.2Å; I113-A123 HydrophobicContact CG2-CB 3.73Å; L114-A123 HydrophobicContact CD2-CB 4.1Å; L114-A123 HydrophobicContact CG-CB 4.11Å; N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 3.02Å; N120-A123 WeakPolarHBondContact OD1-CB 3.36Å; N120-A123 PolarHBondContact OD1-N 2.99Å; T121-A123 PolarHBondContact O-N 3.29Å; A123-R126 PolarHBondContact O-N 3.38Å; A123-K127 PolarHBondContact O-N 2.75Å
124R93.9Very high92.6Very high38 Ų3851 Ų5114%0.14327%0.271CS..Hα-helixtrans-63.4-43.2178-159.7-177.2-66.9-170.36.2112.1L114 P118 N120 T121 R126 K127 I128 Q150L114-R124 HydrophobicContact CD2-CB 4.33Å; P118-R124 PolarHBondContact O-NH2 3.37Å; P118-R124 VanDerWaalsContact O-NH2 3.11Å; N120-R124 PolarHBondContact O-N 3.49Å; N120-R124 VanDerWaalsContact O-N 3.15Å; T121-R124 PolarHBondContact O-N 2.88Å; R124-R126 VanDerWaalsContact C-N 3.32Å; R124-R126 PolarHBondContact O-N 2.89Å; R124-K127 WeakPolarHBondContact O-CB 3.41Å; R124-K127 PolarHBondContact O-N 2.98Å; R124-I128 PolarHBondContact O-N 3.24Å; R124-I128 VanDerWaalsContact O-N 3.11Å; R124-Q150 VanDerWaalsContact NH1-OE1 3.1Å
125K93.4Very high92.4Very high31 Ų3152.5 Ų52.514%0.13529%0.293CS..Hα-helixtrans-62-35.7175.5-71.1-17975.3157.50112.9T121 I128 S129 D154 E156T121-K125 WeakPolarHBondContact O-CG 3.48Å; T121-K125 PolarHBondContact O-N 3.18Å; K125-I128 PolarHBondContact O-N 3.4Å; K125-S129 PolarHBondContact O-N 3.45Å; K125-S129 PolarHBondContact O-OG 3.31Å; K125-D154 IonicContact NZ-OD1 3.31Å; K125-D154 PolarHBondContact NZ-OD1 3.08Å; K125-D154 IonicContact NZ-OD2 3.99Å; K125-D154 PolarHBondContact NZ-OD2 3.02Å; K125-E156 VanDerWaalsContact NZ-CD 3.26Å; K125-E156 IonicContact NZ-OE2 4Å; K125-E156 PolarHBondContact NZ-OE2 2.8Å
126R95.3Very high92.4Very high63 Ų6349 Ų4924%0.23828%0.275CS..Hα-helixtrans-65-41.7173.6-65.3-58.6-67.2-173.2-3.5112.2R91 E98 Y110 A122 A123 R124 I128 S129 I130R91-R126 HydrophobicContact CG-CG 4.33Å; E98-R126 IonicContact OE1-CZ 3.52Å; E98-R126 IonicContact OE1-NE 2.72Å; E98-R126 PolarHBondContact OE1-NE 3.04Å; E98-R126 IonicContact OE1-NH2 3.28Å; E98-R126 PolarHBondContact OE1-NH2 3.29Å; E98-R126 IonicContact OE2-CZ 3.6Å; E98-R126 VanDerWaalsContact OE2-CZ 3.29Å; E98-R126 IonicContact OE2-NE 3.54Å; E98-R126 PolarHBondContact OE2-NE 3.15Å; E98-R126 IonicContact OE2-NH2 2.8Å; E98-R126 PolarHBondContact OE2-NH2 3.46Å; Y110-R126 HydrophobicContact CD1-CB 4.32Å; Y110-R126 HydrophobicContact CD2-CB 4.07Å; Y110-R126 HydrophobicContact CE1-CB 3.84Å; Y110-R126 HydrophobicContact CE1-CG 4.06Å; Y110-R126 HydrophobicContact CE2-CB 3.53Å; Y110-R126 HydrophobicContact CE2-CG 4.37Å; Y110-R126 HydrophobicContact CG-CB 4.46Å; Y110-R126 VanDerWaalsContact CZ-CB 3.41Å; A122-R126 WeakPolarHBondContact O-CG 3.37Å; A122-R126 PolarHBondContact O-N 3.08Å; A123-R126 PolarHBondContact O-N 3.38Å; R124-R126 VanDerWaalsContact C-N 3.32Å; R124-R126 PolarHBondContact O-N 2.89Å; R126-I128 VanDerWaalsContact C-N 3.34Å; R126-I128 PolarHBondContact O-N 3.42Å; R126-S129 WeakPolarHBondContact O-CB 3.43Å; R126-S129 PolarHBondContact O-N 3.38Å; R126-S129 VanDerWaalsContact O-N 3.15Å; R126-I130 WeakPolarHBondContact O-CG1 3.39Å; R126-I130 PolarHBondContact O-N 2.95Å
127K95.4Very high92.4Very high46 Ų4645 Ų4520%0.226%0.259CS..Hα-helixtrans-59.8-43173.6-69.4-172.767.9-169.80112.6Y110 D111 L114 A123 R124 S129 I130 L131Y110-K127 HydrophobicContact CD2-CG 4.17Å; Y110-K127 HydrophobicContact CG-CG 4.14Å; D111-K127 WeakPolarHBondContact OD1-CE 3.48Å; D111-K127 IonicContact OD1-NZ 3.17Å; D111-K127 PolarHBondContact OD1-NZ 3.15Å; L114-K127 HydrophobicContact CD1-CD 3.74Å; A123-K127 PolarHBondContact O-N 2.75Å; R124-K127 WeakPolarHBondContact O-CB 3.41Å; R124-K127 PolarHBondContact O-N 2.98Å; K127-S129 VanDerWaalsContact C-N 3.33Å; K127-S129 PolarHBondContact O-N 3.18Å; K127-I130 WeakPolarHBondContact O-CB 3.47Å; K127-I130 PolarHBondContact O-N 3.22Å; K127-L131 PolarHBondContact O-N 3.12Å; K127-L131 VanDerWaalsContact O-N 3.14Å
128I93.7Very high92.5Very high2 Ų247.9 Ų47.91%0.0128%0.278CS..Hα-helixtrans-60.9-43.9174.4-68.7161.5000110.4R124 K125 R126 I130 L131 R132 E143 L144R124-I128 PolarHBondContact O-N 3.24Å; R124-I128 VanDerWaalsContact O-N 3.11Å; K125-I128 PolarHBondContact O-N 3.4Å; R126-I128 VanDerWaalsContact C-N 3.34Å; R126-I128 PolarHBondContact O-N 3.42Å; I128-I130 VanDerWaalsContact C-N 3.29Å; I128-I130 PolarHBondContact O-N 2.85Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-L131 VanDerWaalsContact O-N 3.14Å; I128-R132 WeakPolarHBondContact O-CG 3.34Å; I128-R132 PolarHBondContact O-N 3.48Å; I128-E143 HydrophobicContact CD1-CB 4.43Å; I128-E143 HydrophobicContact CG1-CB 3.89Å; I128-L144 HydrophobicContact CD1-CD2 3.92Å; I128-L144 HydrophobicContact CD1-CG 3.98Å; I128-L144 HydrophobicContact CG1-CG 4.46Å; I128-L144 HydrophobicContact CG2-CD1 3.79Å; I128-L144 HydrophobicContact CG2-CD2 4.1Å; I128-L144 HydrophobicContact CG2-CG 3.66Å
129S91.6Very high92.8Very high34 Ų3448.2 Ų48.224%0.23827%0.273CS..Hα-helixtrans-59.5-38.4176.4-590000112.4K125 R126 K127 R132 A133K125-S129 PolarHBondContact O-N 3.45Å; K125-S129 PolarHBondContact O-OG 3.31Å; R126-S129 WeakPolarHBondContact O-CB 3.43Å; R126-S129 PolarHBondContact O-N 3.38Å; R126-S129 VanDerWaalsContact O-N 3.15Å; K127-S129 VanDerWaalsContact C-N 3.33Å; K127-S129 PolarHBondContact O-N 3.18Å; S129-R132 WeakPolarHBondContact O-CB 3.45Å; S129-R132 PolarHBondContact O-N 3.43Å; S129-A133 PolarHBondContact O-N 3.38Å
130I93.8Very high93.1Very high0 Ų043.6 Ų43.60%025%0.245CC..Hα-helixtrans-62.3-45.8174.5-68.8167.4000111E98 Y103 A106 Y110 R126 K127 I128 R132 A133 Q134E98-I130 HydrophobicContact CG-CD1 3.78Å; E98-I130 HydrophobicContact CG-CG1 3.72Å; Y103-I130 HydrophobicContact CD1-CG1 4.23Å; Y103-I130 HydrophobicContact CD1-CG2 3.81Å; Y103-I130 HydrophobicContact CG-CG2 4.04Å; A106-I130 HydrophobicContact CB-CD1 3.72Å; Y110-I130 HydrophobicContact CD2-CD1 3.93Å; Y110-I130 HydrophobicContact CE2-CD1 3.91Å; R126-I130 WeakPolarHBondContact O-CG1 3.39Å; R126-I130 PolarHBondContact O-N 2.95Å; K127-I130 WeakPolarHBondContact O-CB 3.47Å; K127-I130 PolarHBondContact O-N 3.22Å; I128-I130 VanDerWaalsContact C-N 3.29Å; I128-I130 PolarHBondContact O-N 2.85Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 3.08Å; I130-A133 PolarHBondContact O-N 3.07Å; I130-Q134 HydrophobicContact CG2-CG 4.41Å; I130-Q134 WeakPolarHBondContact O-CG 3.34Å; I130-Q134 PolarHBondContact O-N 2.75Å
131L93.6Very high93.4Very high27 Ų2743.6 Ų43.614%0.14124%0.244CC..Hα-helixtrans-58.6-42177.2-66.8170.6000111.1K127 I128 Q134 G135 K136 E139 A140 E143K127-L131 PolarHBondContact O-N 3.12Å; K127-L131 VanDerWaalsContact O-N 3.14Å; I128-L131 WeakPolarHBondContact O-CB 3.43Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-L131 VanDerWaalsContact O-N 3.14Å; L131-Q134 PolarHBondContact O-N 3Å; L131-G135 PolarHBondContact O-N 3.43Å; L131-K136 HydrophobicContact CB-CB 4.29Å; L131-K136 HydrophobicContact CD2-CB 4.19Å; L131-K136 HydrophobicContact CD2-CD 3.93Å; L131-K136 WeakPolarHBondContact O-CB 3.44Å; L131-K136 PolarHBondContact O-N 3.06Å; L131-E139 HydrophobicContact CD1-CB 4.12Å; L131-E139 HydrophobicContact CD2-CB 4.14Å; L131-A140 HydrophobicContact CB-CB 3.91Å; L131-E143 HydrophobicContact CD1-CB 4.42Å; L131-E143 HydrophobicContact CD1-CG 3.84Å
132R89.8Confident93.7Very high83 Ų8346.7 Ų46.731%0.31325%0.25SS..Hα-helixtrans-61.6-47.4175.1-64.6178.464.2-161.41.5112.1I128 S129 I130 Q134 G135 A140 E160 E163 L164I128-R132 WeakPolarHBondContact O-CG 3.34Å; I128-R132 PolarHBondContact O-N 3.48Å; S129-R132 WeakPolarHBondContact O-CB 3.45Å; S129-R132 PolarHBondContact O-N 3.43Å; I130-R132 VanDerWaalsContact C-N 3.26Å; I130-R132 PolarHBondContact O-N 3.08Å; R132-Q134 PolarHBondContact O-N 3.47Å; R132-G135 PolarHBondContact O-N 2.57Å; R132-A140 HydrophobicContact CG-CB 3.96Å; R132-E160 IonicContact CZ-OE2 3.59Å; R132-E160 IonicContact NH1-OE2 2.97Å; R132-E160 PolarHBondContact NH1-OE2 3.42Å; R132-E163 IonicContact NH2-OE2 3.92Å; R132-L164 HydrophobicContact CG-CD1 4.38Å; R132-L164 HydrophobicContact CG-CD2 4.17Å
133A88.2Confident93.9Very high65 Ų6547 Ų4754%0.53725%0.246SC..Hα-helixtrans-61.1-31178.100000112.6Y103 S129 I130 G135Y103-A133 HydrophobicContact CE1-CB 4.39Å; S129-A133 PolarHBondContact O-N 3.38Å; I130-A133 PolarHBondContact O-N 3.07Å; A133-G135 VanDerWaalsContact C-N 3.28Å; A133-G135 PolarHBondContact O-N 2.84Å
134Q90.3Very high94Very high58 Ų5847 Ų4727%0.27125%0.246SC..THydrogen-bonded Turntrans-81.5-0.2175.7-68-176.6-20.800114.1Y103 I130 L131 R132 K136Y103-Q134 HydrophobicContact CD2-CG 4.08Å; Y103-Q134 HydrophobicContact CE2-CG 4.41Å; Y103-Q134 HydrophobicContact CG-CG 4.37Å; I130-Q134 HydrophobicContact CG2-CG 4.41Å; I130-Q134 WeakPolarHBondContact O-CG 3.34Å; I130-Q134 PolarHBondContact O-N 2.75Å; L131-Q134 PolarHBondContact O-N 3Å; R132-Q134 PolarHBondContact O-N 3.47Å; Q134-K136 HydrophobicContact CB-CD 4.19Å; Q134-K136 HydrophobicContact CB-CG 4.14Å; Q134-K136 PolarHBondContact O-N 3.34Å
135G90.6Very high94.1Very high58 Ų5848 Ų4860%0.59825%0.254SS*.THydrogen-bonded Turntrans7015.8-175.200000114.2L131 R132 A133 S137L131-G135 PolarHBondContact O-N 3.43Å; R132-G135 PolarHBondContact O-N 2.57Å; A133-G135 VanDerWaalsContact C-N 3.28Å; A133-G135 PolarHBondContact O-N 2.84Å; G135-S137 PolarHBondContact O-N 3.24Å
136K94.4Very high94.2Very high90 Ų9050 Ų5039%0.39126%0.264SS..  trans-8560.5179.2-73-179.6-175.4164.90110.7L131 Q134 T138 E139 A140L131-K136 HydrophobicContact CB-CB 4.29Å; L131-K136 HydrophobicContact CD2-CB 4.19Å; L131-K136 HydrophobicContact CD2-CD 3.93Å; L131-K136 WeakPolarHBondContact O-CB 3.44Å; L131-K136 PolarHBondContact O-N 3.06Å; Q134-K136 HydrophobicContact CB-CD 4.19Å; Q134-K136 HydrophobicContact CB-CG 4.14Å; Q134-K136 PolarHBondContact O-N 3.34Å; K136-T138 VanDerWaalsContact C-N 3.34Å; K136-T138 PolarHBondContact O-N 2.9Å; K136-E139 WeakPolarHBondContact CA-OE2 3.3Å; K136-E139 HydrophobicContact CB-CB 4.43Å; K136-E139 WeakPolarHBondContact CB-OE2 3.38Å; K136-E139 PolarHBondContact O-N 3.15Å; K136-A140 WeakPolarHBondContact O-CB 3.47Å; K136-A140 PolarHBondContact O-N 2.9Å
137S94.3Very high94.2Very high25 Ų2547.2 Ų47.218%0.17525%0.253CS..Hα-helixtrans-58.6-42.8-173.8-610000112.7G135 A140 I141 E168G135-S137 PolarHBondContact O-N 3.24Å; S137-A140 PolarHBondContact O-N 3.31Å; S137-I141 WeakPolarHBondContact O-CB 3.42Å; S137-I141 VanDerWaalsContact O-CG1 3.29Å; S137-I141 WeakPolarHBondContact O-CG1 3.44Å; S137-I141 PolarHBondContact O-N 3.38Å; S137-E168 WeakPolarHBondContact CB-OE1 3.23Å; S137-E168 PolarHBondContact OG-OE1 3.36Å
138T95.3Very high94.2Very high101 Ų10145.4 Ų45.462%0.6225%0.246SC*.Hα-helixtrans-65-43.2-177.6-48.30000111.6K136 I141 R142K136-T138 VanDerWaalsContact C-N 3.34Å; K136-T138 PolarHBondContact O-N 2.9Å; T138-I141 PolarHBondContact O-N 2.98Å; T138-R142 PolarHBondContact O-N 2.92Å; T138-R142 VanDerWaalsContact O-N 3.1Å
139E95.9Very high94.2Very high87 Ų8753 Ų5341%0.40728%0.281SS..Hα-helixtrans-66-42.2174.3-6584-177.700111.7L131 K136 I141 R142 E143L131-E139 HydrophobicContact CD1-CB 4.12Å; L131-E139 HydrophobicContact CD2-CB 4.14Å; K136-E139 WeakPolarHBondContact CA-OE2 3.3Å; K136-E139 HydrophobicContact CB-CB 4.43Å; K136-E139 WeakPolarHBondContact CB-OE2 3.38Å; K136-E139 PolarHBondContact O-N 3.15Å; E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.46Å; E139-R142 PolarHBondContact O-N 3.34Å; E139-E143 WeakPolarHBondContact O-CG 3.32Å; E139-E143 PolarHBondContact O-N 3.03Å
140A96.8Very high94.2Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-59.9-42.3177.400000112L131 R132 K136 S137 E143 L144 L164L131-A140 HydrophobicContact CB-CB 3.91Å; R132-A140 HydrophobicContact CG-CB 3.96Å; K136-A140 WeakPolarHBondContact O-CB 3.47Å; K136-A140 PolarHBondContact O-N 2.9Å; S137-A140 PolarHBondContact O-N 3.31Å; A140-E143 PolarHBondContact O-N 3.35Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.34Å; A140-L164 HydrophobicContact CB-CD1 3.9Å
141I97.8Very high94.1Very high21 Ų2159.8 Ų59.811%0.10831%0.308CS..Hα-helixtrans-60.5-47.9174.3-73.5167.9000110.5S137 T138 E139 E143 L144 N145 L161 L164 Y165 E168S137-I141 WeakPolarHBondContact O-CB 3.42Å; S137-I141 VanDerWaalsContact O-CG1 3.29Å; S137-I141 WeakPolarHBondContact O-CG1 3.44Å; S137-I141 PolarHBondContact O-N 3.38Å; T138-I141 PolarHBondContact O-N 2.98Å; E139-I141 VanDerWaalsContact C-N 3.32Å; E139-I141 PolarHBondContact O-N 3.46Å; I141-E143 PolarHBondContact O-N 3Å; I141-L144 PolarHBondContact O-N 3.14Å; I141-N145 WeakPolarHBondContact CG2-ND2 3.48Å; I141-N145 PolarHBondContact O-N 3.12Å; I141-N145 PolarHBondContact O-ND2 3.06Å; I141-L161 HydrophobicContact CB-CD1 4.38Å; I141-L161 HydrophobicContact CG1-CD1 4.22Å; I141-L161 HydrophobicContact CG2-CD1 4.13Å; I141-L164 HydrophobicContact CD1-CB 4.09Å; I141-L164 HydrophobicContact CG1-CB 3.7Å; I141-L164 HydrophobicContact CG1-CD1 4.07Å; I141-L164 HydrophobicContact CG1-CG 4.48Å; I141-Y165 HydrophobicContact CD1-CD1 3.98Å; I141-Y165 HydrophobicContact CD1-CE1 4.05Å; I141-Y165 HydrophobicContact CG1-CE1 4.37Å; I141-Y165 HydrophobicContact CG2-CD1 4.47Å; I141-Y165 HydrophobicContact CG2-CE1 3.54Å; I141-E168 HydrophobicContact CD1-CG 3.79Å
142R97.4Very high94.1Very high116 Ų11663.2 Ų63.244%0.43833%0.33SS..Hα-helixtrans-58.1-50.2179.3-176.1-177.260.472.66.2111.2T138 E139 L144 N145 E146T138-R142 PolarHBondContact O-N 2.92Å; T138-R142 VanDerWaalsContact O-N 3.1Å; E139-R142 PolarHBondContact O-N 3.34Å; R142-L144 VanDerWaalsContact C-N 3.34Å; R142-L144 PolarHBondContact O-N 3.5Å; R142-N145 PolarHBondContact O-N 3.05Å; R142-E146 WeakPolarHBondContact CG-OE1 3.27Å; R142-E146 IonicContact CZ-OE1 2.69Å; R142-E146 VanDerWaalsContact NH1-CD 3.32Å; R142-E146 IonicContact NH1-OE1 2.63Å; R142-E146 PolarHBondContact NH1-OE1 3.43Å; R142-E146 IonicContact NH1-OE2 2.85Å; R142-E146 PolarHBondContact NH1-OE2 3.31Å; R142-E146 PolarHBondContact O-N 2.91Å
143E95.6Very high94.2Very high42 Ų4262.2 Ų62.220%0.19635%0.345CS..Hα-helixtrans-64.2-36-179.3-67.7-71.5145.400112.5I128 L131 E139 A140 I141 Y147I128-E143 HydrophobicContact CD1-CB 4.43Å; I128-E143 HydrophobicContact CG1-CB 3.89Å; L131-E143 HydrophobicContact CD1-CB 4.42Å; L131-E143 HydrophobicContact CD1-CG 3.84Å; E139-E143 WeakPolarHBondContact O-CG 3.32Å; E139-E143 PolarHBondContact O-N 3.03Å; A140-E143 PolarHBondContact O-N 3.35Å; I141-E143 PolarHBondContact O-N 3Å; E143-Y147 VanDerWaalsContact O-CB 3.3Å; E143-Y147 WeakPolarHBondContact O-CB 3.28Å; E143-Y147 PolarHBondContact O-N 2.91Å
144L96.5Very high94.4Very high1 Ų160.6 Ų60.61%0.00533%0.328CS..Hα-helixtrans-67.5-38.9174.4-87163.5000112.8I128 A140 I141 R142 Y147 L148 A157 E160 L161 L164I128-L144 HydrophobicContact CD1-CD2 3.92Å; I128-L144 HydrophobicContact CD1-CG 3.98Å; I128-L144 HydrophobicContact CG1-CG 4.46Å; I128-L144 HydrophobicContact CG2-CD1 3.79Å; I128-L144 HydrophobicContact CG2-CD2 4.1Å; I128-L144 HydrophobicContact CG2-CG 3.66Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 PolarHBondContact O-N 3.34Å; I141-L144 PolarHBondContact O-N 3.14Å; R142-L144 VanDerWaalsContact C-N 3.34Å; R142-L144 PolarHBondContact O-N 3.5Å; L144-Y147 PolarHBondContact O-N 2.91Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.29Å; L144-L148 PolarHBondContact O-N 3.31Å; L144-A157 HydrophobicContact CD2-CB 3.92Å; L144-E160 HydrophobicContact CD1-CB 4.34Å; L144-L161 HydrophobicContact CB-CB 4.41Å; L144-L161 HydrophobicContact CB-CD1 3.98Å; L144-L161 HydrophobicContact CD1-CB 4.25Å; L144-L161 HydrophobicContact CD1-CD1 4.38Å; L144-L164 HydrophobicContact CD1-CD1 3.44Å; L144-L164 VanDerWaalsContact CD1-CD1 3.44Å
145N97.3Very high94.6Very high57 Ų5761.1 Ų61.131%0.30533%0.33SS..Hα-helixtrans-63.4-48.5174.3-74.5-77.3000110.5I141 R142 Y147 L148 E149 Y165I141-N145 WeakPolarHBondContact CG2-ND2 3.48Å; I141-N145 PolarHBondContact O-N 3.12Å; I141-N145 PolarHBondContact O-ND2 3.06Å; R142-N145 PolarHBondContact O-N 3.05Å; N145-Y147 VanDerWaalsContact C-N 3.26Å; N145-Y147 PolarHBondContact O-N 3.17Å; N145-L148 PolarHBondContact O-N 2.87Å; N145-L148 VanDerWaalsContact O-N 3.15Å; N145-E149 WeakPolarHBondContact O-CG 3.38Å; N145-E149 PolarHBondContact O-N 3.43Å; N145-Y165 PolarHBondContact ND2-OH 3.06Å; N145-Y165 PolarHBondContact OD1-OH 3.36Å
146E94.9Very high94.7Very high75 Ų7564.1 Ų64.135%0.3533%0.329SS..Hα-helixtrans-60.5-34.6176.7-70.8174.1-161.800112.4R142R142-E146 WeakPolarHBondContact CG-OE1 3.27Å; R142-E146 IonicContact CZ-OE1 2.69Å; R142-E146 VanDerWaalsContact NH1-CD 3.32Å; R142-E146 IonicContact NH1-OE1 2.63Å; R142-E146 PolarHBondContact NH1-OE1 3.43Å; R142-E146 IonicContact NH1-OE2 2.85Å; R142-E146 PolarHBondContact NH1-OE2 3.31Å; R142-E146 PolarHBondContact O-N 2.91Å
147Y94.4Very high94.7Very high3 Ų359.9 Ų59.91%0.01231%0.31CS..Hα-helixtrans-66.1-49.3172.6174.1-110.2000112.2T121 E143 L144 N145 E149 Q150 F151 D154 A157T121-Y147 WeakPolarHBondContact CB-OH 3.48Å; T121-Y147 HydrophobicContact CG2-CE2 3.9Å; E143-Y147 VanDerWaalsContact O-CB 3.3Å; E143-Y147 WeakPolarHBondContact O-CB 3.28Å; E143-Y147 PolarHBondContact O-N 2.91Å; L144-Y147 PolarHBondContact O-N 2.91Å; N145-Y147 VanDerWaalsContact C-N 3.26Å; N145-Y147 PolarHBondContact O-N 3.17Å; Y147-E149 VanDerWaalsContact C-N 3.27Å; Y147-E149 PolarHBondContact O-N 3.18Å; Y147-Q150 PolarHBondContact O-N 3.44Å; Y147-F151 HydrophobicContact CD2-CB 4.38Å; Y147-F151 AromaticContact CD2-CD2 3.34Å; Y147-F151 HydrophobicContact CD2-CD2 3.34Å; Y147-F151 AromaticContact CD2-CE2 3.96Å; Y147-F151 HydrophobicContact CD2-CE2 3.96Å; Y147-F151 HydrophobicContact CD2-CG 4.19Å; Y147-F151 HydrophobicContact CE1-CB 4.14Å; Y147-F151 HydrophobicContact CE2-CB 3.92Å; Y147-F151 AromaticContact CE2-CD2 3.18Å; Y147-F151 HydrophobicContact CE2-CD2 3.18Å; Y147-F151 AromaticContact CE2-CE2 3.81Å; Y147-F151 HydrophobicContact CE2-CE2 3.81Å; Y147-F151 AromaticContact CE2-CG 3.68Å; Y147-F151 HydrophobicContact CE2-CG 3.68Å; Y147-F151 HydrophobicContact CG-CD2 4.29Å; Y147-F151 AromaticContact CZ-CD2 3.97Å; Y147-F151 WeakPolarHBondContact O-CD2 3.49Å; Y147-F151 PolarHBondContact O-N 2.98Å; Y147-D154 HydrophobicContact CE1-CB 3.89Å; Y147-D154 WeakPolarHBondContact CE1-OD2 3.49Å; Y147-D154 PolarHBondContact OH-OD2 3.43Å; Y147-A157 HydrophobicContact CD1-CB 3.7Å; Y147-A157 HydrophobicContact CE1-CB 3.44Å; Y147-A157 VanDerWaalsContact CE1-CB 3.44Å
148L95.6Very high94.9Very high9 Ų960.1 Ų60.15%0.04731%0.307CS..Hα-helixtrans-69.7-21.5-176.9-74.5169000113.2L144 N145 Q150 V152 A157 W158 L161L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.29Å; L144-L148 PolarHBondContact O-N 3.31Å; N145-L148 PolarHBondContact O-N 2.87Å; N145-L148 VanDerWaalsContact O-N 3.15Å; L148-Q150 PolarHBondContact O-N 3.08Å; L148-V152 WeakPolarHBondContact O-CA 3.41Å; L148-V152 PolarHBondContact O-N 3.28Å; L148-V152 VanDerWaalsContact O-N 3.16Å; L148-A157 HydrophobicContact CD2-CB 3.8Å; L148-A157 HydrophobicContact CG-CB 4.24Å; L148-W158 HydrophobicContact CB-CZ2 4.43Å; L148-W158 HydrophobicContact CD1-CD2 3.78Å; L148-W158 HydrophobicContact CD1-CE3 3.86Å; L148-W158 HydrophobicContact CD1-CG 4.22Å; L148-W158 HydrophobicContact CD1-CH2 4.4Å; L148-W158 HydrophobicContact CD1-CZ2 4.34Å; L148-W158 HydrophobicContact CD1-CZ3 4.17Å; L148-W158 HydrophobicContact CD2-CD2 4.16Å; L148-W158 HydrophobicContact CD2-CG 4.05Å; L148-L161 HydrophobicContact CD1-CB 4.35Å; L148-L161 HydrophobicContact CD1-CD2 3.61Å
149E94.4Very high95Very high161 Ų16157.3 Ų57.375%0.75229%0.287SS*.Hα-helixtrans-59.6-31.8167.7-75.7177.3-172.500112.5N145 Y147N145-E149 WeakPolarHBondContact O-CG 3.38Å; N145-E149 PolarHBondContact O-N 3.43Å; Y147-E149 VanDerWaalsContact C-N 3.27Å; Y147-E149 PolarHBondContact O-N 3.18Å
150Q91.8Very high94.9Very high119 Ų11954.1 Ų54.156%0.55627%0.272SS*.Hα-helixtrans-97.1-33.6179.8-64.5170.126.800112.1R124 Y147 L148R124-Q150 VanDerWaalsContact NH1-OE1 3.1Å; Y147-Q150 PolarHBondContact O-N 3.44Å; L148-Q150 PolarHBondContact O-N 3.08Å
151F91.1Very high95Very high58 Ų5854.1 Ų54.125%0.25427%0.272SS..  trans-124.152.8-171.4-57-80.3000111.9T121 Y147 G153 D154T121-F151 HydrophobicContact CG2-CD1 3.71Å; T121-F151 HydrophobicContact CG2-CD2 4.21Å; T121-F151 HydrophobicContact CG2-CE1 3.46Å; T121-F151 VanDerWaalsContact CG2-CE1 3.46Å; T121-F151 HydrophobicContact CG2-CE2 4Å; T121-F151 HydrophobicContact CG2-CG 4.07Å; T121-F151 HydrophobicContact CG2-CZ 3.61Å; Y147-F151 HydrophobicContact CD2-CB 4.38Å; Y147-F151 AromaticContact CD2-CD2 3.34Å; Y147-F151 HydrophobicContact CD2-CD2 3.34Å; Y147-F151 AromaticContact CD2-CE2 3.96Å; Y147-F151 HydrophobicContact CD2-CE2 3.96Å; Y147-F151 HydrophobicContact CD2-CG 4.19Å; Y147-F151 HydrophobicContact CE1-CB 4.14Å; Y147-F151 HydrophobicContact CE2-CB 3.92Å; Y147-F151 AromaticContact CE2-CD2 3.18Å; Y147-F151 HydrophobicContact CE2-CD2 3.18Å; Y147-F151 AromaticContact CE2-CE2 3.81Å; Y147-F151 HydrophobicContact CE2-CE2 3.81Å; Y147-F151 AromaticContact CE2-CG 3.68Å; Y147-F151 HydrophobicContact CE2-CG 3.68Å; Y147-F151 HydrophobicContact CG-CD2 4.29Å; Y147-F151 AromaticContact CZ-CD2 3.97Å; Y147-F151 WeakPolarHBondContact O-CD2 3.49Å; Y147-F151 PolarHBondContact O-N 2.98Å; F151-G153 PolarHBondContact O-N 3.48Å; F151-D154 WeakPolarHBondContact O-CB 3.35Å; F151-D154 PolarHBondContact O-N 3.43Å
152V92.8Very high95Very high99 Ų9953.1 Ų53.160%0.627%0.267SS*.THydrogen-bonded Turntrans-54.8-23.6-175.470.60000114.7L148 W158L148-V152 WeakPolarHBondContact O-CA 3.41Å; L148-V152 PolarHBondContact O-N 3.28Å; L148-V152 VanDerWaalsContact O-N 3.16Å; V152-W158 HydrophobicContact CG2-CZ2 4.31Å; V152-W158 PolarHBondContact O-NE1 3.11Å
153G91.9Very high94.9Very high61 Ų6150.8 Ų50.863%0.62926%0.261SS*.THydrogen-bonded Turntrans-82.4-4.7178.500000115.2F151 Q155F151-G153 PolarHBondContact O-N 3.48Å; G153-Q155 PolarHBondContact O-N 2.93Å; G153-Q155 VanDerWaalsContact O-N 3.11Å
154D93.7Very high95Very high32 Ų3249 Ų4917%0.17125%0.253CS..  trans-77.497.3179.6-170.8-22.1000110.9K125 Y147 F151 E156 A157 W158K125-D154 IonicContact NZ-OD1 3.31Å; K125-D154 PolarHBondContact NZ-OD1 3.08Å; K125-D154 IonicContact NZ-OD2 3.99Å; K125-D154 PolarHBondContact NZ-OD2 3.02Å; Y147-D154 HydrophobicContact CE1-CB 3.89Å; Y147-D154 WeakPolarHBondContact CE1-OD2 3.49Å; Y147-D154 PolarHBondContact OH-OD2 3.43Å; F151-D154 WeakPolarHBondContact O-CB 3.35Å; F151-D154 PolarHBondContact O-N 3.43Å; D154-E156 VanDerWaalsContact C-N 3.34Å; D154-E156 PolarHBondContact O-N 2.93Å; D154-E156 PolarHBondContact OD1-N 3.06Å; D154-A157 HydrophobicContact CB-CB 4.04Å; D154-A157 PolarHBondContact O-N 3.05Å; D154-A157 PolarHBondContact OD1-N 3.46Å; D154-W158 VanDerWaalsContact O-CD1 3.29Å; D154-W158 PolarHBondContact O-N 3.03Å; D154-W158 VanDerWaalsContact O-N 3.14Å
155Q94.1Very high95.1Very high68 Ų6849.7 Ų49.732%0.31826%0.256SS..Hα-helixtrans-66-35.2-178.7-56.5179.6700112.7G153 A157 W158 H159 L181 N185G153-Q155 PolarHBondContact O-N 2.93Å; G153-Q155 VanDerWaalsContact O-N 3.11Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 3.24Å; Q155-W158 PolarHBondContact O-N 3.36Å; Q155-H159 WeakPolarHBondContact O-CB 3.4Å; Q155-H159 PolarHBondContact O-N 3.01Å; Q155-L181 HydrophobicContact CB-CD2 3.94Å; Q155-L181 WeakPolarHBondContact O-CD2 3.41Å; Q155-N185 PolarHBondContact NE2-ND2 2.84Å; Q155-N185 VanDerWaalsContact NE2-ND2 3.16Å; Q155-N185 PolarHBondContact NE2-OD1 2.97Å; Q155-N185 PolarHBondContact OE1-ND2 3.11Å; Q155-N185 PolarHBondContact OE1-OD1 3.47Å
156E92.7Very high95.1Very high122 Ų12249.5 Ų49.557%0.5725%0.254SS*.Hα-helixtrans-66.2-40.7179.2-176.9-180-161.600109.6K125 D154 H159 E160K125-E156 VanDerWaalsContact NZ-CD 3.26Å; K125-E156 IonicContact NZ-OE2 4Å; K125-E156 PolarHBondContact NZ-OE2 2.8Å; D154-E156 VanDerWaalsContact C-N 3.34Å; D154-E156 PolarHBondContact O-N 2.93Å; D154-E156 PolarHBondContact OD1-N 3.06Å; E156-H159 PolarHBondContact O-N 3.21Å; E156-E160 WeakPolarHBondContact O-CG 3.23Å; E156-E160 PolarHBondContact O-N 3.36Å
157A95.3Very high95.1Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-66.6-38175.400000113.6L144 Y147 L148 D154 Q155 H159 L161L144-A157 HydrophobicContact CD2-CB 3.92Å; Y147-A157 HydrophobicContact CD1-CB 3.7Å; Y147-A157 HydrophobicContact CE1-CB 3.44Å; Y147-A157 VanDerWaalsContact CE1-CB 3.44Å; L148-A157 HydrophobicContact CD2-CB 3.8Å; L148-A157 HydrophobicContact CG-CB 4.24Å; D154-A157 HydrophobicContact CB-CB 4.04Å; D154-A157 PolarHBondContact O-N 3.05Å; D154-A157 PolarHBondContact OD1-N 3.46Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 3.24Å; A157-H159 VanDerWaalsContact C-N 3.3Å; A157-H159 PolarHBondContact O-N 2.85Å; A157-L161 VanDerWaalsContact O-CB 3.32Å; A157-L161 WeakPolarHBondContact O-CB 3.28Å; A157-L161 PolarHBondContact O-N 3.03Å
158W97.6Very high95.2Very high30 Ų3054.7 Ų54.711%0.11428%0.282CS..Hα-helixtrans-61.5-40.1171.6-83.9114.1000112.4L148 V152 D154 Q155 L161 S162 F176 C177 E180 L181L148-W158 HydrophobicContact CB-CZ2 4.43Å; L148-W158 HydrophobicContact CD1-CD2 3.78Å; L148-W158 HydrophobicContact CD1-CE3 3.86Å; L148-W158 HydrophobicContact CD1-CG 4.22Å; L148-W158 HydrophobicContact CD1-CH2 4.4Å; L148-W158 HydrophobicContact CD1-CZ2 4.34Å; L148-W158 HydrophobicContact CD1-CZ3 4.17Å; L148-W158 HydrophobicContact CD2-CD2 4.16Å; L148-W158 HydrophobicContact CD2-CG 4.05Å; V152-W158 HydrophobicContact CG2-CZ2 4.31Å; V152-W158 PolarHBondContact O-NE1 3.11Å; D154-W158 VanDerWaalsContact O-CD1 3.29Å; D154-W158 PolarHBondContact O-N 3.03Å; D154-W158 VanDerWaalsContact O-N 3.14Å; Q155-W158 PolarHBondContact O-N 3.36Å; W158-L161 HydrophobicContact CE3-CD2 4.48Å; W158-L161 HydrophobicContact CZ3-CD2 4.36Å; W158-S162 PolarHBondContact O-N 3.06Å; W158-F176 AromaticContact CH2-CE1 3.92Å; W158-F176 HydrophobicContact CH2-CE1 3.92Å; W158-F176 HydrophobicContact CZ3-CD1 4.26Å; W158-F176 HydrophobicContact CZ3-CE1 4.04Å; W158-C177 HydrophobicContact CE3-CB 3.89Å; W158-C177 HydrophobicContact CZ3-CB 4.36Å; W158-E180 HydrophobicContact CD2-CB 4.15Å; W158-E180 HydrophobicContact CD2-CG 4.44Å; W158-E180 HydrophobicContact CE3-CB 4.41Å; W158-E180 HydrophobicContact CE3-CG 4.42Å; W158-E180 HydrophobicContact CH2-CG 4.11Å; W158-E180 HydrophobicContact CZ2-CG 4.11Å; W158-E180 HydrophobicContact CZ3-CG 4.26Å; W158-L181 HydrophobicContact CB-CD1 4.37Å; W158-L181 HydrophobicContact CB-CD2 3.78Å; W158-L181 HydrophobicContact CB-CG 3.94Å
159H96.4Very high95.3Very high43 Ų4360.5 Ų60.520%0.19931%0.308CS..Hα-helixtrans-66.9-48.5178-171.3-104.7000111.2Q155 E156 A157 L161 S162 E163 L181 Y191 Q194Q155-H159 WeakPolarHBondContact O-CB 3.4Å; Q155-H159 PolarHBondContact O-N 3.01Å; E156-H159 PolarHBondContact O-N 3.21Å; A157-H159 VanDerWaalsContact C-N 3.3Å; A157-H159 PolarHBondContact O-N 2.85Å; H159-L161 VanDerWaalsContact C-N 3.31Å; H159-L161 PolarHBondContact O-N 3.3Å; H159-S162 WeakPolarHBondContact O-CB 3.32Å; H159-S162 PolarHBondContact O-N 3.46Å; H159-S162 VanDerWaalsContact O-N 3.07Å; H159-S162 PolarHBondContact O-OG 3Å; H159-E163 IonicContact CE1-OE1 2.83Å; H159-E163 PolarHBondContact O-N 3.01Å; H159-L181 HydrophobicContact CB-CD1 3.89Å; H159-Y191 AromaticContact CD2-CE1 3.74Å; H159-Q194 PolarHBondContact NE2-NE2 2.9Å; H159-Q194 PolarHBondContact NE2-OE1 3.09Å
160E95.4Very high95.5Very high19 Ų1955.3 Ų55.39%0.08929%0.286CS..Hα-helixtrans-57.1-43174.6-73.7-172.4-126.700112.3R132 L144 E156 S162 E163 L164R132-E160 IonicContact CZ-OE2 3.59Å; R132-E160 IonicContact NH1-OE2 2.97Å; R132-E160 PolarHBondContact NH1-OE2 3.42Å; L144-E160 HydrophobicContact CD1-CB 4.34Å; E156-E160 WeakPolarHBondContact O-CG 3.23Å; E156-E160 PolarHBondContact O-N 3.36Å; E160-S162 VanDerWaalsContact C-N 3.32Å; E160-S162 PolarHBondContact O-N 3.07Å; E160-E163 PolarHBondContact O-N 3.35Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.65Å
161L97.8Very high95.8Very high0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-64.1-38.2177-177.358.2000111.7I141 L144 L148 A157 W158 H159 L164 Y165I141-L161 HydrophobicContact CB-CD1 4.38Å; I141-L161 HydrophobicContact CG1-CD1 4.22Å; I141-L161 HydrophobicContact CG2-CD1 4.13Å; L144-L161 HydrophobicContact CB-CB 4.41Å; L144-L161 HydrophobicContact CB-CD1 3.98Å; L144-L161 HydrophobicContact CD1-CB 4.25Å; L144-L161 HydrophobicContact CD1-CD1 4.38Å; L148-L161 HydrophobicContact CD1-CB 4.35Å; L148-L161 HydrophobicContact CD1-CD2 3.61Å; A157-L161 VanDerWaalsContact O-CB 3.32Å; A157-L161 WeakPolarHBondContact O-CB 3.28Å; A157-L161 PolarHBondContact O-N 3.03Å; W158-L161 HydrophobicContact CE3-CD2 4.48Å; W158-L161 HydrophobicContact CZ3-CD2 4.36Å; H159-L161 VanDerWaalsContact C-N 3.31Å; H159-L161 PolarHBondContact O-N 3.3Å; L161-L164 PolarHBondContact O-N 2.88Å; L161-Y165 HydrophobicContact CD1-CD2 3.98Å; L161-Y165 HydrophobicContact CD1-CE2 3.49Å; L161-Y165 VanDerWaalsContact CD1-CE2 3.49Å; L161-Y165 HydrophobicContact CD2-CE2 3.9Å; L161-Y165 HydrophobicContact CG-CD2 3.87Å; L161-Y165 HydrophobicContact CG-CE2 3.48Å; L161-Y165 VanDerWaalsContact CG-CE2 3.48Å; L161-Y165 VanDerWaalsContact O-CD2 3.28Å; L161-Y165 WeakPolarHBondContact O-CD2 3.21Å; L161-Y165 PolarHBondContact O-N 3.24Å
162S98Very high96.1Very high1 Ų152 Ų521%0.00728%0.28CS..Hα-helixtrans-62.4-42.1175.282.40000112.2W158 H159 E160 Y165 I166W158-S162 PolarHBondContact O-N 3.06Å; H159-S162 WeakPolarHBondContact O-CB 3.32Å; H159-S162 PolarHBondContact O-N 3.46Å; H159-S162 VanDerWaalsContact O-N 3.07Å; H159-S162 PolarHBondContact O-OG 3Å; E160-S162 VanDerWaalsContact C-N 3.32Å; E160-S162 PolarHBondContact O-N 3.07Å; S162-Y165 PolarHBondContact O-N 2.97Å; S162-I166 VanDerWaalsContact O-CG1 3.29Å; S162-I166 WeakPolarHBondContact O-CG1 3.34Å; S162-I166 PolarHBondContact O-N 3.5Å
163E96.4Very high96.4Very high67 Ų6752.1 Ų52.131%0.31327%0.272SS..Hα-helixtrans-64.3-41.4177.2-67.5-170.4149.500111.7R132 H159 E160 I166 N167R132-E163 IonicContact NH2-OE2 3.92Å; H159-E163 IonicContact CE1-OE1 2.83Å; H159-E163 PolarHBondContact O-N 3.01Å; E160-E163 PolarHBondContact O-N 3.35Å; E163-I166 WeakPolarHBondContact O-CB 3.49Å; E163-I166 PolarHBondContact O-N 2.94Å; E163-N167 VanDerWaalsContact O-CG 3.23Å; E163-N167 PolarHBondContact O-N 3.48Å; E163-N167 PolarHBondContact O-ND2 2.75Å
164L96.5Very high96.7Very high4 Ų449.2 Ų49.22%0.02124%0.242CC..Hα-helixtrans-62.9-43.8176.3-71.6172.7000111.9R132 A140 I141 L144 E160 L161 I166 N167 E168R132-L164 HydrophobicContact CG-CD1 4.38Å; R132-L164 HydrophobicContact CG-CD2 4.17Å; A140-L164 HydrophobicContact CB-CD1 3.9Å; I141-L164 HydrophobicContact CD1-CB 4.09Å; I141-L164 HydrophobicContact CG1-CB 3.7Å; I141-L164 HydrophobicContact CG1-CD1 4.07Å; I141-L164 HydrophobicContact CG1-CG 4.48Å; L144-L164 HydrophobicContact CD1-CD1 3.44Å; L144-L164 VanDerWaalsContact CD1-CD1 3.44Å; E160-L164 WeakPolarHBondContact O-CG 3.33Å; E160-L164 PolarHBondContact O-N 2.65Å; L161-L164 PolarHBondContact O-N 2.88Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.48Å; L164-N167 PolarHBondContact O-N 3.3Å; L164-E168 WeakPolarHBondContact O-CG 3.49Å; L164-E168 PolarHBondContact O-N 3.23Å
165Y98.4Very high97Very high16 Ų1647.7 Ų47.76%0.06323%0.234CC..Hα-helixtrans-65.1-33.3175.2-74.9-48.5000113I141 N145 L161 S162 E168 H169 D170 K173I141-Y165 HydrophobicContact CD1-CD1 3.98Å; I141-Y165 HydrophobicContact CD1-CE1 4.05Å; I141-Y165 HydrophobicContact CG1-CE1 4.37Å; I141-Y165 HydrophobicContact CG2-CD1 4.47Å; I141-Y165 HydrophobicContact CG2-CE1 3.54Å; N145-Y165 PolarHBondContact ND2-OH 3.06Å; N145-Y165 PolarHBondContact OD1-OH 3.36Å; L161-Y165 HydrophobicContact CD1-CD2 3.98Å; L161-Y165 HydrophobicContact CD1-CE2 3.49Å; L161-Y165 VanDerWaalsContact CD1-CE2 3.49Å; L161-Y165 HydrophobicContact CD2-CE2 3.9Å; L161-Y165 HydrophobicContact CG-CD2 3.87Å; L161-Y165 HydrophobicContact CG-CE2 3.48Å; L161-Y165 VanDerWaalsContact CG-CE2 3.48Å; L161-Y165 VanDerWaalsContact O-CD2 3.28Å; L161-Y165 WeakPolarHBondContact O-CD2 3.21Å; L161-Y165 PolarHBondContact O-N 3.24Å; S162-Y165 PolarHBondContact O-N 2.97Å; Y165-E168 CarbonylContact O-C 3.38Å; Y165-E168 PolarHBondContact O-N 3.44Å; Y165-H169 PolarHBondContact O-N 3.14Å; Y165-H169 VanDerWaalsContact O-N 3.08Å; Y165-D170 HydrophobicContact CD1-CB 4.01Å; Y165-D170 PolarHBondContact O-N 2.92Å; Y165-K173 HydrophobicContact CD1-CB 3.88Å; Y165-K173 HydrophobicContact CD1-CD 4.06Å; Y165-K173 HydrophobicContact CD2-CB 3.56Å; Y165-K173 HydrophobicContact CE1-CB 3.94Å; Y165-K173 HydrophobicContact CE1-CD 3.43Å; Y165-K173 VanDerWaalsContact CE1-CD 3.43Å; Y165-K173 HydrophobicContact CE1-CG 4.36Å; Y165-K173 HydrophobicContact CE2-CB 3.59Å; Y165-K173 HydrophobicContact CE2-CD 4.14Å; Y165-K173 HydrophobicContact CE2-CG 4.49Å; Y165-K173 HydrophobicContact CG-CB 3.7Å; Y165-K173 VanDerWaalsContact CZ-CD 3.47Å
166I97.6Very high97.2Very high53 Ų5349.5 Ų49.527%0.27224%0.241SC..Hα-helixtrans-63.4-45.1172.5-70.3165.8000110.7S162 E163 L164 E168 H169 A174 V198S162-I166 VanDerWaalsContact O-CG1 3.29Å; S162-I166 WeakPolarHBondContact O-CG1 3.34Å; S162-I166 PolarHBondContact O-N 3.5Å; E163-I166 WeakPolarHBondContact O-CB 3.49Å; E163-I166 PolarHBondContact O-N 2.94Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.48Å; I166-E168 VanDerWaalsContact C-N 3.32Å; I166-E168 PolarHBondContact O-N 2.62Å; I166-H169 PolarHBondContact O-N 3.06Å; I166-H169 PolarHBondContact O-ND1 3.35Å; I166-A174 HydrophobicContact CD1-CB 4.48Å; I166-A174 HydrophobicContact CG1-CB 3.69Å; I166-V198 HydrophobicContact CD1-CG2 3.79Å; I166-V198 HydrophobicContact CG1-CG2 3.97Å
167N95.4Very high97.4Very high99 Ų9943.8 Ų43.853%0.52922%0.215SC..Hα-helixtrans-63.9-37.1179.2-68.8-23.1000112.1E163 L164 H169E163-N167 VanDerWaalsContact O-CG 3.23Å; E163-N167 PolarHBondContact O-N 3.48Å; E163-N167 PolarHBondContact O-ND2 2.75Å; L164-N167 PolarHBondContact O-N 3.3Å; N167-H169 PolarHBondContact O-CE1 2.97Å; N167-H169 PolarHBondContact O-N 3.5Å
168E96.4Very high97.6Very high88 Ų8843.8 Ų43.841%0.41122%0.215SC..THydrogen-bonded Turntrans-83.65174.5-62.8-58.2132.500113.5S137 I141 L164 Y165 I166 D170S137-E168 WeakPolarHBondContact CB-OE1 3.23Å; S137-E168 PolarHBondContact OG-OE1 3.36Å; I141-E168 HydrophobicContact CD1-CG 3.79Å; L164-E168 WeakPolarHBondContact O-CG 3.49Å; L164-E168 PolarHBondContact O-N 3.23Å; Y165-E168 CarbonylContact O-C 3.38Å; Y165-E168 PolarHBondContact O-N 3.44Å; I166-E168 VanDerWaalsContact C-N 3.32Å; I166-E168 PolarHBondContact O-N 2.62Å; E168-D170 PolarHBondContact O-N 3.05Å; E168-D170 VanDerWaalsContact O-N 3.12Å
169H97.4Very high97.6Very high130 Ų13045.4 Ų45.460%0.60222%0.223SC*.THydrogen-bonded Turntrans60.916.7179.9-45.8-38.7000114.9Y165 I166 N167 Y171Y165-H169 PolarHBondContact O-N 3.14Å; Y165-H169 VanDerWaalsContact O-N 3.08Å; I166-H169 PolarHBondContact O-N 3.06Å; I166-H169 PolarHBondContact O-ND1 3.35Å; N167-H169 PolarHBondContact O-CE1 2.97Å; N167-H169 PolarHBondContact O-N 3.5Å; H169-Y171 HydrophobicContact CB-CE2 4.09Å; H169-Y171 PolarHBondContact ND1-OH 3.16Å; H169-Y171 WeakPolarHBondContact O-CD2 3.4Å; H169-Y171 PolarHBondContact O-N 3.26Å
170D98.2Very high97.6Very high53 Ų5345.7 Ų45.728%0.28323%0.225SC..  trans-83.666.9170.9-164.5-22.2000109.9Y165 E168 G172 K173 A174Y165-D170 HydrophobicContact CD1-CB 4.01Å; Y165-D170 PolarHBondContact O-N 2.92Å; E168-D170 PolarHBondContact O-N 3.05Å; E168-D170 VanDerWaalsContact O-N 3.12Å; D170-G172 PolarHBondContact O-N 3.04Å; D170-G172 VanDerWaalsContact O-N 3.11Å; D170-K173 PolarHBondContact O-N 3.46Å; D170-K173 PolarHBondContact OD1-N 2.95Å; D170-K173 WeakPolarHBondContact OD2-CD 3.3Å; D170-K173 VanDerWaalsContact OD2-CE 3.23Å; D170-K173 WeakPolarHBondContact OD2-CE 3.34Å; D170-K173 IonicContact OD2-NZ 3.8Å; D170-K173 PolarHBondContact OD2-NZ 3.2Å; D170-A174 PolarHBondContact O-N 2.79Å
171Y98.4Very high97.7Very high66 Ų6644.8 Ų44.826%0.25922%0.221SC..Hα-helixtrans-60.9-23.2-177.6-55.1-58.5000113.2H169 A175 V198 T201 Q202H169-Y171 HydrophobicContact CB-CE2 4.09Å; H169-Y171 PolarHBondContact ND1-OH 3.16Å; H169-Y171 WeakPolarHBondContact O-CD2 3.4Å; H169-Y171 PolarHBondContact O-N 3.26Å; Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 2.86Å; Y171-V198 VanDerWaalsContact O-CG1 3.25Å; Y171-V198 WeakPolarHBondContact O-CG1 3.41Å; Y171-T201 HydrophobicContact CD1-CG2 4.21Å; Y171-T201 HydrophobicContact CD2-CG2 4.25Å; Y171-T201 HydrophobicContact CE1-CG2 3.73Å; Y171-T201 HydrophobicContact CE2-CG2 3.77Å; Y171-T201 HydrophobicContact CG-CG2 4.45Å; Y171-T201 VanDerWaalsContact CZ-CG2 3.49Å; Y171-Q202 VanDerWaalsContact CB-CG 3.47Å; Y171-Q202 HydrophobicContact CG-CG 4.3Å; Y171-Q202 PolarHBondContact O-NE2 3.48Å; Y171-Q202 VanDerWaalsContact O-NE2 3.16Å
172G98.4Very high97.7Very high41 Ų4145.8 Ų45.842%0.42323%0.226SC..Hα-helixtrans-63.4-53.2175.900000111.2D170 A175 F176D170-G172 PolarHBondContact O-N 3.04Å; D170-G172 VanDerWaalsContact O-N 3.11Å; G172-A175 PolarHBondContact O-N 2.94Å; G172-F176 PolarHBondContact O-N 3.2Å
173K98.5Very high97.5Very high101 Ų10151.8 Ų51.844%0.43926%0.255SS..Hα-helixtrans-70.9-35.3177.5-64.7-175.4-168133.60112.6Y165 D170 A175 F176 C177Y165-K173 HydrophobicContact CD1-CB 3.88Å; Y165-K173 HydrophobicContact CD1-CD 4.06Å; Y165-K173 HydrophobicContact CD2-CB 3.56Å; Y165-K173 HydrophobicContact CE1-CB 3.94Å; Y165-K173 HydrophobicContact CE1-CD 3.43Å; Y165-K173 VanDerWaalsContact CE1-CD 3.43Å; Y165-K173 HydrophobicContact CE1-CG 4.36Å; Y165-K173 HydrophobicContact CE2-CB 3.59Å; Y165-K173 HydrophobicContact CE2-CD 4.14Å; Y165-K173 HydrophobicContact CE2-CG 4.49Å; Y165-K173 HydrophobicContact CG-CB 3.7Å; Y165-K173 VanDerWaalsContact CZ-CD 3.47Å; D170-K173 PolarHBondContact O-N 3.46Å; D170-K173 PolarHBondContact OD1-N 2.95Å; D170-K173 WeakPolarHBondContact OD2-CD 3.3Å; D170-K173 VanDerWaalsContact OD2-CE 3.23Å; D170-K173 WeakPolarHBondContact OD2-CE 3.34Å; D170-K173 IonicContact OD2-NZ 3.8Å; D170-K173 PolarHBondContact OD2-NZ 3.2Å; K173-A175 VanDerWaalsContact C-N 3.3Å; K173-A175 PolarHBondContact O-N 3.18Å; K173-F176 WeakPolarHBondContact O-CB 3.34Å; K173-F176 PolarHBondContact O-N 3.45Å; K173-F176 VanDerWaalsContact O-N 3.17Å; K173-C177 PolarHBondContact O-N 2.75Å; K173-C177 PolarHBondContact O-SG 3.38Å; K173-C177 VanDerWaalsContact O-SG 3.36Å
174A98.6Very high97.4Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-57.7-43.7173.100000112.2I166 D170 F176 C177 L178 V198I166-A174 HydrophobicContact CD1-CB 4.48Å; I166-A174 HydrophobicContact CG1-CB 3.69Å; D170-A174 PolarHBondContact O-N 2.79Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 2.83Å; A174-C177 PolarHBondContact O-N 3.39Å; A174-L178 WeakPolarHBondContact O-CG 3.38Å; A174-L178 PolarHBondContact O-N 3.41Å; A174-L178 VanDerWaalsContact O-N 3.11Å; A174-V198 HydrophobicContact CB-CG1 4.29Å; A174-V198 HydrophobicContact CB-CG2 4.43Å
175A98.5Very high97.3Very high1 Ų153.9 Ų53.91%0.00827%0.271CS..Hα-helixtrans-62.9-38.7177.400000112.2Y171 G172 K173 L178 E179 Y195 V198 K199Y171-A175 WeakPolarHBondContact O-CB 3.4Å; Y171-A175 PolarHBondContact O-N 2.86Å; G172-A175 PolarHBondContact O-N 2.94Å; K173-A175 VanDerWaalsContact C-N 3.3Å; K173-A175 PolarHBondContact O-N 3.18Å; A175-L178 PolarHBondContact O-N 3.41Å; A175-E179 WeakPolarHBondContact O-CG 3.48Å; A175-E179 PolarHBondContact O-N 2.77Å; A175-Y195 HydrophobicContact CB-CD2 4.39Å; A175-Y195 HydrophobicContact CB-CE2 4.02Å; A175-V198 HydrophobicContact CB-CG1 3.92Å; A175-K199 HydrophobicContact CB-CD 4.44Å
176F98.4Very high97.1Very high105 Ų10556.6 Ų56.646%0.46129%0.291SS..Hα-helixtrans-61.6-47.2175.7177.3-96.6000111.6W158 G172 K173 A174 L178 E179 E180W158-F176 AromaticContact CH2-CE1 3.92Å; W158-F176 HydrophobicContact CH2-CE1 3.92Å; W158-F176 HydrophobicContact CZ3-CD1 4.26Å; W158-F176 HydrophobicContact CZ3-CE1 4.04Å; G172-F176 PolarHBondContact O-N 3.2Å; K173-F176 WeakPolarHBondContact O-CB 3.34Å; K173-F176 PolarHBondContact O-N 3.45Å; K173-F176 VanDerWaalsContact O-N 3.17Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 2.83Å; F176-L178 VanDerWaalsContact C-N 3.28Å; F176-L178 PolarHBondContact O-N 3.45Å; F176-E179 WeakPolarHBondContact O-CB 3.25Å; F176-E179 PolarHBondContact O-N 2.96Å; F176-E179 VanDerWaalsContact O-N 3.1Å; F176-E180 HydrophobicContact CE1-CG 4.3Å; F176-E180 HydrophobicContact CZ-CG 4.39Å; F176-E180 PolarHBondContact O-N 3.45Å
177C98.4Very high97Very high2 Ų261.5 Ų61.51%0.01431%0.312CS..Hα-helixtrans-58.5-40.8175.9-62.10000112.3W158 K173 A174 E179 E180 L181W158-C177 HydrophobicContact CE3-CB 3.89Å; W158-C177 HydrophobicContact CZ3-CB 4.36Å; K173-C177 PolarHBondContact O-N 2.75Å; K173-C177 PolarHBondContact O-SG 3.38Å; K173-C177 VanDerWaalsContact O-SG 3.36Å; A174-C177 PolarHBondContact O-N 3.39Å; C177-E179 VanDerWaalsContact C-N 3.34Å; C177-E180 PolarHBondContact O-N 3.16Å; C177-L181 WeakPolarHBondContact O-CG 3.42Å; C177-L181 PolarHBondContact O-N 3.03Å
178L98.4Very high96.9Very high0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-70.3-28.5177.6-70.6162.8000112.8A174 A175 F176 L181 M182 Q194 Y195 V198A174-L178 WeakPolarHBondContact O-CG 3.38Å; A174-L178 PolarHBondContact O-N 3.41Å; A174-L178 VanDerWaalsContact O-N 3.11Å; A175-L178 PolarHBondContact O-N 3.41Å; F176-L178 VanDerWaalsContact C-N 3.28Å; F176-L178 PolarHBondContact O-N 3.45Å; L178-L181 HydrophobicContact CD2-CD1 4.16Å; L178-L181 PolarHBondContact O-N 3.34Å; L178-M182 WeakPolarHBondContact O-CB 3.45Å; L178-M182 WeakPolarHBondContact O-CG 3.3Å; L178-M182 PolarHBondContact O-N 3.11Å; L178-Q194 HydrophobicContact CD1-CB 4.19Å; L178-Q194 HydrophobicContact CD2-CB 3.87Å; L178-Y195 HydrophobicContact CB-CD2 3.97Å; L178-V198 HydrophobicContact CD1-CB 4.4Å; L178-V198 HydrophobicContact CD1-CG2 3.74Å
179E97.8Very high96.9Very high64 Ų6456.8 Ų56.830%0.29929%0.288SS..Hα-helixtrans-64-46171.9-75.8162.5-174.500111A175 F176 C177 L181 M182 M183 Y195 K199A175-E179 WeakPolarHBondContact O-CG 3.48Å; A175-E179 PolarHBondContact O-N 2.77Å; F176-E179 WeakPolarHBondContact O-CB 3.25Å; F176-E179 PolarHBondContact O-N 2.96Å; F176-E179 VanDerWaalsContact O-N 3.1Å; C177-E179 VanDerWaalsContact C-N 3.34Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.32Å; E179-M182 HydrophobicContact CG-CE 4.17Å; E179-M182 PolarHBondContact O-N 3.19Å; E179-M183 WeakPolarHBondContact O-CG 3.33Å; E179-M183 PolarHBondContact O-N 3.32Å; E179-Y195 HydrophobicContact CG-CD2 4.2Å; E179-Y195 HydrophobicContact CG-CE2 3.47Å; E179-Y195 VanDerWaalsContact CG-CE2 3.47Å; E179-Y195 WeakPolarHBondContact OE1-CE2 3.26Å; E179-Y195 VanDerWaalsContact OE1-CZ 3.3Å; E179-Y195 PolarHBondContact OE1-OH 3.16Å; E179-K199 IonicContact OE1-NZ 2.64Å
180E97.3Very high96.9Very high49 Ų4954.5 Ų54.523%0.22928%0.28CS..Hα-helixtrans-57.7-42.6174.1-65.2-57.6139.100112.1W158 F176 C177 M183 T184W158-E180 HydrophobicContact CD2-CB 4.15Å; W158-E180 HydrophobicContact CD2-CG 4.44Å; W158-E180 HydrophobicContact CE3-CB 4.41Å; W158-E180 HydrophobicContact CE3-CG 4.42Å; W158-E180 HydrophobicContact CH2-CG 4.11Å; W158-E180 HydrophobicContact CZ2-CG 4.11Å; W158-E180 HydrophobicContact CZ3-CG 4.26Å; F176-E180 HydrophobicContact CE1-CG 4.3Å; F176-E180 HydrophobicContact CZ-CG 4.39Å; F176-E180 PolarHBondContact O-N 3.45Å; C177-E180 PolarHBondContact O-N 3.16Å; E180-M183 HydrophobicContact CG-CE 4.4Å; E180-M183 PolarHBondContact O-N 3.36Å; E180-M183 WeakPolarHBondContact OE1-CE 3.46Å; E180-M183 VanDerWaalsContact OE2-CE 3.3Å; E180-M183 WeakPolarHBondContact OE2-CE 3.42Å; E180-T184 PolarHBondContact O-N 3.19Å; E180-T184 VanDerWaalsContact O-N 3.13Å; E180-T184 PolarHBondContact O-OG1 3.17Å
181L97.2Very high96.9Very high0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-65.4-39.9176.7-71.5171.6000113.3Q155 W158 H159 C177 L178 E179 T184 N185 Y191Q155-L181 HydrophobicContact CB-CD2 3.94Å; Q155-L181 WeakPolarHBondContact O-CD2 3.41Å; W158-L181 HydrophobicContact CB-CD1 4.37Å; W158-L181 HydrophobicContact CB-CD2 3.78Å; W158-L181 HydrophobicContact CB-CG 3.94Å; H159-L181 HydrophobicContact CB-CD1 3.89Å; C177-L181 WeakPolarHBondContact O-CG 3.42Å; C177-L181 PolarHBondContact O-N 3.03Å; L178-L181 HydrophobicContact CD2-CD1 4.16Å; L178-L181 PolarHBondContact O-N 3.34Å; E179-L181 VanDerWaalsContact C-N 3.31Å; E179-L181 PolarHBondContact O-N 3.32Å; L181-T184 PolarHBondContact O-OG1 3.28Å; L181-T184 VanDerWaalsContact O-OG1 3.1Å; L181-N185 WeakPolarHBondContact O-CB 3.44Å; L181-N185 PolarHBondContact O-N 3.06Å; L181-N185 PolarHBondContact O-ND2 3.39Å; L181-Y191 HydrophobicContact CB-CD1 4.27Å; L181-Y191 HydrophobicContact CB-CD2 3.74Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CB-CE2 3.96Å; L181-Y191 HydrophobicContact CB-CG 3.91Å; L181-Y191 HydrophobicContact CD1-CD1 4.14Å; L181-Y191 HydrophobicContact CD1-CE1 4.03Å; L181-Y191 HydrophobicContact CD2-CE2 4.19Å
182M96.8Very high96.8Very high21 Ų2150.6 Ų50.610%0.10326%0.262CS..Hα-helixtrans-70.5-34.1176.7-74.9-172-6500112.5L178 E179 N185 P186 C192 Y195 Y214L178-M182 WeakPolarHBondContact O-CB 3.45Å; L178-M182 WeakPolarHBondContact O-CG 3.3Å; L178-M182 PolarHBondContact O-N 3.11Å; E179-M182 HydrophobicContact CG-CE 4.17Å; E179-M182 PolarHBondContact O-N 3.19Å; M182-N185 CarbonylContact O-C 3.48Å; M182-P186 VanDerWaalsContact O-CA 3.27Å; M182-P186 WeakPolarHBondContact O-CA 3.47Å; M182-C192 HydrophobicContact SD-CB 4.49Å; M182-Y195 HydrophobicContact CE-CD1 3.73Å; M182-Y195 HydrophobicContact CE-CD2 3.51Å; M182-Y195 HydrophobicContact CE-CE1 4.16Å; M182-Y195 HydrophobicContact CE-CE2 3.95Å; M182-Y195 HydrophobicContact CE-CG 3.36Å; M182-Y195 HydrophobicContact SD-CD1 4.42Å; M182-Y195 HydrophobicContact SD-CG 4.18Å; M182-Y214 HydrophobicContact CE-CD1 4.42Å; M182-Y214 HydrophobicContact CE-CE1 3.9Å; M182-Y214 HydrophobicContact SD-CD1 3.87Å; M182-Y214 HydrophobicContact SD-CE1 3.69Å
183M95.2Very high96.8Very high127 Ų12749 Ų4963%0.62624%0.244SC*.Hα-helixtrans-66-40.4176-73.5-168.1-65.400111.6E179 E180E179-M183 WeakPolarHBondContact O-CG 3.33Å; E179-M183 PolarHBondContact O-N 3.32Å; E180-M183 HydrophobicContact CG-CE 4.4Å; E180-M183 PolarHBondContact O-N 3.36Å; E180-M183 WeakPolarHBondContact OE1-CE 3.46Å; E180-M183 VanDerWaalsContact OE2-CE 3.3Å; E180-M183 WeakPolarHBondContact OE2-CE 3.42Å
184T94.3Very high96.8Very high74 Ų7446.2 Ų46.245%0.45423%0.233SC..Hα-helixtrans-79.2-27.8178.351.30000113.1E180 L181E180-T184 PolarHBondContact O-N 3.19Å; E180-T184 VanDerWaalsContact O-N 3.13Å; E180-T184 PolarHBondContact O-OG1 3.17Å; L181-T184 PolarHBondContact O-OG1 3.28Å; L181-T184 VanDerWaalsContact O-OG1 3.1Å
185N93.9Very high96.8Very high42 Ų4246.7 Ų46.723%0.22523%0.234CC..  trans-132.869.1-178.3-57.3-85.4000112.4Q155 L181 M182 H187 N188 Y191Q155-N185 PolarHBondContact NE2-ND2 2.84Å; Q155-N185 VanDerWaalsContact NE2-ND2 3.16Å; Q155-N185 PolarHBondContact NE2-OD1 2.97Å; Q155-N185 PolarHBondContact OE1-ND2 3.11Å; Q155-N185 PolarHBondContact OE1-OD1 3.47Å; L181-N185 WeakPolarHBondContact O-CB 3.44Å; L181-N185 PolarHBondContact O-N 3.06Å; L181-N185 PolarHBondContact O-ND2 3.39Å; M182-N185 CarbonylContact O-C 3.48Å; N185-H187 PolarHBondContact O-N 3.1Å; N185-N188 HydrophobicContact CB-CB 3.98Å; N185-N188 PolarHBondContact O-N 3.04Å; N185-Y191 HydrophobicContact CB-CD2 3.99Å; N185-Y191 HydrophobicContact CB-CE2 3.83Å
186P94.7Very high96.8Very high73 Ų7346.7 Ų46.747%0.47423%0.234SC..THydrogen-bonded Turntrans-66.6-13.5-172.526.6-36.2000114.4M182M182-P186 VanDerWaalsContact O-CA 3.27Å; M182-P186 WeakPolarHBondContact O-CA 3.47Å
187H93.9Very high96.8Very high155 Ų15544 Ų4472%0.71822%0.223SC*.THydrogen-bonded Turntrans-101.1-2.3179.3-60.6-60.7000113.7N185 H189N185-H187 PolarHBondContact O-N 3.1Å; H187-H189 PolarHBondContact O-N 3.03Å
188N94.4Very high96.8Very high45 Ų4544.2 Ų44.224%0.24122%0.224CC..  trans-80.5110.9176.3-171.2-22.7000110.2N185 L190 Y191N185-N188 HydrophobicContact CB-CB 3.98Å; N185-N188 PolarHBondContact O-N 3.04Å; N188-L190 VanDerWaalsContact C-N 3.26Å; N188-L190 PolarHBondContact O-N 2.89Å; N188-L190 WeakPolarHBondContact OD1-CB 3.05Å; N188-L190 PolarHBondContact OD1-N 3.34Å; N188-Y191 HydrophobicContact CB-CD2 3.73Å; N188-Y191 HydrophobicContact CB-CE2 4.04Å; N188-Y191 HydrophobicContact CB-CG 4.38Å; N188-Y191 WeakPolarHBondContact ND2-CE2 3.34Å
189H96.8Very high96.9Very high43 Ų4345.3 Ų45.320%0.19923%0.229CC..Hα-helixtrans-66.9-25.9-178.574.378.7000113.4H187 E193 L221 N222 N225H187-H189 PolarHBondContact O-N 3.03Å; H189-E193 WeakPolarHBondContact O-CB 3.44Å; H189-E193 PolarHBondContact O-N 3.47Å; H189-L221 HydrophobicContact CB-CB 3.67Å; H189-L221 HydrophobicContact CB-CD1 4.35Å; H189-N222 HydrophobicContact CB-CB 3.88Å; H189-N222 WeakPolarHBondContact CD2-CB 3.27Å; H189-N222 PolarHBondContact CD2-ND2 3.15Å; H189-N222 PolarHBondContact CE1-ND2 3.26Å; H189-N222 PolarHBondContact NE2-ND2 2.97Å; H189-N225 PolarHBondContact ND1-ND2 3.48Å; H189-N225 VanDerWaalsContact ND1-ND2 3.1Å
190L97Very high96.9Very high82 Ų8245 Ų4543%0.42923%0.226SC..Hα-helixtrans-68.2-41.6-176.9-64.9170.3000110.8N188 C192 E193 Q194N188-L190 VanDerWaalsContact C-N 3.26Å; N188-L190 PolarHBondContact O-N 2.89Å; N188-L190 WeakPolarHBondContact OD1-CB 3.05Å; N188-L190 PolarHBondContact OD1-N 3.34Å; L190-C192 PolarHBondContact O-N 2.84Å; L190-E193 WeakPolarHBondContact O-CB 3.43Å; L190-E193 PolarHBondContact O-N 3.39Å; L190-Q194 WeakPolarHBondContact O-CB 3.32Å; L190-Q194 WeakPolarHBondContact O-CG 3.29Å; L190-Q194 PolarHBondContact O-N 3.28Å
191Y97.3Very high96.9Very high29 Ų2946.3 Ų46.311%0.11424%0.237CC..Hα-helixtrans-67.3-38.4178.3-56.9-31.4000112.1H159 L181 N185 N188 E193 Y195H159-Y191 AromaticContact CD2-CE1 3.74Å; L181-Y191 HydrophobicContact CB-CD1 4.27Å; L181-Y191 HydrophobicContact CB-CD2 3.74Å; L181-Y191 HydrophobicContact CB-CE1 4.48Å; L181-Y191 HydrophobicContact CB-CE2 3.96Å; L181-Y191 HydrophobicContact CB-CG 3.91Å; L181-Y191 HydrophobicContact CD1-CD1 4.14Å; L181-Y191 HydrophobicContact CD1-CE1 4.03Å; L181-Y191 HydrophobicContact CD2-CE2 4.19Å; N185-Y191 HydrophobicContact CB-CD2 3.99Å; N185-Y191 HydrophobicContact CB-CE2 3.83Å; N188-Y191 HydrophobicContact CB-CD2 3.73Å; N188-Y191 HydrophobicContact CB-CE2 4.04Å; N188-Y191 HydrophobicContact CB-CG 4.38Å; N188-Y191 WeakPolarHBondContact ND2-CE2 3.34Å; Y191-E193 VanDerWaalsContact C-N 3.33Å; Y191-E193 PolarHBondContact O-N 3.34Å; Y191-Y195 WeakPolarHBondContact O-CB 3.31Å; Y191-Y195 PolarHBondContact O-N 2.69Å
192C97.4Very high97Very high8 Ų849.3 Ų49.35%0.05425%0.251CS..Hα-helixtrans-62.3-40.5172.2-73.50000112.2M182 L190 A196 A218M182-C192 HydrophobicContact SD-CB 4.49Å; L190-C192 PolarHBondContact O-N 2.84Å; C192-A196 WeakPolarHBondContact O-CB 3.4Å; C192-A196 PolarHBondContact O-N 3.35Å; C192-A196 VanDerWaalsContact O-N 3.1Å; C192-A218 HydrophobicContact CB-CB 3.87Å
193E98.3Very high96.9Very high9 Ų949.3 Ų49.34%0.04226%0.256CS..Hα-helixtrans-64.9-55.4176.6179.2-150.8133.300111.1H189 L190 Y191 Y195 A196 E197 A218 N225 R227 A228H189-E193 WeakPolarHBondContact O-CB 3.44Å; H189-E193 PolarHBondContact O-N 3.47Å; L190-E193 WeakPolarHBondContact O-CB 3.43Å; L190-E193 PolarHBondContact O-N 3.39Å; Y191-E193 VanDerWaalsContact C-N 3.33Å; Y191-E193 PolarHBondContact O-N 3.34Å; E193-Y195 VanDerWaalsContact C-N 3.29Å; E193-Y195 PolarHBondContact O-N 3.1Å; E193-A196 WeakPolarHBondContact O-CA 3.48Å; E193-A196 WeakPolarHBondContact O-CB 3.43Å; E193-A196 PolarHBondContact O-N 3.43Å; E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.3Å; E193-A218 HydrophobicContact CB-CB 4.13Å; E193-N225 PolarHBondContact OE2-ND2 2.95Å; E193-N225 PolarHBondContact OE2-OD1 2.84Å; E193-R227 HydrophobicContact CG-CB 4.12Å; E193-R227 VanDerWaalsContact OE1-CB 3.31Å; E193-R227 WeakPolarHBondContact OE1-CB 3.39Å; E193-R227 WeakPolarHBondContact OE1-CD 3.48Å; E193-R227 IonicContact OE1-CZ 3.41Å; E193-R227 IonicContact OE1-NE 2.88Å; E193-R227 PolarHBondContact OE1-NE 3.39Å; E193-A228 HydrophobicContact CG-CB 4.38Å
194Q98.3Very high97Very high42 Ų4245.7 Ų45.720%0.19625%0.252CS..Hα-helixtrans-59.3-41-179.5-70.9-177.7-46.500111.5H159 L178 L190 A196 E197 V198H159-Q194 PolarHBondContact NE2-NE2 2.9Å; H159-Q194 PolarHBondContact NE2-OE1 3.09Å; L178-Q194 HydrophobicContact CD1-CB 4.19Å; L178-Q194 HydrophobicContact CD2-CB 3.87Å; L190-Q194 WeakPolarHBondContact O-CB 3.32Å; L190-Q194 WeakPolarHBondContact O-CG 3.29Å; L190-Q194 PolarHBondContact O-N 3.28Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; Q194-A196 PolarHBondContact O-N 2.9Å; Q194-E197 PolarHBondContact O-N 2.84Å; Q194-V198 WeakPolarHBondContact O-CG2 3.29Å; Q194-V198 PolarHBondContact O-N 2.94Å
195Y98.7Very high97Very high10 Ų1044.8 Ų44.84%0.03924%0.243CC..Hα-helixtrans-60.2-44.5174.2-178.7-99.6000111.9A175 L178 E179 M182 Y191 E193 E197 V198 K199 Y214A175-Y195 HydrophobicContact CB-CD2 4.39Å; A175-Y195 HydrophobicContact CB-CE2 4.02Å; L178-Y195 HydrophobicContact CB-CD2 3.97Å; E179-Y195 HydrophobicContact CG-CD2 4.2Å; E179-Y195 HydrophobicContact CG-CE2 3.47Å; E179-Y195 VanDerWaalsContact CG-CE2 3.47Å; E179-Y195 WeakPolarHBondContact OE1-CE2 3.26Å; E179-Y195 VanDerWaalsContact OE1-CZ 3.3Å; E179-Y195 PolarHBondContact OE1-OH 3.16Å; M182-Y195 HydrophobicContact CE-CD1 3.73Å; M182-Y195 HydrophobicContact CE-CD2 3.51Å; M182-Y195 HydrophobicContact CE-CE1 4.16Å; M182-Y195 HydrophobicContact CE-CE2 3.95Å; M182-Y195 HydrophobicContact CE-CG 3.36Å; M182-Y195 HydrophobicContact SD-CD1 4.42Å; M182-Y195 HydrophobicContact SD-CG 4.18Å; Y191-Y195 WeakPolarHBondContact O-CB 3.31Å; Y191-Y195 PolarHBondContact O-N 2.69Å; E193-Y195 VanDerWaalsContact C-N 3.29Å; E193-Y195 PolarHBondContact O-N 3.1Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.47Å; Y195-V198 PolarHBondContact O-N 3.32Å; Y195-K199 HydrophobicContact CD1-CG 4.11Å; Y195-K199 HydrophobicContact CE1-CD 4.44Å; Y195-K199 HydrophobicContact CE1-CG 3.74Å; Y195-K199 HydrophobicContact CE2-CD 4.43Å; Y195-K199 VanDerWaalsContact CE2-CE 3.41Å; Y195-K199 HydrophobicContact CE2-CG 4.39Å; Y195-K199 WeakPolarHBondContact O-CG 3.25Å; Y195-K199 PolarHBondContact O-N 3.23Å; Y195-K199 WeakPolarHBondContact OH-CE 3.18Å; Y195-Y214 AromaticContact CD1-CD1 3.71Å; Y195-Y214 HydrophobicContact CD1-CD1 3.71Å; Y195-Y214 AromaticContact CD1-CD2 3.72Å; Y195-Y214 HydrophobicContact CD1-CD2 3.72Å; Y195-Y214 AromaticContact CD1-CE1 3.95Å; Y195-Y214 HydrophobicContact CD1-CE1 3.95Å; Y195-Y214 AromaticContact CD1-CE2 4Å; Y195-Y214 HydrophobicContact CD1-CE2 4Å; Y195-Y214 AromaticContact CD1-CG 3.57Å; Y195-Y214 HydrophobicContact CD1-CG 3.57Å; Y195-Y214 HydrophobicContact CE1-CD1 4.14Å; Y195-Y214 AromaticContact CE1-CD2 3.54Å; Y195-Y214 HydrophobicContact CE1-CD2 3.54Å; Y195-Y214 HydrophobicContact CE1-CE1 4.02Å; Y195-Y214 AromaticContact CE1-CE2 3.43Å; Y195-Y214 HydrophobicContact CE1-CE2 3.43Å; Y195-Y214 VanDerWaalsContact CE1-CE2 3.43Å; Y195-Y214 AromaticContact CE1-CG 3.9Å; Y195-Y214 HydrophobicContact CE1-CG 3.9Å; Y195-Y214 AromaticContact CE1-CZ 3.66Å
196A98.6Very high97.1Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-62.7-38.4176.900000112.3C192 E193 Q194 K199 Y200 A211 F215C192-A196 WeakPolarHBondContact O-CB 3.4Å; C192-A196 PolarHBondContact O-N 3.35Å; C192-A196 VanDerWaalsContact O-N 3.1Å; E193-A196 WeakPolarHBondContact O-CA 3.48Å; E193-A196 WeakPolarHBondContact O-CB 3.43Å; E193-A196 PolarHBondContact O-N 3.43Å; Q194-A196 VanDerWaalsContact C-N 3.34Å; Q194-A196 PolarHBondContact O-N 2.9Å; A196-K199 PolarHBondContact O-N 2.94Å; A196-Y200 VanDerWaalsContact O-CB 3.29Å; A196-Y200 WeakPolarHBondContact O-CB 3.33Å; A196-Y200 PolarHBondContact O-N 3.44Å; A196-A211 WeakPolarHBondContact CB-O 3.45Å; A196-A211 VanDerWaalsContact O-CB 3.26Å; A196-A211 WeakPolarHBondContact O-CB 3.36Å; A196-F215 HydrophobicContact CB-CB 4.37Å; A196-F215 HydrophobicContact CB-CD1 3.44Å; A196-F215 VanDerWaalsContact CB-CD1 3.44Å; A196-F215 HydrophobicContact CB-CD2 3.73Å; A196-F215 HydrophobicContact CB-CE1 3.51Å; A196-F215 HydrophobicContact CB-CE2 3.78Å; A196-F215 HydrophobicContact CB-CG 3.56Å; A196-F215 HydrophobicContact CB-CZ 3.67Å
197E98.7Very high97.3Very high50 Ų5049 Ų4923%0.23426%0.256CS..Hα-helixtrans-64.3-44.2174.9-67.5-179.8173.100112.1E193 Q194 Y195 Y200 T201 F215 R227E193-E197 WeakPolarHBondContact O-CG 3.19Å; E193-E197 PolarHBondContact O-N 3.3Å; Q194-E197 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.47Å; E197-Y200 PolarHBondContact O-N 3.04Å; E197-T201 WeakPolarHBondContact O-CB 3.5Å; E197-T201 PolarHBondContact O-N 3.1Å; E197-T201 PolarHBondContact O-OG1 2.84Å; E197-F215 HydrophobicContact CB-CZ 4.47Å; E197-F215 HydrophobicContact CG-CE1 3.75Å; E197-F215 HydrophobicContact CG-CZ 3.74Å; E197-R227 IonicContact OE1-CZ 2.93Å; E197-R227 VanDerWaalsContact OE1-CZ 3.26Å; E197-R227 IonicContact OE1-NE 3.14Å; E197-R227 PolarHBondContact OE1-NE 3.48Å; E197-R227 IonicContact OE1-NH2 2.76Å; E197-R227 PolarHBondContact OE1-NH2 2.96Å; E197-R227 IonicContact OE2-CZ 3.29Å; E197-R227 IonicContact OE2-NH2 2.74Å; E197-R227 PolarHBondContact OE2-NH2 3.46Å
198V98.7Very high97.5Very high6 Ų642.5 Ų42.54%0.03623%0.227CC..Hα-helixtrans-61.3-47.2175.4173.50000110.5I166 Y171 A174 A175 L178 Q194 Y195 Y200 T201 Q202I166-V198 HydrophobicContact CD1-CG2 3.79Å; I166-V198 HydrophobicContact CG1-CG2 3.97Å; Y171-V198 VanDerWaalsContact O-CG1 3.25Å; Y171-V198 WeakPolarHBondContact O-CG1 3.41Å; A174-V198 HydrophobicContact CB-CG1 4.29Å; A174-V198 HydrophobicContact CB-CG2 4.43Å; A175-V198 HydrophobicContact CB-CG1 3.92Å; L178-V198 HydrophobicContact CD1-CB 4.4Å; L178-V198 HydrophobicContact CD1-CG2 3.74Å; Q194-V198 WeakPolarHBondContact O-CG2 3.29Å; Q194-V198 PolarHBondContact O-N 2.94Å; Y195-V198 PolarHBondContact O-N 3.32Å; V198-Y200 PolarHBondContact O-N 2.95Å; V198-T201 PolarHBondContact O-N 3.44Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.49Å
199K98.8Very high97.6Very high23 Ų2343.4 Ų43.410%0.123%0.23CC..Hα-helixtrans-62.9-39.9176.1-66.6-48.1-174.1-178.70112.4A175 E179 Y195 A196 T201 Q202 G203 N207 L210 A211A175-K199 HydrophobicContact CB-CD 4.44Å; E179-K199 IonicContact OE1-NZ 2.64Å; Y195-K199 HydrophobicContact CD1-CG 4.11Å; Y195-K199 HydrophobicContact CE1-CD 4.44Å; Y195-K199 HydrophobicContact CE1-CG 3.74Å; Y195-K199 HydrophobicContact CE2-CD 4.43Å; Y195-K199 VanDerWaalsContact CE2-CE 3.41Å; Y195-K199 HydrophobicContact CE2-CG 4.39Å; Y195-K199 WeakPolarHBondContact O-CG 3.25Å; Y195-K199 PolarHBondContact O-N 3.23Å; Y195-K199 WeakPolarHBondContact OH-CE 3.18Å; A196-K199 PolarHBondContact O-N 2.94Å; K199-T201 VanDerWaalsContact C-N 3.29Å; K199-T201 PolarHBondContact O-N 3.34Å; K199-Q202 PolarHBondContact O-N 3.21Å; K199-G203 PolarHBondContact O-N 2.94Å; K199-N207 HydrophobicContact CB-CB 4.36Å; K199-N207 VanDerWaalsContact O-CB 3.25Å; K199-N207 WeakPolarHBondContact O-CB 2.97Å; K199-L210 HydrophobicContact CG-CB 4.47Å; K199-A211 HydrophobicContact CB-CB 4.12Å
200Y98.6Very high97.6Very high58 Ų5844 Ų4423%0.22723%0.234CC..Hα-helixtrans-60.7-42.6175.6-176.1-88.5000111.1A196 E197 V198 G203 L208 M234 H238A196-Y200 VanDerWaalsContact O-CB 3.29Å; A196-Y200 WeakPolarHBondContact O-CB 3.33Å; A196-Y200 PolarHBondContact O-N 3.44Å; E197-Y200 PolarHBondContact O-N 3.04Å; V198-Y200 PolarHBondContact O-N 2.95Å; Y200-G203 PolarHBondContact O-N 3.34Å; Y200-G203 VanDerWaalsContact O-N 3.16Å; Y200-L208 HydrophobicContact CD2-CD2 3.56Å; Y200-L208 HydrophobicContact CE2-CD2 3.69Å; Y200-L208 HydrophobicContact CG-CD2 4.33Å; Y200-M234 HydrophobicContact CE2-CB 4.11Å; Y200-H238 AromaticContact CZ-CE1 3.98Å; Y200-H238 AromaticContact CZ-ND1 3.83Å; Y200-H238 PolarHBondContact OH-CE1 3.27Å; Y200-H238 PolarHBondContact OH-ND1 2.94Å; Y200-H238 VanDerWaalsContact OH-ND1 3.09Å
201T98.4Very high97.7Very high75 Ų7540.1 Ų40.146%0.4621%0.214SC..Hα-helixtrans-67.1-39.5179.6-55.20000112.5Y171 E197 V198 K199 G203Y171-T201 HydrophobicContact CD1-CG2 4.21Å; Y171-T201 HydrophobicContact CD2-CG2 4.25Å; Y171-T201 HydrophobicContact CE1-CG2 3.73Å; Y171-T201 HydrophobicContact CE2-CG2 3.77Å; Y171-T201 HydrophobicContact CG-CG2 4.45Å; Y171-T201 VanDerWaalsContact CZ-CG2 3.49Å; E197-T201 WeakPolarHBondContact O-CB 3.5Å; E197-T201 PolarHBondContact O-N 3.1Å; E197-T201 PolarHBondContact O-OG1 2.84Å; V198-T201 PolarHBondContact O-N 3.44Å; K199-T201 VanDerWaalsContact C-N 3.29Å; K199-T201 PolarHBondContact O-N 3.34Å; T201-G203 PolarHBondContact O-N 2.93Å
202Q98.1Very high97.8Very high63 Ų6340 Ų4029%0.29421%0.213SC..Hα-helixtrans-58-27.9172.6-73.5-178.6-41.100112.7Y171 V198 K199Y171-Q202 VanDerWaalsContact CB-CG 3.47Å; Y171-Q202 HydrophobicContact CG-CG 4.3Å; Y171-Q202 PolarHBondContact O-NE2 3.48Å; Y171-Q202 VanDerWaalsContact O-NE2 3.16Å; V198-Q202 WeakPolarHBondContact O-CG 3.35Å; V198-Q202 PolarHBondContact O-N 3.49Å; K199-Q202 PolarHBondContact O-N 3.21Å
203G95.8Very high97.8Very high21 Ų2144.8 Ų44.822%0.21623%0.233CC..  trans64.6-173.3176.900000113.3K199 Y200 T201 N207K199-G203 PolarHBondContact O-N 2.94Å; Y200-G203 PolarHBondContact O-N 3.34Å; Y200-G203 VanDerWaalsContact O-N 3.16Å; T201-G203 PolarHBondContact O-N 2.93Å; G203-N207 VanDerWaalsContact O-CB 3.29Å; G203-N207 WeakPolarHBondContact O-CB 3.41Å; G203-N207 PolarHBondContact O-ND2 3.37Å
204G95.8Very high97.8Very high52 Ų5247.8 Ų47.854%0.53624%0.244SC..SBendtrans81.5153-16900000112.3E206 N207 L208G204-E206 PolarHBondContact O-N 3.44Å; G204-N207 PolarHBondContact O-N 3.21Å; G204-L208 WeakPolarHBondContact O-CB 3.35Å; G204-L208 VanDerWaalsContact O-CG 3.31Å; G204-L208 WeakPolarHBondContact O-CG 3.13Å; G204-L208 PolarHBondContact O-N 2.89Å
205M95.1Very high97.9Very high55 Ų5546 Ų4627%0.27124%0.236SC..Hα-helixtrans-66-38.6-169-63.3-57-70.400112.6L208 E209 S242 V245M205-L208 PolarHBondContact O-N 3.29Å; M205-L208 HydrophobicContact SD-CD1 4.28Å; M205-E209 WeakPolarHBondContact O-CG 3.3Å; M205-E209 PolarHBondContact O-N 3.49Å; M205-S242 VanDerWaalsContact CE-OG 3.23Å; M205-S242 WeakPolarHBondContact CE-OG 3.29Å; M205-S242 PolarHBondContact SD-OG 2.84Å; M205-V245 HydrophobicContact CE-CG1 3.2Å
206E95.9Very high97.9Very high160 Ų16046.8 Ų46.875%0.74825%0.245SC*.Hα-helixtrans-63.1-46.8178.2-65178.4-177.800111.5G204 E209 L210G204-E206 PolarHBondContact O-N 3.44Å; E206-E209 PolarHBondContact O-N 2.87Å; E206-L210 PolarHBondContact O-N 2.96Å
207N98.1Very high97.8Very high43 Ų4349.9 Ų49.923%0.2326%0.259CS..Hα-helixtrans-70.4-34178.6-61.8-44.2000112.3K199 G203 G204 E209 L210 A211K199-N207 HydrophobicContact CB-CB 4.36Å; K199-N207 VanDerWaalsContact O-CB 3.25Å; K199-N207 WeakPolarHBondContact O-CB 2.97Å; G203-N207 VanDerWaalsContact O-CB 3.29Å; G203-N207 WeakPolarHBondContact O-CB 3.41Å; G203-N207 PolarHBondContact O-ND2 3.37Å; G204-N207 PolarHBondContact O-N 3.21Å; N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.16Å; N207-L210 PolarHBondContact O-N 3.1Å; N207-A211 VanDerWaalsContact O-CB 3.3Å; N207-A211 WeakPolarHBondContact O-CB 3.42Å; N207-A211 PolarHBondContact O-N 3.13Å
208L97.9Very high97.8Very high18 Ų1847.5 Ų47.59%0.09425%0.248CC..Hα-helixtrans-62.3-41172.8-74.6173.7000111.5Y200 G204 M205 A211 R212 H238 I239Y200-L208 HydrophobicContact CD2-CD2 3.56Å; Y200-L208 HydrophobicContact CE2-CD2 3.69Å; Y200-L208 HydrophobicContact CG-CD2 4.33Å; G204-L208 WeakPolarHBondContact O-CB 3.35Å; G204-L208 VanDerWaalsContact O-CG 3.31Å; G204-L208 WeakPolarHBondContact O-CG 3.13Å; G204-L208 PolarHBondContact O-N 2.89Å; M205-L208 PolarHBondContact O-N 3.29Å; M205-L208 HydrophobicContact SD-CD1 4.28Å; L208-A211 PolarHBondContact O-N 3.38Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 2.91Å; L208-H238 HydrophobicContact CD1-CB 4.28Å; L208-I239 HydrophobicContact CB-CD1 4.28Å; L208-I239 HydrophobicContact CB-CG1 3.91Å
209E97Very high97.8Very high65 Ų6548 Ų4830%0.30425%0.25SC..Hα-helixtrans-65.7-39.1175.1-75.9-170.4-164.700112.6M205 E206 N207 K213 I239M205-E209 WeakPolarHBondContact O-CG 3.3Å; M205-E209 PolarHBondContact O-N 3.49Å; E206-E209 PolarHBondContact O-N 2.87Å; N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.16Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.36Å; E209-K213 PolarHBondContact O-N 2.96Å; E209-I239 HydrophobicContact CG-CD1 4.08Å
210L98.3Very high97.7Very high55 Ų5556.7 Ų56.729%0.28828%0.282SS..Hα-helixtrans-63.1-51.8172.4-73.8172.5000110.9K199 E206 N207 R212 K213 Y214K199-L210 HydrophobicContact CG-CB 4.47Å; E206-L210 PolarHBondContact O-N 2.96Å; N207-L210 PolarHBondContact O-N 3.1Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.34Å; L210-K213 WeakPolarHBondContact O-CA 3.36Å; L210-K213 WeakPolarHBondContact O-CB 3.41Å; L210-K213 PolarHBondContact O-N 2.92Å; L210-Y214 HydrophobicContact CD2-CE2 4.3Å; L210-Y214 WeakPolarHBondContact O-CD2 3.45Å; L210-Y214 PolarHBondContact O-N 3.38Å
211A98.7Very high97.6Very high0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-51.5-49.4177.700000111.2A196 K199 N207 L208 K213 Y214 F215A196-A211 WeakPolarHBondContact CB-O 3.45Å; A196-A211 VanDerWaalsContact O-CB 3.26Å; A196-A211 WeakPolarHBondContact O-CB 3.36Å; K199-A211 HydrophobicContact CB-CB 4.12Å; N207-A211 VanDerWaalsContact O-CB 3.3Å; N207-A211 WeakPolarHBondContact O-CB 3.42Å; N207-A211 PolarHBondContact O-N 3.13Å; L208-A211 PolarHBondContact O-N 3.38Å; A211-K213 VanDerWaalsContact C-N 3.32Å; A211-K213 PolarHBondContact O-N 2.93Å; A211-Y214 PolarHBondContact O-N 2.69Å; A211-F215 HydrophobicContact CB-CD2 4.32Å; A211-F215 HydrophobicContact CB-CE2 4.12Å; A211-F215 WeakPolarHBondContact O-CB 3.27Å; A211-F215 WeakPolarHBondContact O-CD2 3.02Å; A211-F215 WeakPolarHBondContact O-CG 3.5Å; A211-F215 PolarHBondContact O-N 2.77Å
212R98.6Very high97.5Very high28 Ų2855.3 Ų55.311%0.10628%0.276CS..Hα-helixtrans-56.6-43.6176.1-172.8-166.257.974.43.6112.8L208 L210 A216 L232 S235 A236 I239 N253L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 2.91Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.34Å; R212-A216 WeakPolarHBondContact O-CB 3.26Å; R212-A216 PolarHBondContact O-N 2.9Å; R212-A216 VanDerWaalsContact O-N 3.07Å; R212-L232 HydrophobicContact CG-CD1 3.64Å; R212-S235 WeakPolarHBondContact CA-OG 3.37Å; R212-S235 WeakPolarHBondContact CB-OG 3.31Å; R212-A236 HydrophobicContact CG-CB 4.48Å; R212-I239 HydrophobicContact CB-CD1 4.07Å; R212-N253 WeakPolarHBondContact CD-OD1 3.36Å; R212-N253 PolarHBondContact NE-OD1 3Å
213K98.4Very high97.3Very high107 Ų10758.6 Ų58.647%0.46530%0.296SS..Hα-helixtrans-64.2-44.9178.7-71.8169.7-174.7171.80111.1E209 L210 A211 A216 Q217E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.36Å; E209-K213 PolarHBondContact O-N 2.96Å; L210-K213 WeakPolarHBondContact O-CA 3.36Å; L210-K213 WeakPolarHBondContact O-CB 3.41Å; L210-K213 PolarHBondContact O-N 2.92Å; A211-K213 VanDerWaalsContact C-N 3.32Å; A211-K213 PolarHBondContact O-N 2.93Å; K213-A216 WeakPolarHBondContact O-CB 3.36Å; K213-A216 PolarHBondContact O-N 3.41Å; K213-Q217 PolarHBondContact O-N 3.23Å
214Y98.6Very high97.1Very high73 Ų7368 Ų6829%0.28632%0.324SS..Hα-helixtrans-74.5-33.7-178.2-80.2-88.4000113M182 Y195 L210 A211 A216 Q217 A218M182-Y214 HydrophobicContact CE-CD1 4.42Å; M182-Y214 HydrophobicContact CE-CE1 3.9Å; M182-Y214 HydrophobicContact SD-CD1 3.87Å; M182-Y214 HydrophobicContact SD-CE1 3.69Å; Y195-Y214 AromaticContact CD1-CD1 3.71Å; Y195-Y214 HydrophobicContact CD1-CD1 3.71Å; Y195-Y214 AromaticContact CD1-CD2 3.72Å; Y195-Y214 HydrophobicContact CD1-CD2 3.72Å; Y195-Y214 AromaticContact CD1-CE1 3.95Å; Y195-Y214 HydrophobicContact CD1-CE1 3.95Å; Y195-Y214 AromaticContact CD1-CE2 4Å; Y195-Y214 HydrophobicContact CD1-CE2 4Å; Y195-Y214 AromaticContact CD1-CG 3.57Å; Y195-Y214 HydrophobicContact CD1-CG 3.57Å; Y195-Y214 HydrophobicContact CE1-CD1 4.14Å; Y195-Y214 AromaticContact CE1-CD2 3.54Å; Y195-Y214 HydrophobicContact CE1-CD2 3.54Å; Y195-Y214 HydrophobicContact CE1-CE1 4.02Å; Y195-Y214 AromaticContact CE1-CE2 3.43Å; Y195-Y214 HydrophobicContact CE1-CE2 3.43Å; Y195-Y214 VanDerWaalsContact CE1-CE2 3.43Å; Y195-Y214 AromaticContact CE1-CG 3.9Å; Y195-Y214 HydrophobicContact CE1-CG 3.9Å; Y195-Y214 AromaticContact CE1-CZ 3.66Å; L210-Y214 HydrophobicContact CD2-CE2 4.3Å; L210-Y214 WeakPolarHBondContact O-CD2 3.45Å; L210-Y214 PolarHBondContact O-N 3.38Å; A211-Y214 PolarHBondContact O-N 2.69Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.19Å; Y214-Q217 PolarHBondContact O-N 3.18Å; Y214-A218 PolarHBondContact O-N 3.09Å
215F98.8Very high97.1Very high4 Ų466.1 Ų66.12%0.01830%0.302CS..Hα-helixtrans-60.5-43.3167.2-75.3-50.8000111.8A196 E197 A211 Q217 A218 L219 A228 G231 L232A196-F215 HydrophobicContact CB-CB 4.37Å; A196-F215 HydrophobicContact CB-CD1 3.44Å; A196-F215 VanDerWaalsContact CB-CD1 3.44Å; A196-F215 HydrophobicContact CB-CD2 3.73Å; A196-F215 HydrophobicContact CB-CE1 3.51Å; A196-F215 HydrophobicContact CB-CE2 3.78Å; A196-F215 HydrophobicContact CB-CG 3.56Å; A196-F215 HydrophobicContact CB-CZ 3.67Å; E197-F215 HydrophobicContact CB-CZ 4.47Å; E197-F215 HydrophobicContact CG-CE1 3.75Å; E197-F215 HydrophobicContact CG-CZ 3.74Å; A211-F215 HydrophobicContact CB-CD2 4.32Å; A211-F215 HydrophobicContact CB-CE2 4.12Å; A211-F215 WeakPolarHBondContact O-CB 3.27Å; A211-F215 WeakPolarHBondContact O-CD2 3.02Å; A211-F215 WeakPolarHBondContact O-CG 3.5Å; A211-F215 PolarHBondContact O-N 2.77Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3Å; F215-A218 PolarHBondContact O-N 3.38Å; F215-L219 WeakPolarHBondContact O-CG 3.48Å; F215-L219 PolarHBondContact O-N 3.2Å; F215-A228 HydrophobicContact CD1-CB 4.26Å; F215-G231 VanDerWaalsContact CD2-O 3.32Å; F215-G231 WeakPolarHBondContact CD2-O 3.43Å; F215-G231 VanDerWaalsContact CE2-CA 3.4Å; F215-L232 HydrophobicContact CB-CB 4.08Å
216A98.4Very high97.1Very high27 Ų2765.9 Ų65.922%0.22330%0.301CS..Hα-helixtrans-63.2-37.5174.300000112.1R212 K213 Y214 L219 R220 L232R212-A216 WeakPolarHBondContact O-CB 3.26Å; R212-A216 PolarHBondContact O-N 2.9Å; R212-A216 VanDerWaalsContact O-N 3.07Å; K213-A216 WeakPolarHBondContact O-CB 3.36Å; K213-A216 PolarHBondContact O-N 3.41Å; Y214-A216 VanDerWaalsContact C-N 3.34Å; Y214-A216 PolarHBondContact O-N 3.19Å; A216-L219 PolarHBondContact O-N 2.99Å; A216-R220 WeakPolarHBondContact O-CG 3.49Å; A216-R220 PolarHBondContact O-N 3.4Å; A216-L232 HydrophobicContact CB-CD1 4.3Å
217Q98.1Very high97.2Very high64 Ų6465.3 Ų65.330%0.29929%0.292SS..Hα-helixtrans-66.1-44.1175.1-177.962.111.100111.9K213 Y214 F215 L219 R220 L221K213-Q217 PolarHBondContact O-N 3.23Å; Y214-Q217 PolarHBondContact O-N 3.18Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3Å; Q217-L219 VanDerWaalsContact C-N 3.28Å; Q217-L219 PolarHBondContact O-N 3.42Å; Q217-R220 WeakPolarHBondContact O-CB 3.24Å; Q217-R220 PolarHBondContact O-N 3.12Å; Q217-L221 WeakPolarHBondContact O-CG 3.3Å; Q217-L221 PolarHBondContact O-N 3.24Å
218A98.2Very high97.2Very high0 Ų063.2 Ų63.20%028%0.281CS..Hα-helixtrans-57.4-41.6173.900000111.5C192 E193 Y214 F215 R220 L221 N222 A228C192-A218 HydrophobicContact CB-CB 3.87Å; E193-A218 HydrophobicContact CB-CB 4.13Å; Y214-A218 PolarHBondContact O-N 3.09Å; F215-A218 PolarHBondContact O-N 3.38Å; A218-R220 VanDerWaalsContact C-N 3.34Å; A218-R220 PolarHBondContact O-N 3.14Å; A218-L221 PolarHBondContact O-N 2.96Å; A218-N222 PolarHBondContact O-N 2.95Å; A218-A228 HydrophobicContact CB-CB 3.8Å
219L97.9Very high97.2Very high16 Ų1662.9 Ų62.98%0.08428%0.279CS..Hα-helixtrans-67.8-29.5175.2-71.7169.5000114F215 A216 Q217 N222 N223 N225 A228 L229 L232 W259F215-L219 WeakPolarHBondContact O-CG 3.48Å; F215-L219 PolarHBondContact O-N 3.2Å; A216-L219 PolarHBondContact O-N 2.99Å; Q217-L219 VanDerWaalsContact C-N 3.28Å; Q217-L219 PolarHBondContact O-N 3.42Å; L219-N222 WeakPolarHBondContact CA-O 3.44Å; L219-N222 CarbonylContact O-C 3.31Å; L219-N222 VanDerWaalsContact O-C 3.31Å; L219-N223 VanDerWaalsContact O-CA 3.31Å; L219-N223 WeakPolarHBondContact O-CA 3.46Å; L219-N223 PolarHBondContact O-N 3.08Å; L219-N225 WeakPolarHBondContact CD2-O 3.45Å; L219-A228 HydrophobicContact CD2-CB 3.97Å; L219-A228 HydrophobicContact CG-CB 3.85Å; L219-L229 HydrophobicContact CD1-CD1 3.93Å; L219-L229 HydrophobicContact CD2-CB 4.02Å; L219-L229 HydrophobicContact CD2-CD1 4.2Å; L219-L232 HydrophobicContact CD1-CB 4.06Å; L219-L232 HydrophobicContact CD1-CD2 3.6Å; L219-L232 HydrophobicContact CD1-CG 4.47Å; L219-W259 HydrophobicContact CD1-CZ3 4.24Å
220R97.3Very high97.3Very high206 Ų20663.5 Ų63.578%0.77728%0.281SS*.Hα-helixtrans-69.6-36.1172.9-74178.569.8-167.33.6111.7A216 Q217 A218A216-R220 WeakPolarHBondContact O-CG 3.49Å; A216-R220 PolarHBondContact O-N 3.4Å; Q217-R220 WeakPolarHBondContact O-CB 3.24Å; Q217-R220 PolarHBondContact O-N 3.12Å; A218-R220 VanDerWaalsContact C-N 3.34Å; A218-R220 PolarHBondContact O-N 3.14Å
221L96.4Very high97.3Very high55 Ų5561.3 Ų61.329%0.28827%0.272SS..Hα-helixtrans-75.9-41.6176.9-66.3172.7000111.5H189 Q217 A218H189-L221 HydrophobicContact CB-CB 3.67Å; H189-L221 HydrophobicContact CB-CD1 4.35Å; Q217-L221 WeakPolarHBondContact O-CG 3.3Å; Q217-L221 PolarHBondContact O-N 3.24Å; A218-L221 PolarHBondContact O-N 2.96Å
222N96.4Very high97.3Very high50 Ų5061.5 Ų61.527%0.26727%0.273SS..  trans-140.5105174.7-177.4-6000111.2H189 A218 L219 R224 N225H189-N222 HydrophobicContact CB-CB 3.88Å; H189-N222 WeakPolarHBondContact CD2-CB 3.27Å; H189-N222 PolarHBondContact CD2-ND2 3.15Å; H189-N222 PolarHBondContact CE1-ND2 3.26Å; H189-N222 PolarHBondContact NE2-ND2 2.97Å; A218-N222 PolarHBondContact O-N 2.95Å; L219-N222 WeakPolarHBondContact CA-O 3.44Å; L219-N222 CarbonylContact O-C 3.31Å; L219-N222 VanDerWaalsContact O-C 3.31Å; N222-R224 PolarHBondContact O-N 2.79Å; N222-R224 WeakPolarHBondContact OD1-CB 3.46Å; N222-R224 PolarHBondContact OD1-N 3.21Å; N222-N225 HydrophobicContact CB-CB 4.42Å; N222-N225 WeakPolarHBondContact O-CB 3.4Å; N222-N225 PolarHBondContact O-N 2.98Å
223N93.3Very high97.3Very high132 Ų13264.2 Ų64.271%0.70628%0.284SS*.THydrogen-bonded Turntrans-73.9-5.3-177.967.319000114.7L219L219-N223 VanDerWaalsContact O-CA 3.31Å; L219-N223 WeakPolarHBondContact O-CA 3.46Å; L219-N223 PolarHBondContact O-N 3.08Å
224R91.6Very high97.3Very high217 Ų21762.7 Ų62.782%0.81928%0.279SS*.THydrogen-bonded Turntrans-98.1-1.6175.2-59.9-173.4177.9174.9-0.7112.9N222 M226N222-R224 PolarHBondContact O-N 2.79Å; N222-R224 WeakPolarHBondContact OD1-CB 3.46Å; N222-R224 PolarHBondContact OD1-N 3.21Å; R224-M226 PolarHBondContact O-N 3.11Å
225N95.4Very high97.3Very high13 Ų1359.2 Ų59.27%0.0727%0.265CS..  trans-68.8101.3178.9-174-24.6000110.7H189 E193 L219 N222 R227 A228 L229H189-N225 PolarHBondContact ND1-ND2 3.48Å; H189-N225 VanDerWaalsContact ND1-ND2 3.1Å; E193-N225 PolarHBondContact OE2-ND2 2.95Å; E193-N225 PolarHBondContact OE2-OD1 2.84Å; L219-N225 WeakPolarHBondContact CD2-O 3.45Å; N222-N225 HydrophobicContact CB-CB 4.42Å; N222-N225 WeakPolarHBondContact O-CB 3.4Å; N222-N225 PolarHBondContact O-N 2.98Å; N225-R227 PolarHBondContact OD1-N 2.72Å; N225-R227 VanDerWaalsContact OD1-N 3.1Å; N225-A228 HydrophobicContact CB-CB 3.99Å; N225-A228 PolarHBondContact O-N 3.13Å; N225-A228 PolarHBondContact OD1-N 3.47Å; N225-L229 PolarHBondContact O-N 2.89Å; N225-L229 VanDerWaalsContact O-N 3.11Å
226M96.4Very high97.3Very high51 Ų5159 Ų5925%0.25127%0.265SS..Hα-helixtrans-67.7-37.7-178.1-169.857.970.200112.4R224 L229 F230 A267R224-M226 PolarHBondContact O-N 3.11Å; M226-L229 WeakPolarHBondContact O-CB 3.36Å; M226-L229 PolarHBondContact O-N 3.48Å; M226-L229 VanDerWaalsContact O-N 3.13Å; M226-L229 HydrophobicContact SD-CD2 4.24Å; M226-F230 HydrophobicContact CG-CD2 3.75Å; M226-F230 HydrophobicContact CG-CE2 3.61Å; M226-F230 WeakPolarHBondContact O-CD2 3.2Å; M226-F230 PolarHBondContact O-N 2.95Å; M226-F230 HydrophobicContact SD-CD2 3.9Å; M226-F230 HydrophobicContact SD-CE2 3.56Å; M226-F230 VanDerWaalsContact SD-CE2 3.56Å; M226-A267 HydrophobicContact CE-CB 3.58Å
227R97.8Very high97.3Very high147 Ų14759.2 Ų59.256%0.55526%0.264SS*.Hα-helixtrans-61-46.9177.3-68.3-178.265.3103.9-1.4110.6E193 E197 N225 L229 F230 G231E193-R227 HydrophobicContact CG-CB 4.12Å; E193-R227 VanDerWaalsContact OE1-CB 3.31Å; E193-R227 WeakPolarHBondContact OE1-CB 3.39Å; E193-R227 WeakPolarHBondContact OE1-CD 3.48Å; E193-R227 IonicContact OE1-CZ 3.41Å; E193-R227 IonicContact OE1-NE 2.88Å; E193-R227 PolarHBondContact OE1-NE 3.39Å; E197-R227 IonicContact OE1-CZ 2.93Å; E197-R227 VanDerWaalsContact OE1-CZ 3.26Å; E197-R227 IonicContact OE1-NE 3.14Å; E197-R227 PolarHBondContact OE1-NE 3.48Å; E197-R227 IonicContact OE1-NH2 2.76Å; E197-R227 PolarHBondContact OE1-NH2 2.96Å; E197-R227 IonicContact OE2-CZ 3.29Å; E197-R227 IonicContact OE2-NH2 2.74Å; E197-R227 PolarHBondContact OE2-NH2 3.46Å; N225-R227 PolarHBondContact OD1-N 2.72Å; N225-R227 VanDerWaalsContact OD1-N 3.1Å; R227-L229 VanDerWaalsContact C-N 3.28Å; R227-L229 PolarHBondContact O-N 2.92Å; R227-F230 PolarHBondContact O-N 3.14Å; R227-G231 PolarHBondContact O-N 3.07Å
228A98.2Very high97.3Very high0 Ų060.4 Ų60.40%027%0.27CS..Hα-helixtrans-63.4-33.1175.100000113E193 F215 A218 L219 N225 G231 L232E193-A228 HydrophobicContact CG-CB 4.38Å; F215-A228 HydrophobicContact CD1-CB 4.26Å; A218-A228 HydrophobicContact CB-CB 3.8Å; L219-A228 HydrophobicContact CD2-CB 3.97Å; L219-A228 HydrophobicContact CG-CB 3.85Å; N225-A228 HydrophobicContact CB-CB 3.99Å; N225-A228 PolarHBondContact O-N 3.13Å; N225-A228 PolarHBondContact OD1-N 3.47Å; A228-G231 PolarHBondContact O-N 3.46Å; A228-L232 WeakPolarHBondContact O-CB 3.43Å; A228-L232 PolarHBondContact O-N 3.11Å
229L97.9Very high97.3Very high11 Ų1160.4 Ų60.46%0.05827%0.27CS..Hα-helixtrans-69.3-45.2178.3-167.161.6000112.6L219 N225 M226 R227 L232 Y233 W259 A260 Q263 I264L219-L229 HydrophobicContact CD1-CD1 3.93Å; L219-L229 HydrophobicContact CD2-CB 4.02Å; L219-L229 HydrophobicContact CD2-CD1 4.2Å; N225-L229 PolarHBondContact O-N 2.89Å; N225-L229 VanDerWaalsContact O-N 3.11Å; M226-L229 WeakPolarHBondContact O-CB 3.36Å; M226-L229 PolarHBondContact O-N 3.48Å; M226-L229 VanDerWaalsContact O-N 3.13Å; M226-L229 HydrophobicContact SD-CD2 4.24Å; R227-L229 VanDerWaalsContact C-N 3.28Å; R227-L229 PolarHBondContact O-N 2.92Å; L229-L232 PolarHBondContact O-N 3.24Å; L229-Y233 PolarHBondContact O-N 3.44Å; L229-W259 HydrophobicContact CD1-CZ3 4Å; L229-A260 HydrophobicContact CD1-CB 4.2Å; L229-Q263 HydrophobicContact CD1-CB 3.91Å; L229-Q263 HydrophobicContact CD1-CG 4.47Å; L229-Q263 HydrophobicContact CD2-CB 3.77Å; L229-Q263 HydrophobicContact CG-CB 4.42Å; L229-I264 HydrophobicContact CB-CG1 4.45Å; L229-I264 HydrophobicContact CD2-CB 4.3Å; L229-I264 HydrophobicContact CD2-CG1 3.45Å; L229-I264 VanDerWaalsContact CD2-CG1 3.45Å; L229-I264 HydrophobicContact CG-CD1 4.24Å; L229-I264 HydrophobicContact CG-CG1 3.57Å
230F98.6Very high97.3Very high77 Ų7760.1 Ų60.134%0.33827%0.27SS..Hα-helixtrans-64.2-42.9171.5-82-72000111.4M226 R227 L232 Y233 M234 I264 Y268M226-F230 HydrophobicContact CG-CD2 3.75Å; M226-F230 HydrophobicContact CG-CE2 3.61Å; M226-F230 WeakPolarHBondContact O-CD2 3.2Å; M226-F230 PolarHBondContact O-N 2.95Å; M226-F230 HydrophobicContact SD-CD2 3.9Å; M226-F230 HydrophobicContact SD-CE2 3.56Å; M226-F230 VanDerWaalsContact SD-CE2 3.56Å; R227-F230 PolarHBondContact O-N 3.14Å; F230-L232 VanDerWaalsContact C-N 3.33Å; F230-L232 PolarHBondContact O-N 2.96Å; F230-Y233 WeakPolarHBondContact O-CB 3.35Å; F230-Y233 PolarHBondContact O-N 3.21Å; F230-Y233 VanDerWaalsContact O-N 3.14Å; F230-M234 WeakPolarHBondContact O-CB 3.27Å; F230-M234 VanDerWaalsContact O-CG 3.27Å; F230-M234 WeakPolarHBondContact O-CG 3.32Å; F230-M234 PolarHBondContact O-N 3.47Å; F230-I264 HydrophobicContact CD1-CD1 3.79Å; F230-I264 HydrophobicContact CE1-CD1 3.87Å; F230-I264 HydrophobicContact CE1-CG2 4.05Å; F230-I264 HydrophobicContact CE2-CG2 4.44Å; F230-I264 HydrophobicContact CG-CD1 4.26Å; F230-I264 HydrophobicContact CZ-CD1 4.4Å; F230-I264 HydrophobicContact CZ-CG2 3.76Å; F230-Y268 HydrophobicContact CE2-CE2 4.44Å; F230-Y268 HydrophobicContact CZ-CE2 4.1Å
231G98.5Very high97.2Very high9 Ų954 Ų549%0.09326%0.263CS..Hα-helixtrans-57.1-44.4175.700000112.7F215 R227 A228 M234 S235F215-G231 VanDerWaalsContact CD2-O 3.32Å; F215-G231 WeakPolarHBondContact CD2-O 3.43Å; F215-G231 VanDerWaalsContact CE2-CA 3.4Å; R227-G231 PolarHBondContact O-N 3.07Å; A228-G231 PolarHBondContact O-N 3.46Å; G231-M234 PolarHBondContact O-N 3.4Å; G231-S235 VanDerWaalsContact O-CB 3.27Å; G231-S235 WeakPolarHBondContact O-CB 3.09Å; G231-S235 PolarHBondContact O-N 2.95Å; G231-S235 PolarHBondContact O-OG 2.67Å
232L98.7Very high97.1Very high4 Ų452.2 Ų52.22%0.02126%0.255CS..Hα-helixtrans-62.1-45.1174.4178.862.8000111.8R212 F215 A216 L219 A228 L229 F230 S235 A236 W259 A260R212-L232 HydrophobicContact CG-CD1 3.64Å; F215-L232 HydrophobicContact CB-CB 4.08Å; A216-L232 HydrophobicContact CB-CD1 4.3Å; L219-L232 HydrophobicContact CD1-CB 4.06Å; L219-L232 HydrophobicContact CD1-CD2 3.6Å; L219-L232 HydrophobicContact CD1-CG 4.47Å; A228-L232 WeakPolarHBondContact O-CB 3.43Å; A228-L232 PolarHBondContact O-N 3.11Å; L229-L232 PolarHBondContact O-N 3.24Å; F230-L232 VanDerWaalsContact C-N 3.33Å; F230-L232 PolarHBondContact O-N 2.96Å; L232-S235 PolarHBondContact O-OG 3.19Å; L232-A236 WeakPolarHBondContact O-CB 3.47Å; L232-A236 PolarHBondContact O-N 2.92Å; L232-W259 HydrophobicContact CD2-CE3 3.91Å; L232-W259 HydrophobicContact CD2-CZ3 3.65Å; L232-A260 HydrophobicContact CD2-CB 4.22Å; L232-A260 HydrophobicContact CG-CB 4.24Å
233Y98.6Very high96.9Very high86 Ų8655.9 Ų55.934%0.33728%0.281SS..Hα-helixtrans-60.3-49.8177.2169.9-102.8000111.8L229 F230 S237 A257 A261 I264L229-Y233 PolarHBondContact O-N 3.44Å; F230-Y233 WeakPolarHBondContact O-CB 3.35Å; F230-Y233 PolarHBondContact O-N 3.21Å; F230-Y233 VanDerWaalsContact O-N 3.14Å; Y233-S237 VanDerWaalsContact O-CB 3.24Å; Y233-S237 WeakPolarHBondContact O-CB 3.41Å; Y233-S237 PolarHBondContact O-N 3.26Å; Y233-S237 PolarHBondContact O-OG 3.33Å; Y233-A257 HydrophobicContact CD2-CB 4.27Å; Y233-A257 WeakPolarHBondContact CD2-O 3.31Å; Y233-A261 HydrophobicContact CD2-CB 4.01Å; Y233-A261 HydrophobicContact CE2-CB 3.99Å; Y233-I264 HydrophobicContact CG-CD1 4.39Å
234M98.6Very high96.8Very high75 Ų7558.3 Ų58.337%0.36929%0.286SS..Hα-helixtrans-66.9-47.6-176.3-68.4-59.6-7000111.7Y200 F230 G231 S237 H238Y200-M234 HydrophobicContact CE2-CB 4.11Å; F230-M234 WeakPolarHBondContact O-CB 3.27Å; F230-M234 VanDerWaalsContact O-CG 3.27Å; F230-M234 WeakPolarHBondContact O-CG 3.32Å; F230-M234 PolarHBondContact O-N 3.47Å; G231-M234 PolarHBondContact O-N 3.4Å; M234-S237 PolarHBondContact O-N 3.1Å; M234-H238 WeakPolarHBondContact O-CB 3.47Å; M234-H238 PolarHBondContact O-CD2 3.41Å; M234-H238 PolarHBondContact O-N 3.46Å
235S98.4Very high96.9Very high0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-61.7-47.6177.6570000111.9R212 G231 L232 S237 H238 I239R212-S235 WeakPolarHBondContact CA-OG 3.37Å; R212-S235 WeakPolarHBondContact CB-OG 3.31Å; G231-S235 VanDerWaalsContact O-CB 3.27Å; G231-S235 WeakPolarHBondContact O-CB 3.09Å; G231-S235 PolarHBondContact O-N 2.95Å; G231-S235 PolarHBondContact O-OG 2.67Å; L232-S235 PolarHBondContact O-OG 3.19Å; S235-S237 PolarHBondContact O-N 3.02Å; S235-H238 PolarHBondContact O-N 3.49Å; S235-I239 WeakPolarHBondContact O-CD1 3.44Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 3Å
236A98.6Very high96.9Very high0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-63.4-41.7177.400000112.2R212 L232 I239 A240 N253 A257R212-A236 HydrophobicContact CG-CB 4.48Å; L232-A236 WeakPolarHBondContact O-CB 3.47Å; L232-A236 PolarHBondContact O-N 2.92Å; A236-I239 PolarHBondContact O-N 2.98Å; A236-A240 WeakPolarHBondContact O-CB 3.37Å; A236-A240 PolarHBondContact O-N 3.47Å; A236-N253 HydrophobicContact CB-CB 4.45Å; A236-N253 WeakPolarHBondContact O-CB 3.3Å; A236-A257 HydrophobicContact CB-CB 4.01Å
237S98.4Very high96.9Very high31 Ų3153.4 Ų53.422%0.21730%0.295CS..Hα-helixtrans-63.5-43.8178.1-60.70000111.9Y233 M234 S235 A240 A241 A257Y233-S237 VanDerWaalsContact O-CB 3.24Å; Y233-S237 WeakPolarHBondContact O-CB 3.41Å; Y233-S237 PolarHBondContact O-N 3.26Å; Y233-S237 PolarHBondContact O-OG 3.33Å; M234-S237 PolarHBondContact O-N 3.1Å; S235-S237 PolarHBondContact O-N 3.02Å; S237-A240 PolarHBondContact O-N 2.82Å; S237-A241 WeakPolarHBondContact O-CB 3.23Å; S237-A241 PolarHBondContact O-N 3.24Å; S237-A257 WeakPolarHBondContact OG-CB 3.41Å
238H98.1Very high96.8Very high89 Ų8953.9 Ų53.941%0.41230%0.301SS..Hα-helixtrans-63.3-43.9176.6-79.3-157.8000112.1Y200 L208 M234 S235 A240 A241 S242Y200-H238 AromaticContact CZ-CE1 3.98Å; Y200-H238 AromaticContact CZ-ND1 3.83Å; Y200-H238 PolarHBondContact OH-CE1 3.27Å; Y200-H238 PolarHBondContact OH-ND1 2.94Å; Y200-H238 VanDerWaalsContact OH-ND1 3.09Å; L208-H238 HydrophobicContact CD1-CB 4.28Å; M234-H238 WeakPolarHBondContact O-CB 3.47Å; M234-H238 PolarHBondContact O-CD2 3.41Å; M234-H238 PolarHBondContact O-N 3.46Å; S235-H238 PolarHBondContact O-N 3.49Å; H238-A240 VanDerWaalsContact C-N 3.34Å; H238-A240 PolarHBondContact O-N 3.3Å; H238-A241 PolarHBondContact O-N 3Å; H238-S242 PolarHBondContact O-N 3.48Å
239I97.9Very high96.7Very high0 Ų055.8 Ų55.80%031%0.313CS..Hα-helixtrans-61.9-44.1176.5-64.9160.7000110.6L208 E209 R212 S235 A236 A241 S242 V245 V249 N253L208-I239 HydrophobicContact CB-CD1 4.28Å; L208-I239 HydrophobicContact CB-CG1 3.91Å; E209-I239 HydrophobicContact CG-CD1 4.08Å; R212-I239 HydrophobicContact CB-CD1 4.07Å; S235-I239 WeakPolarHBondContact O-CD1 3.44Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 3Å; A236-I239 PolarHBondContact O-N 2.98Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 2.77Å; I239-S242 WeakPolarHBondContact O-CB 3.36Å; I239-S242 PolarHBondContact O-N 2.93Å; I239-V245 HydrophobicContact CG2-CG1 4.13Å; I239-V245 WeakPolarHBondContact O-CG2 3.47Å; I239-V249 HydrophobicContact CG2-CG1 3.82Å; I239-N253 HydrophobicContact CB-CB 4.34Å; I239-N253 HydrophobicContact CG2-CB 4.22Å; I239-N253 VanDerWaalsContact CG2-ND2 3.34Å; I239-N253 WeakPolarHBondContact CG2-ND2 3.44Å
240A97.6Very high96.6Very high10 Ų1059.9 Ų59.98%0.08333%0.33CS..Hα-helixtrans-66.5-31179.700000113.7A236 S237 H238 S242 K250 N253 I254A236-A240 WeakPolarHBondContact O-CB 3.37Å; A236-A240 PolarHBondContact O-N 3.47Å; S237-A240 PolarHBondContact O-N 2.82Å; H238-A240 VanDerWaalsContact C-N 3.34Å; H238-A240 PolarHBondContact O-N 3.3Å; A240-S242 VanDerWaalsContact C-N 3.32Å; A240-K250 VanDerWaalsContact O-CE 3.28Å; A240-K250 WeakPolarHBondContact O-CE 3.47Å; A240-K250 WeakPolarHBondContact O-CG 3.27Å; A240-N253 HydrophobicContact CB-CB 3.95Å; A240-I254 HydrophobicContact CB-CG1 3.83Å
241A96.6Very high96.6Very high78 Ų7862.7 Ų62.765%0.64534%0.342SS*.Hα-helixtrans-75.9-20.8177.700000113S237 H238 I239S237-A241 WeakPolarHBondContact O-CB 3.23Å; S237-A241 PolarHBondContact O-N 3.24Å; H238-A241 PolarHBondContact O-N 3Å; I239-A241 VanDerWaalsContact C-N 3.32Å; I239-A241 PolarHBondContact O-N 2.77Å
242S94.6Very high96.5Very high17 Ų1764.9 Ų64.912%0.11935%0.351CS..  trans-67.2132.1-177.1-176.50000112.1M205 H238 I239 A240 K244 V245M205-S242 VanDerWaalsContact CE-OG 3.23Å; M205-S242 WeakPolarHBondContact CE-OG 3.29Å; M205-S242 PolarHBondContact SD-OG 2.84Å; H238-S242 PolarHBondContact O-N 3.48Å; I239-S242 WeakPolarHBondContact O-CB 3.36Å; I239-S242 PolarHBondContact O-N 2.93Å; A240-S242 VanDerWaalsContact C-N 3.32Å; S242-K244 PolarHBondContact O-N 2.96Å; S242-K244 PolarHBondContact OG-N 3.28Å; S242-V245 WeakPolarHBondContact O-CG2 3.49Å
243P91.7Very high96.5Very high126 Ų12664.9 Ų64.982%0.81835%0.352SS*.THydrogen-bonded Turntrans-74-12.5174.630.5-34.6000112.7
244K91.1Very high96.5Very high183 Ų18365.2 Ų65.280%0.79636%0.358SS*.THydrogen-bonded Turntrans-85.4-9.2-174-61.5-177.6179.5179.90113.8S242S242-K244 PolarHBondContact O-N 2.96Å; S242-K244 PolarHBondContact OG-N 3.28Å
245V93.5Very high96.5Very high27 Ų2767.2 Ų67.216%0.16437%0.365CS..SBendtrans-91.6151.5-177-58.70000112.3M205 I239 S242 V249 K250M205-V245 HydrophobicContact CE-CG1 3.2Å; I239-V245 HydrophobicContact CG2-CG1 4.13Å; I239-V245 WeakPolarHBondContact O-CG2 3.47Å; S242-V245 WeakPolarHBondContact O-CG2 3.49Å; V245-V249 HydrophobicContact CB-CB 4.15Å; V245-V249 HydrophobicContact CB-CG1 3.87Å; V245-V249 HydrophobicContact CG1-CG1 4.1Å; V245-V249 HydrophobicContact CG2-CG1 4.37Å; V245-K250 HydrophobicContact CG2-CB 3.96Å
246S95.7Very high96.5Very high67 Ų6772.1 Ų72.147%0.46938%0.384SS..  trans-62.4154.6173.572.80000111.9K248 V249 K250S246-K248 PolarHBondContact O-N 2.83Å; S246-V249 PolarHBondContact O-N 3.22Å; S246-V249 VanDerWaalsContact O-N 3.13Å; S246-V249 VanDerWaalsContact OG-CG2 3.31Å; S246-V249 WeakPolarHBondContact OG-CG2 3.47Å; S246-V249 PolarHBondContact OG-N 3.32Å; S246-K250 PolarHBondContact O-N 3.34Å
247A95.9Very high96.5Very high85 Ų8572.6 Ų72.670%0.70239%0.388SS*.Hα-helixtrans-56.6-33.8176.800000112.9K251A247-K251 WeakPolarHBondContact O-CB 3.42Å; A247-K251 PolarHBondContact O-N 3.4Å
248K96.3Very high96.5Very high157 Ų15774 Ų7468%0.68340%0.401SS*.Hα-helixtrans-64.6-53.2175-177.7179.8177.3-176.30111.1S246 K250 K251 D252S246-K248 PolarHBondContact O-N 2.83Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 3.07Å; K248-K251 PolarHBondContact O-N 2.62Å; K248-K251 VanDerWaalsContact O-N 3.17Å; K248-D252 PolarHBondContact O-N 3Å
249V95.4Very high96.5Very high40 Ų4075.8 Ų75.824%0.24240%0.404CS..Hα-helixtrans-58.5-43.8178.7171.20000110.4I239 V245 S246 K251 D252 N253I239-V249 HydrophobicContact CG2-CG1 3.82Å; V245-V249 HydrophobicContact CB-CB 4.15Å; V245-V249 HydrophobicContact CB-CG1 3.87Å; V245-V249 HydrophobicContact CG1-CG1 4.1Å; V245-V249 HydrophobicContact CG2-CG1 4.37Å; S246-V249 PolarHBondContact O-N 3.22Å; S246-V249 VanDerWaalsContact O-N 3.13Å; S246-V249 VanDerWaalsContact OG-CG2 3.31Å; S246-V249 WeakPolarHBondContact OG-CG2 3.47Å; S246-V249 PolarHBondContact OG-N 3.32Å; V249-K251 PolarHBondContact O-N 3.02Å; V249-D252 PolarHBondContact O-N 2.83Å; V249-N253 WeakPolarHBondContact CG1-ND2 3.47Å; V249-N253 WeakPolarHBondContact O-CB 3.46Å; V249-N253 PolarHBondContact O-N 3.05Å; V249-N253 PolarHBondContact O-ND2 3.18Å
250K96.9Very high96.5Very high97 Ų9775.8 Ų75.842%0.42240%0.404SS..Hα-helixtrans-57-51.4174.9-177.7165.6-177.2170.50112.1A240 V245 S246 K248 D252 N253 I254A240-K250 VanDerWaalsContact O-CE 3.28Å; A240-K250 WeakPolarHBondContact O-CE 3.47Å; A240-K250 WeakPolarHBondContact O-CG 3.27Å; V245-K250 HydrophobicContact CG2-CB 3.96Å; S246-K250 PolarHBondContact O-N 3.34Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 3.07Å; K250-D252 PolarHBondContact O-N 3.38Å; K250-N253 PolarHBondContact O-N 3Å; K250-I254 HydrophobicContact CG-CD1 4.07Å; K250-I254 VanDerWaalsContact O-CG1 3.31Å; K250-I254 WeakPolarHBondContact O-CG1 3.46Å; K250-I254 PolarHBondContact O-N 3.02Å
251K97.7Very high96.5Very high135 Ų13576.7 Ų76.759%0.58741%0.412SS*.Hα-helixtrans-61.8-41.4-179.3-174.6177.2-177.9177.10112.4A247 K248 V249 I254 K255A247-K251 WeakPolarHBondContact O-CB 3.42Å; A247-K251 PolarHBondContact O-N 3.4Å; K248-K251 PolarHBondContact O-N 2.62Å; K248-K251 VanDerWaalsContact O-N 3.17Å; V249-K251 PolarHBondContact O-N 3.02Å; K251-I254 PolarHBondContact O-N 3.15Å; K251-K255 WeakPolarHBondContact O-CG 3.4Å; K251-K255 PolarHBondContact O-N 2.78Å
252D97.1Very high96.6Very high55 Ų5575.4 Ų75.429%0.29440%0.401SS..Hα-helixtrans-68.1-40.2179.5-68.6-22.2000111.3K248 V249 K250 K255 Y256K248-D252 PolarHBondContact O-N 3Å; V249-D252 PolarHBondContact O-N 2.83Å; K250-D252 PolarHBondContact O-N 3.38Å; D252-K255 WeakPolarHBondContact O-CB 3.39Å; D252-K255 PolarHBondContact O-N 2.91Å; D252-K255 VanDerWaalsContact O-N 3.16Å; D252-K255 IonicContact OD1-NZ 3.77Å; D252-Y256 WeakPolarHBondContact O-CD2 3.43Å; D252-Y256 PolarHBondContact O-N 3.21Å
253N98.1Very high96.7Very high5 Ų577.4 Ų77.43%0.02741%0.409CS..Hα-helixtrans-69-33.7176.6-78.8-79.2000113.5R212 A236 I239 A240 V249 K250 K255 Y256 A257R212-N253 WeakPolarHBondContact CD-OD1 3.36Å; R212-N253 PolarHBondContact NE-OD1 3Å; A236-N253 HydrophobicContact CB-CB 4.45Å; A236-N253 WeakPolarHBondContact O-CB 3.3Å; I239-N253 HydrophobicContact CB-CB 4.34Å; I239-N253 HydrophobicContact CG2-CB 4.22Å; I239-N253 VanDerWaalsContact CG2-ND2 3.34Å; I239-N253 WeakPolarHBondContact CG2-ND2 3.44Å; A240-N253 HydrophobicContact CB-CB 3.95Å; V249-N253 WeakPolarHBondContact CG1-ND2 3.47Å; V249-N253 WeakPolarHBondContact O-CB 3.46Å; V249-N253 PolarHBondContact O-N 3.05Å; V249-N253 PolarHBondContact O-ND2 3.18Å; K250-N253 PolarHBondContact O-N 3Å; N253-K255 VanDerWaalsContact C-N 3.27Å; N253-K255 PolarHBondContact O-N 3.04Å; N253-Y256 PolarHBondContact O-N 3.09Å; N253-A257 WeakPolarHBondContact O-CB 3.38Å; N253-A257 PolarHBondContact O-N 3.45Å
254I98.4Very high96.9Very high92 Ų9272.1 Ų72.147%0.47237%0.373SS..Hα-helixtrans-58.9-41.1169.6-69.7167.1000110.6A240 K250 K251 A258A240-I254 HydrophobicContact CB-CG1 3.83Å; K250-I254 HydrophobicContact CG-CD1 4.07Å; K250-I254 VanDerWaalsContact O-CG1 3.31Å; K250-I254 WeakPolarHBondContact O-CG1 3.46Å; K250-I254 PolarHBondContact O-N 3.02Å; K251-I254 PolarHBondContact O-N 3.15Å; I254-A258 VanDerWaalsContact O-CB 3.28Å; I254-A258 WeakPolarHBondContact O-CB 3.44Å; I254-A258 PolarHBondContact O-N 3.48Å
255K98.4Very high97.1Very high118 Ų11868.1 Ų68.151%0.51336%0.361SS..Hα-helixtrans-66.6-43.7177-65.4171-176.9170.20112K251 D252 N253 A258 W259K251-K255 WeakPolarHBondContact O-CG 3.4Å; K251-K255 PolarHBondContact O-N 2.78Å; D252-K255 WeakPolarHBondContact O-CB 3.39Å; D252-K255 PolarHBondContact O-N 2.91Å; D252-K255 VanDerWaalsContact O-N 3.16Å; D252-K255 IonicContact OD1-NZ 3.77Å; N253-K255 VanDerWaalsContact C-N 3.27Å; N253-K255 PolarHBondContact O-N 3.04Å; K255-A258 PolarHBondContact O-N 3.48Å; K255-W259 WeakPolarHBondContact O-CB 3.46Å; K255-W259 PolarHBondContact O-N 3.46Å
256Y98.1Very high97.2Very high103 Ų10374.8 Ų74.840%0.40438%0.383SS..Hα-helixtrans-59.7-47.4175.9-74.4-60.5000111.5D252 N253 W259 A260D252-Y256 WeakPolarHBondContact O-CD2 3.43Å; D252-Y256 PolarHBondContact O-N 3.21Å; N253-Y256 PolarHBondContact O-N 3.09Å; Y256-W259 PolarHBondContact O-N 3.33Å; Y256-A260 WeakPolarHBondContact O-CB 3.28Å; Y256-A260 PolarHBondContact O-N 2.88Å
257A98.5Very high97Very high10 Ų1073 Ų738%0.08337%0.372CS..Hα-helixtrans-61.9-45.8177.700000111.9Y233 A236 S237 N253 W259 A260 A261Y233-A257 HydrophobicContact CD2-CB 4.27Å; Y233-A257 WeakPolarHBondContact CD2-O 3.31Å; A236-A257 HydrophobicContact CB-CB 4.01Å; S237-A257 WeakPolarHBondContact OG-CB 3.41Å; N253-A257 WeakPolarHBondContact O-CB 3.38Å; N253-A257 PolarHBondContact O-N 3.45Å; A257-W259 PolarHBondContact O-N 3.33Å; A257-A260 PolarHBondContact O-N 2.89Å; A257-A261 WeakPolarHBondContact O-CB 3.34Å; A257-A261 PolarHBondContact O-N 3.1Å
258A98.4Very high96.8Very high59 Ų5974.1 Ų74.149%0.48836%0.359SS..Hα-helixtrans-62.7-41.4177.700000112.4I254 K255 A262I254-A258 VanDerWaalsContact O-CB 3.28Å; I254-A258 WeakPolarHBondContact O-CB 3.44Å; I254-A258 PolarHBondContact O-N 3.48Å; K255-A258 PolarHBondContact O-N 3.48Å; A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 3.47Å
259W98.1Very high96.6Very high127 Ų12773.5 Ų73.548%0.48136%0.356SS..Hα-helixtrans-62.5-48.4175177.288.5000111.4L219 L229 L232 K255 Y256 A257 A261 A262 Q263L219-W259 HydrophobicContact CD1-CZ3 4.24Å; L229-W259 HydrophobicContact CD1-CZ3 4Å; L232-W259 HydrophobicContact CD2-CE3 3.91Å; L232-W259 HydrophobicContact CD2-CZ3 3.65Å; K255-W259 WeakPolarHBondContact O-CB 3.46Å; K255-W259 PolarHBondContact O-N 3.46Å; Y256-W259 PolarHBondContact O-N 3.33Å; A257-W259 PolarHBondContact O-N 3.33Å; W259-A261 PolarHBondContact O-N 3.04Å; W259-A262 PolarHBondContact O-N 3.39Å; W259-Q263 HydrophobicContact CD2-CG 4.05Å; W259-Q263 HydrophobicContact CE3-CG 4.24Å; W259-Q263 HydrophobicContact CH2-CG 3.87Å; W259-Q263 HydrophobicContact CZ2-CG 3.66Å; W259-Q263 HydrophobicContact CZ3-CG 4.15Å; W259-Q263 WeakPolarHBondContact O-CG 2.95Å; W259-Q263 PolarHBondContact O-N 3.22Å
260A98.1Very high96.2Very high0 Ų075.1 Ų75.10%037%0.366CS..Hα-helixtrans-61.2-45.8179.500000111L229 L232 Y256 A257 A262 Q263 I264L229-A260 HydrophobicContact CD1-CB 4.2Å; L232-A260 HydrophobicContact CD2-CB 4.22Å; L232-A260 HydrophobicContact CG-CB 4.24Å; Y256-A260 WeakPolarHBondContact O-CB 3.28Å; Y256-A260 PolarHBondContact O-N 2.88Å; A257-A260 PolarHBondContact O-N 2.89Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 2.92Å; A260-Q263 PolarHBondContact O-N 3.35Å; A260-Q263 VanDerWaalsContact O-N 3.1Å; A260-I264 VanDerWaalsContact O-CG1 3.3Å; A260-I264 WeakPolarHBondContact O-CG1 3.15Å; A260-I264 PolarHBondContact O-N 3.29Å
261A98.1Very high95.5Very high29 Ų2975.7 Ų75.724%0.2437%0.37CS..Hα-helixtrans-58.7-39.8175.900000112.8Y233 A257 W259 I264 N265Y233-A261 HydrophobicContact CD2-CB 4.01Å; Y233-A261 HydrophobicContact CE2-CB 3.99Å; A257-A261 WeakPolarHBondContact O-CB 3.34Å; A257-A261 PolarHBondContact O-N 3.1Å; W259-A261 PolarHBondContact O-N 3.04Å; A261-I264 PolarHBondContact O-N 2.98Å; A261-N265 WeakPolarHBondContact O-CB 3.45Å; A261-N265 PolarHBondContact O-N 3.34Å; A261-N265 PolarHBondContact O-ND2 3.03Å; A261-N265 VanDerWaalsContact O-ND2 3.09Å
262A97.7Very high94.6Very high52 Ų5274.7 Ų74.743%0.4337%0.371SS..Hα-helixtrans-65.2-40.1175.400000112.3A258 W259 A260 R266A258-A262 WeakPolarHBondContact O-CB 3.46Å; A258-A262 PolarHBondContact O-N 3.47Å; W259-A262 PolarHBondContact O-N 3.39Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 2.92Å; A262-R266 WeakPolarHBondContact O-CB 3.46Å; A262-R266 PolarHBondContact O-N 3.32Å
263Q96.9Very high93.6Very high58 Ų5877 Ų7727%0.27138%0.383SS..Hα-helixtrans-66.6-42.2175.2-63.1-45.4-51.500111.9L229 W259 A260 N265 R266 A267L229-Q263 HydrophobicContact CD1-CB 3.91Å; L229-Q263 HydrophobicContact CD1-CG 4.47Å; L229-Q263 HydrophobicContact CD2-CB 3.77Å; L229-Q263 HydrophobicContact CG-CB 4.42Å; W259-Q263 HydrophobicContact CD2-CG 4.05Å; W259-Q263 HydrophobicContact CE3-CG 4.24Å; W259-Q263 HydrophobicContact CH2-CG 3.87Å; W259-Q263 HydrophobicContact CZ2-CG 3.66Å; W259-Q263 HydrophobicContact CZ3-CG 4.15Å; W259-Q263 WeakPolarHBondContact O-CG 2.95Å; W259-Q263 PolarHBondContact O-N 3.22Å; A260-Q263 PolarHBondContact O-N 3.35Å; A260-Q263 VanDerWaalsContact O-N 3.1Å; Q263-N265 PolarHBondContact O-N 3.4Å; Q263-R266 WeakPolarHBondContact O-CB 3.48Å; Q263-R266 PolarHBondContact O-N 3.07Å; Q263-R266 VanDerWaalsContact O-N 3.15Å; Q263-A267 PolarHBondContact O-N 3.48Å
264I96.4Very high92.6Very high15 Ų1580 Ų808%0.07740%0.401CS..Hα-helixtrans-57.5-52.8176.1-66.4165.8000108.9L229 F230 Y233 A260 A261 R266 A267 Y268L229-I264 HydrophobicContact CB-CG1 4.45Å; L229-I264 HydrophobicContact CD2-CB 4.3Å; L229-I264 HydrophobicContact CD2-CG1 3.45Å; L229-I264 VanDerWaalsContact CD2-CG1 3.45Å; L229-I264 HydrophobicContact CG-CD1 4.24Å; L229-I264 HydrophobicContact CG-CG1 3.57Å; F230-I264 HydrophobicContact CD1-CD1 3.79Å; F230-I264 HydrophobicContact CE1-CD1 3.87Å; F230-I264 HydrophobicContact CE1-CG2 4.05Å; F230-I264 HydrophobicContact CE2-CG2 4.44Å; F230-I264 HydrophobicContact CG-CD1 4.26Å; F230-I264 HydrophobicContact CZ-CD1 4.4Å; F230-I264 HydrophobicContact CZ-CG2 3.76Å; Y233-I264 HydrophobicContact CG-CD1 4.39Å; A260-I264 VanDerWaalsContact O-CG1 3.3Å; A260-I264 WeakPolarHBondContact O-CG1 3.15Å; A260-I264 PolarHBondContact O-N 3.29Å; A261-I264 PolarHBondContact O-N 2.98Å; I264-R266 PolarHBondContact O-N 3.44Å; I264-A267 WeakPolarHBondContact O-CB 3.46Å; I264-A267 PolarHBondContact O-N 2.94Å; I264-A267 VanDerWaalsContact O-N 3.08Å; I264-Y268 HydrophobicContact CG2-CD2 3.85Å; I264-Y268 HydrophobicContact CG2-CE2 3.79Å; I264-Y268 WeakPolarHBondContact O-CD2 3.43Å; I264-Y268 PolarHBondContact O-N 3.38Å; I264-Y268 VanDerWaalsContact O-N 3.11Å
265N96Very high91.2Very high99 Ų9977.8 Ų77.853%0.52940%0.396SS..Hα-helixtrans-56.8-37.7177.7-77.9-39.4000113.1A261 Q263 K269A261-N265 WeakPolarHBondContact O-CB 3.45Å; A261-N265 PolarHBondContact O-N 3.34Å; A261-N265 PolarHBondContact O-ND2 3.03Å; A261-N265 VanDerWaalsContact O-ND2 3.09Å; Q263-N265 PolarHBondContact O-N 3.4Å; N265-K269 WeakPolarHBondContact O-CB 3.42Å; N265-K269 VanDerWaalsContact O-CG 3.29Å; N265-K269 WeakPolarHBondContact O-CG 3.38Å; N265-K269 PolarHBondContact O-N 3.07Å; N265-K269 VanDerWaalsContact O-N 3.12Å
266R94.6Very high89.9Confident168 Ų16875.9 Ų75.963%0.63440%0.395SS*.Hα-helixtrans-67.9-41.7176.7-177.3-178.5178.8178.81.8112.1A262 Q263 I264 K269 T270A262-R266 WeakPolarHBondContact O-CB 3.46Å; A262-R266 PolarHBondContact O-N 3.32Å; Q263-R266 WeakPolarHBondContact O-CB 3.48Å; Q263-R266 PolarHBondContact O-N 3.07Å; Q263-R266 VanDerWaalsContact O-N 3.15Å; I264-R266 PolarHBondContact O-N 3.44Å; R266-K269 PolarHBondContact O-N 3.4Å; R266-T270 PolarHBondContact O-N 3.36Å; R266-T270 PolarHBondContact O-OG1 3.45Å
267A92.1Very high88.4Confident28 Ų2879.7 Ų79.723%0.23141%0.408CS..Hα-helixtrans-61.1-51179.300000111M226 Q263 I264 K269 T270 E271M226-A267 HydrophobicContact CE-CB 3.58Å; Q263-A267 PolarHBondContact O-N 3.48Å; I264-A267 WeakPolarHBondContact O-CB 3.46Å; I264-A267 PolarHBondContact O-N 2.94Å; I264-A267 VanDerWaalsContact O-N 3.08Å; A267-K269 PolarHBondContact O-N 3.01Å; A267-T270 WeakPolarHBondContact O-CB 3.23Å; A267-T270 PolarHBondContact O-N 3.35Å; A267-E271 PolarHBondContact O-N 3.06Å
268Y92.3Very high86.9Confident109 Ų10984.9 Ų84.943%0.42743%0.431SS..Hα-helixtrans-58.9-45.4175.8-81.5-85.8000112.3F230 I264 T270 E271 L272F230-Y268 HydrophobicContact CE2-CE2 4.44Å; F230-Y268 HydrophobicContact CZ-CE2 4.1Å; I264-Y268 HydrophobicContact CG2-CD2 3.85Å; I264-Y268 HydrophobicContact CG2-CE2 3.79Å; I264-Y268 WeakPolarHBondContact O-CD2 3.43Å; I264-Y268 PolarHBondContact O-N 3.38Å; I264-Y268 VanDerWaalsContact O-N 3.11Å; Y268-T270 PolarHBondContact O-N 3.02Å; Y268-E271 PolarHBondContact O-N 3.34Å; Y268-L272 WeakPolarHBondContact O-CD1 3.34Å; Y268-L272 PolarHBondContact O-N 3.18Å
269K92.2Very high85.1Confident145 Ų14589.3 Ų89.363%0.6345%0.446SS*.Hα-helixtrans-57.9-37.2175.7-77.1177.9-179.2-1760112.6N265 R266 A267 L273N265-K269 WeakPolarHBondContact O-CB 3.42Å; N265-K269 VanDerWaalsContact O-CG 3.29Å; N265-K269 WeakPolarHBondContact O-CG 3.38Å; N265-K269 PolarHBondContact O-N 3.07Å; N265-K269 VanDerWaalsContact O-N 3.12Å; R266-K269 PolarHBondContact O-N 3.4Å; A267-K269 PolarHBondContact O-N 3.01Å; K269-L273 WeakPolarHBondContact O-CD1 3.28Å; K269-L273 VanDerWaalsContact O-CG 3.23Å; K269-L273 WeakPolarHBondContact O-CG 3.49Å; K269-L273 PolarHBondContact O-N 2.93Å; K269-L273 VanDerWaalsContact O-N 3.14Å
270T86.8Confident83.3Confident73 Ų7388 Ų8845%0.44846%0.456SS..Hα-helixtrans-69.6-43.1179.2-52.80000110.9R266 A267 Y268 L273 T274R266-T270 PolarHBondContact O-N 3.36Å; R266-T270 PolarHBondContact O-OG1 3.45Å; A267-T270 WeakPolarHBondContact O-CB 3.23Å; A267-T270 PolarHBondContact O-N 3.35Å; Y268-T270 PolarHBondContact O-N 3.02Å; T270-L273 WeakPolarHBondContact O-CB 3.46Å; T270-L273 PolarHBondContact O-N 3.37Å; T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 3.16Å
271E82Confident81.2Confident110 Ų11090.4 Ų90.451%0.51448%0.48SS..Hα-helixtrans-62.5-42.5176.1-73.8179.918000112.7A267 Y268 L273 T274 A275A267-E271 PolarHBondContact O-N 3.06Å; Y268-E271 PolarHBondContact O-N 3.34Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 2.9Å; E271-T274 VanDerWaalsContact CA-OG1 3.26Å; E271-T274 WeakPolarHBondContact CA-OG1 3.46Å; E271-T274 PolarHBondContact O-N 3.28Å; E271-T274 PolarHBondContact O-OG1 2.92Å; E271-A275 WeakPolarHBondContact O-CB 3.31Å; E271-A275 PolarHBondContact O-N 3.49Å
272L77.3Confident78.7Confident114 Ų11492.5 Ų92.560%0.59751%0.505SS*.Hα-helixtrans-61-39.4173.6-86.6103.7000111.9Y268 T276Y268-L272 WeakPolarHBondContact O-CD1 3.34Å; Y268-L272 PolarHBondContact O-N 3.18Å; L272-T276 WeakPolarHBondContact O-CB 3.36Å; L272-T276 WeakPolarHBondContact O-CG2 3.17Å; L272-T276 PolarHBondContact O-N 2.9Å; L272-T276 PolarHBondContact O-OG1 3.01Å
273L76.3Confident76Confident104 Ų10498 Ų9855%0.54552%0.519SS..Hα-helixtrans-68.9-34.6177.5-73.8168.3000112.5K269 T270 E271 T276 R277K269-L273 WeakPolarHBondContact O-CD1 3.28Å; K269-L273 VanDerWaalsContact O-CG 3.23Å; K269-L273 WeakPolarHBondContact O-CG 3.49Å; K269-L273 PolarHBondContact O-N 2.93Å; K269-L273 VanDerWaalsContact O-N 3.14Å; T270-L273 WeakPolarHBondContact O-CB 3.46Å; T270-L273 PolarHBondContact O-N 3.37Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 2.9Å; L273-T276 WeakPolarHBondContact CA-OG1 3.44Å; L273-T276 PolarHBondContact O-OG1 2.99Å; L273-T276 VanDerWaalsContact O-OG1 3.09Å; L273-R277 WeakPolarHBondContact O-CB 3.32Å; L273-R277 VanDerWaalsContact O-CG 3.27Å; L273-R277 WeakPolarHBondContact O-CG 3.5Å; L273-R277 PolarHBondContact O-N 3.17Å
274T76.9Confident73.3Confident68 Ų68103.6 Ų103.642%0.41755%0.55SS..Hα-helixtrans-70.7-45.4173.340.90000111.8T270 E271 T276 R277 E278T270-T274 PolarHBondContact O-N 3.39Å; T270-T274 PolarHBondContact O-OG1 3.16Å; E271-T274 VanDerWaalsContact CA-OG1 3.26Å; E271-T274 WeakPolarHBondContact CA-OG1 3.46Å; E271-T274 PolarHBondContact O-N 3.28Å; E271-T274 PolarHBondContact O-OG1 2.92Å; T274-T276 VanDerWaalsContact C-N 3.33Å; T274-T276 PolarHBondContact O-N 3.28Å; T274-R277 PolarHBondContact O-N 3.5Å; T274-E278 WeakPolarHBondContact O-CG 3.47Å; T274-E278 PolarHBondContact O-N 3.44Å
275A69.9Low70.5Confident44 Ų44111.2 Ų111.236%0.36458%0.583SS.*Hα-helixtrans-61.2-41178.300000112E271 E278 L279E271-A275 WeakPolarHBondContact O-CB 3.31Å; E271-A275 PolarHBondContact O-N 3.49Å; A275-E278 PolarHBondContact O-N 2.98Å; A275-L279 VanDerWaalsContact O-CG 3.3Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 2.91Å
276T70.8Confident67.8Low78 Ų78113.9 Ų113.948%0.47960%0.597SS.*Hα-helixtrans-68.3-32.9176.746.40000113.3L272 L273 T274 S280L272-T276 WeakPolarHBondContact O-CB 3.36Å; L272-T276 WeakPolarHBondContact O-CG2 3.17Å; L272-T276 PolarHBondContact O-N 2.9Å; L272-T276 PolarHBondContact O-OG1 3.01Å; L273-T276 WeakPolarHBondContact CA-OG1 3.44Å; L273-T276 PolarHBondContact O-OG1 2.99Å; L273-T276 VanDerWaalsContact O-OG1 3.09Å; T274-T276 VanDerWaalsContact C-N 3.33Å; T274-T276 PolarHBondContact O-N 3.28Å; T276-S280 WeakPolarHBondContact O-CB 3.41Å; T276-S280 PolarHBondContact O-N 3.37Å; T276-S280 PolarHBondContact O-OG 3.42Å
277R67.4Low65Low183 Ų183114.7 Ų114.769%0.69160%0.6SS**Hα-helixtrans-69.2-38.4171.7-77.1175.2-179.6-172.1-0.2112.8L273 T274 S280 G281L273-R277 WeakPolarHBondContact O-CB 3.32Å; L273-R277 VanDerWaalsContact O-CG 3.27Å; L273-R277 WeakPolarHBondContact O-CG 3.5Å; L273-R277 PolarHBondContact O-N 3.17Å; T274-R277 PolarHBondContact O-N 3.5Å; R277-S280 WeakPolarHBondContact CA-OG 3.37Å; R277-S280 PolarHBondContact O-N 2.99Å; R277-S280 PolarHBondContact O-OG 3.41Å; R277-G281 WeakPolarHBondContact O-CA 3.31Å; R277-G281 PolarHBondContact O-N 2.78Å
278E66.8Low62.3Low120 Ų120118.9 Ų118.956%0.56162%0.623SS**Hα-helixtrans-66.9-39.9176.6-72.9173.3177.700111.4T274 A275 G281T274-E278 WeakPolarHBondContact O-CG 3.47Å; T274-E278 PolarHBondContact O-N 3.44Å; A275-E278 PolarHBondContact O-N 2.98Å; E278-G281 PolarHBondContact O-N 3.34Å
279L60.8Low59.5Low151 Ų151123.7 Ų123.779%0.79164%0.642SS**Hα-helixtrans-69.8-34.4175.8-69.9167000113.5A275A275-L279 VanDerWaalsContact O-CG 3.3Å; A275-L279 WeakPolarHBondContact O-CG 3.4Å; A275-L279 PolarHBondContact O-N 2.91Å
280S60.8Low56.8Low100 Ų100125.9 Ų125.970%0.69967%0.673SS**Hα-helixtrans-84.5-16176.951.40000113.7T276 R277T276-S280 WeakPolarHBondContact O-CB 3.41Å; T276-S280 PolarHBondContact O-N 3.37Å; T276-S280 PolarHBondContact O-OG 3.42Å; R277-S280 WeakPolarHBondContact CA-OG 3.37Å; R277-S280 PolarHBondContact O-N 2.99Å; R277-S280 PolarHBondContact O-OG 3.41Å
281G53.3Low55.3Low50 Ų50128.6 Ų128.652%0.51569%0.685SS.*THydrogen-bonded Turntrans-93.63.9-173.200000116.4R277 E278 K283R277-G281 WeakPolarHBondContact O-CA 3.31Å; R277-G281 PolarHBondContact O-N 2.78Å; E278-G281 PolarHBondContact O-N 3.34Å; G281-K283 PolarHBondContact O-N 3.13Å
282G45.2Very low53.9Low73 Ų73129.5 Ų129.575%0.75369%0.694SS**THydrogen-bonded Turntrans51.128.2163.700000116.9
283K40.7Very low52.6Low167 Ų167130.4 Ų130.473%0.72670%0.699SS**  trans-136.6105.1170.5-75.6-169.1177.8-175.80109.4G281 F285G281-K283 PolarHBondContact O-N 3.13Å; K283-F285 VanDerWaalsContact C-N 3.32Å; K283-F285 HydrophobicContact CB-CD2 4.42Å; K283-F285 PolarHBondContact O-N 3.18Å
284L41.2Very low51.2Low176 Ų176131.9 Ų131.992%0.92171%0.708SS**  trans-55.494.9161-79.5138000108.5
285F36.5Very low49.6Very low176 Ų176135.9 Ų135.977%0.77273%0.726SS**  trans-103.8103.4158.4-100.9-86000106.9K283 R287K283-F285 VanDerWaalsContact C-N 3.32Å; K283-F285 HydrophobicContact CB-CD2 4.42Å; K283-F285 PolarHBondContact O-N 3.18Å; F285-R287 PolarHBondContact O-N 2.94Å
286N39.3Very low48.2Very low154 Ų154142.1 Ų142.182%0.82475%0.751SS**  trans-52.4110.1163.9-90.1-20.2000108.4
287R35.8Very low46.6Very low186 Ų186146.6 Ų146.670%0.70277%0.77SS**  trans-91.7100.9165-82.8-174.9171177.9-0.9108.4F285 Y289F285-R287 PolarHBondContact O-N 2.94Å; R287-Y289 PolarHBondContact O-N 3.24Å
288T35.9Very low45Very low115 Ų115143.8 Ų143.871%0.70678%0.776SS**  trans-60.4121.3153.6-26.70000107.1
289Y34.1Very low43.2Very low210 Ų210145.8 Ų145.882%0.82479%0.794SS**  trans-80.7124.3173.9-74-94.8000108.6R287R287-Y289 PolarHBondContact O-N 3.24Å
290C34.6Very low41.6Very low192 Ų192145.4 Ų145.4100%1.29779%0.794SS**  trans-82.20159.5-72.40000109.8

Retrieved 290 of 290 residues in 2122.3 ms (Link to these results)

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