A0A087YNX8_POEFO Loading...

Sterile alpha motif domain-containing protein 5

AlphaFold DB , UniProt , Accession A0A087YNX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M41.4Very low74.2Confident242 Ų24284.9 Ų84.9100%1.19248%0.481SS*.  099.90-6615975.300105.9S3M1-S3 PolarHBondContact O-N 2.73Å
2T43.2Very low75.7Confident140 Ų14079.8 Ų79.886%0.85945%0.448SS*.  trans-75.8109179510000107.1S4T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 3.16Å
3S54.5Low76.9Confident90 Ų9073.6 Ų73.663%0.62941%0.414SS*.  trans-59.896.2172.740.40000108.5M1 G5 P6M1-S3 PolarHBondContact O-N 2.73Å; S3-G5 PolarHBondContact O-N 3.44Å; S3-P6 WeakPolarHBondContact O-CD 3.28Å
4S68.4Low77.9Confident81 Ų8175.6 Ų75.657%0.56642%0.416SS*.  trans-72.9-2.2168.9-172.20000111.8T2 V7 I8T2-S4 VanDerWaalsContact C-N 3.33Å; T2-S4 PolarHBondContact O-N 3.16Å; S4-V7 WeakPolarHBondContact O-CB 3.41Å; S4-V7 PolarHBondContact O-N 2.99Å; S4-I8 PolarHBondContact O-N 3.48Å
5G74.8Confident78.8Confident10 Ų1077.5 Ų77.510%0.10343%0.431CS..Hα-helixtrans-49.4-58.5-179.800000113.9S3 V7 I8 V9 D31S3-G5 PolarHBondContact O-N 3.44Å; G5-V7 PolarHBondContact O-N 3.48Å; G5-I8 WeakPolarHBondContact O-CG2 3.44Å; G5-I8 PolarHBondContact O-N 3.41Å; G5-V9 PolarHBondContact O-N 2.94Å; G5-V9 VanDerWaalsContact O-N 3.12Å; G5-D31 CarbonylContact C-O 3.39Å; G5-D31 WeakPolarHBondContact CA-O 3.43Å
6P83.3Confident79.5Confident39 Ų3973.8 Ų73.825%0.25341%0.409SS..Hα-helixtrans-56.6-33-178.1-26.534.6000113.2S3 F10 V26 D31S3-P6 WeakPolarHBondContact O-CD 3.28Å; P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.27Å; P6-F10 PolarHBondContact O-N 3.43Å; P6-V26 HydrophobicContact CB-CG2 4.02Å; P6-V26 HydrophobicContact CG-CG1 4.31Å; P6-V26 HydrophobicContact CG-CG2 4.47Å; P6-D31 HydrophobicContact CG-CB 4.26Å
7V87.1Confident80.1Confident90 Ų9077.7 Ų77.755%0.54542%0.424SS..Hα-helixtrans-71.7-40-180-175.90000111.7S4 G5 F10 E11S4-V7 WeakPolarHBondContact O-CB 3.41Å; S4-V7 PolarHBondContact O-N 2.99Å; G5-V7 PolarHBondContact O-N 3.48Å; V7-F10 PolarHBondContact O-N 3.13Å; V7-E11 PolarHBondContact O-N 3.45Å; V7-E11 VanDerWaalsContact O-N 3.09Å
8I89.4Confident80.7Confident80 Ų8073.4 Ų73.441%0.4140%0.401SS..Hα-helixtrans-70.7-38.2179.2-172.768.9000111.3S4 G5 E11 W12 L33S4-I8 PolarHBondContact O-N 3.48Å; G5-I8 WeakPolarHBondContact O-CG2 3.44Å; G5-I8 PolarHBondContact O-N 3.41Å; I8-E11 PolarHBondContact O-N 2.81Å; I8-W12 PolarHBondContact O-N 3.4Å; I8-L33 HydrophobicContact CD1-CD1 4.25Å; I8-L33 HydrophobicContact CG1-CD1 3.63Å; I8-L33 HydrophobicContact CG1-CG 3.87Å
9V90.4Very high81.1Confident0 Ų072.4 Ų72.40%040%0.4CS..Hα-helixtrans-67.6-39.5174.9174.70000111.1G5 W12 L13 F25 D31G5-V9 PolarHBondContact O-N 2.94Å; G5-V9 VanDerWaalsContact O-N 3.12Å; V9-W12 PolarHBondContact O-N 3.44Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 PolarHBondContact O-N 3.03Å; V9-F25 HydrophobicContact CG1-CB 4.4Å; V9-F25 HydrophobicContact CG1-CD1 4.5Å; V9-D31 VanDerWaalsContact CG2-C 3.41Å; V9-D31 WeakPolarHBondContact CG2-O 3.33Å
10F91.4Very high81.5Confident79 Ų7975.2 Ų75.235%0.34641%0.409SS..Hα-helixtrans-56.6-51.7173.3173.6-96.3000112.2P6 V7 W12 L13 K14 V22P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.27Å; P6-F10 PolarHBondContact O-N 3.43Å; V7-F10 PolarHBondContact O-N 3.13Å; F10-W12 VanDerWaalsContact C-N 3.31Å; F10-W12 PolarHBondContact O-N 2.92Å; F10-L13 PolarHBondContact O-N 3.36Å; F10-K14 HydrophobicContact CE1-CD 3.82Å; F10-K14 HydrophobicContact CZ-CD 4.17Å; F10-K14 WeakPolarHBondContact O-CB 3.38Å; F10-K14 PolarHBondContact O-N 2.99Å; F10-V22 HydrophobicContact CB-CG1 4.05Å; F10-V22 HydrophobicContact CB-CG2 4.33Å; F10-V22 HydrophobicContact CD2-CB 4.37Å; F10-V22 HydrophobicContact CD2-CG1 4.15Å; F10-V22 HydrophobicContact CD2-CG2 3.85Å
11E92.4Very high81.9Confident83 Ų8373 Ų7339%0.38840%0.395SS..Hα-helixtrans-63.7-38.2179.9-73.1-61.4140.400111.5V7 I8 K14 T15V7-E11 PolarHBondContact O-N 3.45Å; V7-E11 VanDerWaalsContact O-N 3.09Å; I8-E11 PolarHBondContact O-N 2.81Å; E11-K14 WeakPolarHBondContact O-CB 3.33Å; E11-K14 PolarHBondContact O-N 3Å; E11-K14 IonicContact OE1-NZ 3.03Å; E11-K14 PolarHBondContact OE1-NZ 3.05Å; E11-K14 IonicContact OE2-NZ 3.83Å; E11-K14 PolarHBondContact OE2-NZ 2.73Å; E11-T15 VanDerWaalsContact O-CG2 3.29Å; E11-T15 WeakPolarHBondContact O-CG2 3.3Å; E11-T15 PolarHBondContact O-N 3.47Å; E11-T15 VanDerWaalsContact O-N 3.09Å
12W92.3Very high84.2Confident23 Ų2362.2 Ų62.29%0.08734%0.343CS..Hα-helixtrans-61.4-52.1174.2175.767.1000112.4I8 V9 F10 K14 T15 L16 F25 L33 C36 I58 A61 V62 L65I8-W12 PolarHBondContact O-N 3.4Å; V9-W12 PolarHBondContact O-N 3.44Å; F10-W12 VanDerWaalsContact C-N 3.31Å; F10-W12 PolarHBondContact O-N 2.92Å; W12-K14 VanDerWaalsContact C-N 3.26Å; W12-K14 PolarHBondContact O-N 2.86Å; W12-T15 PolarHBondContact O-N 3.37Å; W12-T15 VanDerWaalsContact O-N 3.12Å; W12-T15 PolarHBondContact O-OG1 3.43Å; W12-L16 HydrophobicContact CD2-CD1 4.31Å; W12-L16 HydrophobicContact CH2-CD1 4.4Å; W12-L16 HydrophobicContact CZ2-CD1 3.91Å; W12-L16 PolarHBondContact O-N 2.84Å; W12-F25 HydrophobicContact CZ3-CE1 4.09Å; W12-L33 HydrophobicContact CB-CD2 3.85Å; W12-L33 HydrophobicContact CD2-CD2 4.1Å; W12-L33 HydrophobicContact CE3-CD2 4.36Å; W12-L33 HydrophobicContact CG-CD2 3.88Å; W12-C36 HydrophobicContact CH2-CB 4.44Å; W12-C36 HydrophobicContact CZ3-CB 4.25Å; W12-I58 HydrophobicContact CH2-CG2 4.05Å; W12-A61 HydrophobicContact CZ2-CB 3.69Å; W12-V62 HydrophobicContact CH2-CG2 3.87Å; W12-V62 HydrophobicContact CZ2-CG2 3.92Å; W12-L65 HydrophobicContact CD2-CD1 4.31Å; W12-L65 HydrophobicContact CZ2-CD1 3.8Å
13L90.8Very high86.4Confident0 Ų062.8 Ų62.80%034%0.336CS..Hα-helixtrans-63.1-32.2178.1-79.2171.8000112.4V9 F10 L16 Q17 L18 V22 F25V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.49Å; V9-L13 PolarHBondContact O-N 3.03Å; F10-L13 PolarHBondContact O-N 3.36Å; L13-L16 CarbonylContact O-C 3.55Å; L13-L16 WeakPolarHBondContact O-CA 3.03Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-L16 VanDerWaalsContact O-N 3.11Å; L13-Q17 PolarHBondContact O-N 3.28Å; L13-Q17 VanDerWaalsContact O-N 3.09Å; L13-L18 HydrophobicContact CD2-CB 4.01Å; L13-L18 PolarHBondContact O-N 3.35Å; L13-V22 HydrophobicContact CB-CG2 3.86Å; L13-V22 HydrophobicContact CD1-CB 4.27Å; L13-V22 HydrophobicContact CD1-CG2 3.49Å; L13-V22 VanDerWaalsContact CD1-CG2 3.49Å; L13-V22 HydrophobicContact CG-CG2 4.31Å; L13-F25 HydrophobicContact CD1-CB 4.41Å; L13-F25 HydrophobicContact CD1-CD1 4.34Å; L13-F25 HydrophobicContact CD1-CD2 4.05Å; L13-F25 HydrophobicContact CD1-CE2 4.38Å; L13-F25 HydrophobicContact CD1-CG 4.02Å; L13-F25 HydrophobicContact CD2-CE2 4.44Å; L13-F25 HydrophobicContact CD2-CZ 4.34Å
14K91.4Very high88.2Confident102 Ų10260.5 Ų60.544%0.44332%0.32SS..Hα-helixtrans-64.9-37.9173.8179.6-178.7169.1-158.80112.4F10 E11 W12 L16 Q17F10-K14 HydrophobicContact CE1-CD 3.82Å; F10-K14 HydrophobicContact CZ-CD 4.17Å; F10-K14 WeakPolarHBondContact O-CB 3.38Å; F10-K14 PolarHBondContact O-N 2.99Å; E11-K14 WeakPolarHBondContact O-CB 3.33Å; E11-K14 PolarHBondContact O-N 3Å; E11-K14 IonicContact OE1-NZ 3.03Å; E11-K14 PolarHBondContact OE1-NZ 3.05Å; E11-K14 IonicContact OE2-NZ 3.83Å; E11-K14 PolarHBondContact OE2-NZ 2.73Å; W12-K14 VanDerWaalsContact C-N 3.26Å; W12-K14 PolarHBondContact O-N 2.86Å; K14-L16 PolarHBondContact O-N 2.77Å; K14-Q17 PolarHBondContact O-N 3.26Å
15T91.6Very high89.3Confident104 Ų10456.6 Ų56.664%0.63829%0.293SS*.Hα-helixtrans-61.4-28.9171.9730000112.4E11 W12 Q17E11-T15 VanDerWaalsContact O-CG2 3.29Å; E11-T15 WeakPolarHBondContact O-CG2 3.3Å; E11-T15 PolarHBondContact O-N 3.47Å; E11-T15 VanDerWaalsContact O-N 3.09Å; W12-T15 PolarHBondContact O-N 3.37Å; W12-T15 VanDerWaalsContact O-N 3.12Å; W12-T15 PolarHBondContact O-OG1 3.43Å; T15-Q17 VanDerWaalsContact C-N 3.34Å
16L89.9Confident90Very high17 Ų1758.3 Ų58.39%0.08930%0.301CS..THydrogen-bonded Turntrans-89.20.6177-54175.2000112.7W12 L13 K14 L18 R57 A61W12-L16 HydrophobicContact CD2-CD1 4.31Å; W12-L16 HydrophobicContact CH2-CD1 4.4Å; W12-L16 HydrophobicContact CZ2-CD1 3.91Å; W12-L16 PolarHBondContact O-N 2.84Å; L13-L16 CarbonylContact O-C 3.55Å; L13-L16 WeakPolarHBondContact O-CA 3.03Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 2.92Å; L13-L16 VanDerWaalsContact O-N 3.11Å; K14-L16 PolarHBondContact O-N 2.77Å; L16-L18 HydrophobicContact CB-CB 4.35Å; L16-L18 HydrophobicContact CB-CD1 4.08Å; L16-L18 HydrophobicContact CB-CG 4.28Å; L16-L18 WeakPolarHBondContact O-CG 3Å; L16-L18 PolarHBondContact O-N 3.45Å; L16-R57 PolarHBondContact O-NH1 3.38Å; L16-R57 PolarHBondContact O-NH2 3.08Å; L16-A61 HydrophobicContact CD1-CB 3.42Å; L16-A61 VanDerWaalsContact CD1-CB 3.42Å; L16-A61 HydrophobicContact CD2-CB 3.57Å; L16-A61 HydrophobicContact CG-CB 4.1Å
17Q90.1Very high90.3Very high141 Ų14162.8 Ų62.866%0.65932%0.323SS*.THydrogen-bonded Turntrans54.832.7-173.2-56.6170.7-40.100113L13 K14 T15L13-Q17 PolarHBondContact O-N 3.28Å; L13-Q17 VanDerWaalsContact O-N 3.09Å; K14-Q17 PolarHBondContact O-N 3.26Å; T15-Q17 VanDerWaalsContact C-N 3.34Å
18L89.8Confident90.4Very high1 Ų162.1 Ų62.11%0.00532%0.317CS..  trans-120.127.2-178.7-68.1172.3000111.1L13 L16 Q20 Y21 H54 R57 I58L13-L18 HydrophobicContact CD2-CB 4.01Å; L13-L18 PolarHBondContact O-N 3.35Å; L16-L18 HydrophobicContact CB-CB 4.35Å; L16-L18 HydrophobicContact CB-CD1 4.08Å; L16-L18 HydrophobicContact CB-CG 4.28Å; L16-L18 WeakPolarHBondContact O-CG 3Å; L16-L18 PolarHBondContact O-N 3.45Å; L18-Q20 PolarHBondContact O-N 3.46Å; L18-Q20 VanDerWaalsContact O-N 3.08Å; L18-Y21 HydrophobicContact CB-CD2 4.09Å; L18-Y21 HydrophobicContact CD2-CD2 4.08Å; L18-Y21 HydrophobicContact CD2-CE2 3.81Å; L18-Y21 PolarHBondContact O-N 3.5Å; L18-Y21 VanDerWaalsContact O-N 3.08Å; L18-H54 HydrophobicContact CD1-CB 4.47Å; L18-H54 HydrophobicContact CD2-CB 4.01Å; L18-R57 HydrophobicContact CD1-CB 4.23Å; L18-I58 HydrophobicContact CD1-CD1 4.05Å; L18-I58 HydrophobicContact CD1-CG1 3.63Å
19S89Confident90.3Very high54 Ų5460.3 Ų60.338%0.37832%0.317SS..G310 helixtrans-60.8-19.2-177.954.30000113.9Y21 V22S19-Y21 PolarHBondContact O-N 3.13Å; S19-V22 WeakPolarHBondContact O-CB 3.26Å; S19-V22 WeakPolarHBondContact O-CG2 3.44Å; S19-V22 PolarHBondContact O-N 3.02Å
20Q89.3Confident90.3Very high127 Ų12761.7 Ų61.759%0.59332%0.323SS*.G310 helixtrans-63.8-22.1174.368.4-154.455.100114L18L18-Q20 PolarHBondContact O-N 3.46Å; L18-Q20 VanDerWaalsContact O-N 3.08Å
21Y89.1Confident90.3Very high29 Ų2960.6 Ų60.611%0.11432%0.321CS..G310 helixtrans-91.5-0179.9-63-73.2000112.7L18 S19 E23 S24 F25 V49 H54L18-Y21 HydrophobicContact CB-CD2 4.09Å; L18-Y21 HydrophobicContact CD2-CD2 4.08Å; L18-Y21 HydrophobicContact CD2-CE2 3.81Å; L18-Y21 PolarHBondContact O-N 3.5Å; L18-Y21 VanDerWaalsContact O-N 3.08Å; S19-Y21 PolarHBondContact O-N 3.13Å; Y21-E23 PolarHBondContact O-N 2.92Å; Y21-S24 PolarHBondContact O-N 3.33Å; Y21-F25 WeakPolarHBondContact O-CD2 3.43Å; Y21-F25 PolarHBondContact O-N 3.01Å; Y21-V49 HydrophobicContact CD1-CG2 3.79Å; Y21-V49 HydrophobicContact CE1-CG2 3.97Å; Y21-V49 HydrophobicContact CG-CG2 4.15Å; Y21-H54 AromaticContact CE2-ND1 3.47Å; Y21-H54 WeakPolarHBondContact CE2-ND1 3.49Å; Y21-H54 AromaticContact CZ-ND1 3.68Å; Y21-H54 PolarHBondContact OH-ND1 3.45Å
22V89.9Confident90.3Very high17 Ų1760.1 Ų60.110%0.10332%0.32CS..Hα-helixtrans-60.3-45.6-173.2172.80000111.8F10 L13 S19 S24 F25 V26F10-V22 HydrophobicContact CB-CG1 4.05Å; F10-V22 HydrophobicContact CB-CG2 4.33Å; F10-V22 HydrophobicContact CD2-CB 4.37Å; F10-V22 HydrophobicContact CD2-CG1 4.15Å; F10-V22 HydrophobicContact CD2-CG2 3.85Å; L13-V22 HydrophobicContact CB-CG2 3.86Å; L13-V22 HydrophobicContact CD1-CB 4.27Å; L13-V22 HydrophobicContact CD1-CG2 3.49Å; L13-V22 VanDerWaalsContact CD1-CG2 3.49Å; L13-V22 HydrophobicContact CG-CG2 4.31Å; S19-V22 WeakPolarHBondContact O-CB 3.26Å; S19-V22 WeakPolarHBondContact O-CG2 3.44Å; S19-V22 PolarHBondContact O-N 3.02Å; V22-S24 PolarHBondContact O-N 3.11Å; V22-F25 PolarHBondContact O-N 3.14Å; V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 3.47Å
23E90.1Very high90.1Very high152 Ų15260.7 Ų60.771%0.7133%0.325SS*.Hα-helixtrans-59.2-48.6176.7-72.5-179.116800110.8Y21 F25 V26 D27Y21-E23 PolarHBondContact O-N 2.92Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 3.41Å; E23-V26 PolarHBondContact O-N 2.94Å; E23-V26 VanDerWaalsContact O-N 3.14Å; E23-D27 WeakPolarHBondContact O-CB 3.49Å; E23-D27 PolarHBondContact O-N 3.45Å
24S91.4Very high90Very high41 Ų4166.1 Ų66.129%0.28735%0.35SS..Hα-helixtrans-61.5-34.4177.8-47.80000113.1Y21 V22 N28Y21-S24 PolarHBondContact O-N 3.33Å; V22-S24 PolarHBondContact O-N 3.11Å; S24-N28 WeakPolarHBondContact O-CB 3.17Å; S24-N28 PolarHBondContact O-N 3.43Å; S24-N28 PolarHBondContact O-ND2 3.48Å
25F90.9Very high89.9Confident0 Ų064 Ų640%035%0.346CS..Hα-helixtrans-66.6-48.2174.3-90.8-114.3000111V9 W12 L13 Y21 V22 E23 N28 G29 Y30 I39 L44 I47 V49 I58V9-F25 HydrophobicContact CG1-CB 4.4Å; V9-F25 HydrophobicContact CG1-CD1 4.5Å; W12-F25 HydrophobicContact CZ3-CE1 4.09Å; L13-F25 HydrophobicContact CD1-CB 4.41Å; L13-F25 HydrophobicContact CD1-CD1 4.34Å; L13-F25 HydrophobicContact CD1-CD2 4.05Å; L13-F25 HydrophobicContact CD1-CE2 4.38Å; L13-F25 HydrophobicContact CD1-CG 4.02Å; L13-F25 HydrophobicContact CD2-CE2 4.44Å; L13-F25 HydrophobicContact CD2-CZ 4.34Å; Y21-F25 WeakPolarHBondContact O-CD2 3.43Å; Y21-F25 PolarHBondContact O-N 3.01Å; V22-F25 PolarHBondContact O-N 3.14Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 3.41Å; F25-N28 PolarHBondContact O-N 2.91Å; F25-G29 PolarHBondContact O-N 3.09Å; F25-Y30 HydrophobicContact CD1-CG 4.43Å; F25-Y30 WeakPolarHBondContact O-CA 3.06Å; F25-Y30 WeakPolarHBondContact O-CB 3.39Å; F25-Y30 PolarHBondContact O-N 3.21Å; F25-I39 HydrophobicContact CD1-CD1 4.03Å; F25-I39 HydrophobicContact CE1-CD1 3.31Å; F25-I39 HydrophobicContact CZ-CD1 4.1Å; F25-L44 HydrophobicContact CZ-CD2 4.4Å; F25-I47 HydrophobicContact CD1-CD1 4.27Å; F25-I47 HydrophobicContact CD2-CD1 4.13Å; F25-I47 HydrophobicContact CD2-CG2 3.57Å; F25-I47 HydrophobicContact CE1-CD1 4.16Å; F25-I47 HydrophobicContact CE2-CD1 4.04Å; F25-I47 HydrophobicContact CE2-CG2 3.74Å; F25-I47 HydrophobicContact CG-CD1 4.26Å; F25-I47 HydrophobicContact CG-CG2 4.45Å; F25-I47 HydrophobicContact CZ-CD1 4.04Å; F25-V49 HydrophobicContact CE2-CG2 4.36Å; F25-I58 HydrophobicContact CE2-CD1 4.46Å; F25-I58 HydrophobicContact CZ-CD1 4.13Å; F25-I58 HydrophobicContact CZ-CG2 4.42Å
26V90.6Very high89.8Confident46 Ų4659 Ų5928%0.27932%0.315SS..Hα-helixtrans-66.4-40.9-178.8175.50000111.3P6 V22 E23 N28 G29 D31P6-V26 HydrophobicContact CB-CG2 4.02Å; P6-V26 HydrophobicContact CG-CG1 4.31Å; P6-V26 HydrophobicContact CG-CG2 4.47Å; V22-V26 HydrophobicContact CG1-CG2 4.39Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 3.47Å; E23-V26 PolarHBondContact O-N 2.94Å; E23-V26 VanDerWaalsContact O-N 3.14Å; V26-N28 VanDerWaalsContact C-N 3.25Å; V26-N28 PolarHBondContact O-N 3.27Å; V26-G29 PolarHBondContact O-N 3Å; V26-D31 HydrophobicContact CG1-CB 4.46Å; V26-D31 HydrophobicContact CG2-CB 4.38Å
27D89.8Confident89.7Confident132 Ų13259.7 Ų59.771%0.70632%0.318SS*.Hα-helixtrans-62.8-32.4177.5-70-17.2000112.4E23 G29E23-D27 WeakPolarHBondContact O-CB 3.49Å; E23-D27 PolarHBondContact O-N 3.45Å; D27-G29 VanDerWaalsContact C-N 3.29Å
28N88.6Confident89.6Confident77 Ų7760.5 Ų60.541%0.41232%0.321SS..THydrogen-bonded Turntrans-86.15174.7-76.5-84.8000113.2S24 F25 V26 Y30 I47S24-N28 WeakPolarHBondContact O-CB 3.17Å; S24-N28 PolarHBondContact O-N 3.43Å; S24-N28 PolarHBondContact O-ND2 3.48Å; F25-N28 PolarHBondContact O-N 2.91Å; V26-N28 VanDerWaalsContact C-N 3.25Å; V26-N28 PolarHBondContact O-N 3.27Å; N28-Y30 HydrophobicContact CB-CD2 3.8Å; N28-Y30 HydrophobicContact CB-CE2 4.05Å; N28-I47 HydrophobicContact CB-CG1 4.08Å
29G88.2Confident89.5Confident41 Ų4160.8 Ų60.842%0.42332%0.323SS..THydrogen-bonded Turntrans80.816.1178.200000115.1F25 V26 D27 D31F25-G29 PolarHBondContact O-N 3.09Å; V26-G29 PolarHBondContact O-N 3Å; D27-G29 VanDerWaalsContact C-N 3.29Å; G29-D31 VanDerWaalsContact C-N 3.3Å; G29-D31 PolarHBondContact O-N 3.49Å
30Y90.8Very high89.5Confident30 Ų3059.2 Ų59.212%0.11832%0.315CS..  trans-91.757.8172.2-65-82.9000110.9F25 N28 V35 I39 D43 I47F25-Y30 HydrophobicContact CD1-CG 4.43Å; F25-Y30 WeakPolarHBondContact O-CA 3.06Å; F25-Y30 WeakPolarHBondContact O-CB 3.39Å; F25-Y30 PolarHBondContact O-N 3.21Å; N28-Y30 HydrophobicContact CB-CD2 3.8Å; N28-Y30 HydrophobicContact CB-CE2 4.05Å; Y30-V35 HydrophobicContact CD1-CG1 3.7Å; Y30-V35 HydrophobicContact CE1-CG1 3.96Å; Y30-I39 HydrophobicContact CD1-CD1 3.67Å; Y30-I39 HydrophobicContact CD1-CG1 3.55Å; Y30-I39 HydrophobicContact CE1-CD1 3.97Å; Y30-I39 HydrophobicContact CE1-CG1 3.32Å; Y30-I39 HydrophobicContact CG-CD1 4.15Å; Y30-I39 HydrophobicContact CG-CG1 4.4Å; Y30-D43 HydrophobicContact CE2-CB 4.48Å; Y30-D43 VanDerWaalsContact OH-CB 3.26Å; Y30-D43 WeakPolarHBondContact OH-CB 3.29Å; Y30-D43 PolarHBondContact OH-OD1 3.39Å; Y30-I47 HydrophobicContact CD2-CD1 3.71Å; Y30-I47 HydrophobicContact CD2-CG1 4.18Å; Y30-I47 HydrophobicContact CE2-CD1 3.82Å; Y30-I47 HydrophobicContact CE2-CG1 4.2Å; Y30-I47 HydrophobicContact CG-CD1 4.4Å
31D91.4Very high89.4Confident56 Ų5659.4 Ų59.430%0.29932%0.316SS..  trans-96.92.2-179.971.9-37.1000113.5G5 P6 V9 V26 G29G5-D31 CarbonylContact C-O 3.39Å; G5-D31 WeakPolarHBondContact CA-O 3.43Å; P6-D31 HydrophobicContact CG-CB 4.26Å; V9-D31 VanDerWaalsContact CG2-C 3.41Å; V9-D31 WeakPolarHBondContact CG2-O 3.33Å; V26-D31 HydrophobicContact CG1-CB 4.46Å; V26-D31 HydrophobicContact CG2-CB 4.38Å; G29-D31 VanDerWaalsContact C-N 3.3Å; G29-D31 PolarHBondContact O-N 3.49Å
32D91Very high89.3Confident72 Ų7262.4 Ų62.439%0.38534%0.339SS..SBendtrans-129.7144175-166.3-49.4000110.9E34 V35 C36D32-E34 PolarHBondContact O-N 3.27Å; D32-E34 PolarHBondContact OD1-N 2.91Å; D32-V35 HydrophobicContact CB-CG2 4.24Å; D32-V35 PolarHBondContact O-N 3.33Å; D32-C36 PolarHBondContact O-N 3.21Å; D32-C36 PolarHBondContact O-SG 3.07Å
33L89.4Confident89.4Confident35 Ų3563.8 Ų63.818%0.18335%0.346CS..Hα-helixtrans-60.5-28.3174.8-65.5-175.5000112.8I8 W12 V35 C36 K37 L65I8-L33 HydrophobicContact CD1-CD1 4.25Å; I8-L33 HydrophobicContact CG1-CD1 3.63Å; I8-L33 HydrophobicContact CG1-CG 3.87Å; W12-L33 HydrophobicContact CB-CD2 3.85Å; W12-L33 HydrophobicContact CD2-CD2 4.1Å; W12-L33 HydrophobicContact CE3-CD2 4.36Å; W12-L33 HydrophobicContact CG-CD2 3.88Å; L33-V35 VanDerWaalsContact C-N 3.34Å; L33-C36 PolarHBondContact O-N 3.34Å; L33-K37 VanDerWaalsContact O-CG 3.31Å; L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 3.05Å; L33-L65 HydrophobicContact CD1-CD2 4.37Å; L33-L65 HydrophobicContact CD2-CD1 4.22Å
34E88.3Confident89.4Confident114 Ų11456.5 Ų56.553%0.53331%0.312SS..Hα-helixtrans-64.7-38.2173.1-67.9-55.514800112.2D32 K37D32-E34 PolarHBondContact O-N 3.27Å; D32-E34 PolarHBondContact OD1-N 2.91Å; E34-K37 IonicContact OE1-NZ 2.91Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; E34-K37 IonicContact OE2-NZ 2.79Å; E34-K37 PolarHBondContact OE2-NZ 3.19Å
35V88.8Confident89.3Confident57 Ų5757.4 Ų57.435%0.34531%0.314SS..Hα-helixtrans-76-40.6175.6-172.80000110Y30 D32 L33 K37 Q38Y30-V35 HydrophobicContact CD1-CG1 3.7Å; Y30-V35 HydrophobicContact CE1-CG1 3.96Å; D32-V35 HydrophobicContact CB-CG2 4.24Å; D32-V35 PolarHBondContact O-N 3.33Å; L33-V35 VanDerWaalsContact C-N 3.34Å; V35-K37 PolarHBondContact O-N 2.87Å; V35-K37 VanDerWaalsContact O-N 3.15Å; V35-Q38 WeakPolarHBondContact O-CB 3.31Å; V35-Q38 PolarHBondContact O-N 3.25Å
36C88.5Confident89.2Confident0 Ų060.6 Ų60.60%034%0.34CS..Hα-helixtrans-59.8-26.4175.6-64.10000113.2W12 D32 L33 Q38 I39 V62W12-C36 HydrophobicContact CH2-CB 4.44Å; W12-C36 HydrophobicContact CZ3-CB 4.25Å; D32-C36 PolarHBondContact O-N 3.21Å; D32-C36 PolarHBondContact O-SG 3.07Å; L33-C36 PolarHBondContact O-N 3.34Å; C36-Q38 PolarHBondContact O-N 3.39Å; C36-I39 HydrophobicContact CB-CD1 4.25Å; C36-I39 WeakPolarHBondContact O-CB 3.24Å; C36-I39 PolarHBondContact O-N 3.48Å; C36-V62 WeakPolarHBondContact O-CG2 3.48Å
37K88.8Confident89.2Confident32 Ų3258.9 Ų58.914%0.13933%0.329CS..THydrogen-bonded Turntrans-61.8-26172.7-75.6168.8-162.91710112.5L33 E34 V35 L65 K66L33-K37 VanDerWaalsContact O-CG 3.31Å; L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 3.05Å; E34-K37 IonicContact OE1-NZ 2.91Å; E34-K37 PolarHBondContact OE1-NZ 3.27Å; E34-K37 IonicContact OE2-NZ 2.79Å; E34-K37 PolarHBondContact OE2-NZ 3.19Å; V35-K37 PolarHBondContact O-N 2.87Å; V35-K37 VanDerWaalsContact O-N 3.15Å; K37-L65 HydrophobicContact CG-CB 4.35Å; K37-K66 HydrophobicContact CB-CG 4.45Å; K37-K66 HydrophobicContact CG-CG 4.31Å; K37-K66 WeakPolarHBondContact O-CE 3.36Å; K37-K66 PolarHBondContact O-NZ 3.28Å
38Q87.3Confident89.1Confident157 Ų15753.9 Ų53.973%0.73431%0.308SS*.THydrogen-bonded Turntrans-89.5-3.9-176.8-57.7-169.95.900113.5V35 C36 G40V35-Q38 WeakPolarHBondContact O-CB 3.31Å; V35-Q38 PolarHBondContact O-N 3.25Å; C36-Q38 PolarHBondContact O-N 3.39Å; Q38-G40 PolarHBondContact O-N 3.31Å; Q38-G40 VanDerWaalsContact O-N 3.17Å
39I88.8Confident89.2Confident7 Ų750.2 Ų50.24%0.03629%0.289CS..  trans-55.6119.7178.6-77.7173.4000111.5F25 Y30 C36 D43 L44 I47 I58F25-I39 HydrophobicContact CD1-CD1 4.03Å; F25-I39 HydrophobicContact CE1-CD1 3.31Å; F25-I39 HydrophobicContact CZ-CD1 4.1Å; Y30-I39 HydrophobicContact CD1-CD1 3.67Å; Y30-I39 HydrophobicContact CD1-CG1 3.55Å; Y30-I39 HydrophobicContact CE1-CD1 3.97Å; Y30-I39 HydrophobicContact CE1-CG1 3.32Å; Y30-I39 HydrophobicContact CG-CD1 4.15Å; Y30-I39 HydrophobicContact CG-CG1 4.4Å; C36-I39 HydrophobicContact CB-CD1 4.25Å; C36-I39 WeakPolarHBondContact O-CB 3.24Å; C36-I39 PolarHBondContact O-N 3.48Å; I39-D43 HydrophobicContact CG1-CB 4.5Å; I39-D43 HydrophobicContact CG2-CB 4.48Å; I39-L44 HydrophobicContact CG2-CD2 3.83Å; I39-L44 HydrophobicContact CG2-CG 3.91Å; I39-I47 HydrophobicContact CD1-CD1 4.49Å; I39-I58 HydrophobicContact CG2-CG2 4.47Å
40G88.8Confident89.2Confident22 Ų2256 Ų5623%0.22730%0.299CS..  trans-102.8-178.9169.500000112.8Q38 P42 D43 L44Q38-G40 PolarHBondContact O-N 3.31Å; Q38-G40 VanDerWaalsContact O-N 3.17Å; G40-P42 VanDerWaalsContact C-CD 3.48Å; G40-D43 PolarHBondContact N-OD2 2.91Å; G40-D43 PolarHBondContact O-N 3.25Å; G40-L44 PolarHBondContact O-N 3.29Å
41E86.3Confident89.2Confident131 Ų13158.2 Ų58.261%0.61231%0.312SS*.Hα-helixtrans-56.1-45171.3-68.7-174.918000113.9D43 L44 D45 R55E41-D43 VanDerWaalsContact C-N 3.29Å; E41-D43 PolarHBondContact O-N 2.86Å; E41-L44 PolarHBondContact O-N 3.27Å; E41-D45 PolarHBondContact O-N 3.39Å; E41-R55 PolarHBondContact O-NH2 3.4Å
42P88Confident89.1Confident92 Ų9260 Ų6060%0.59733%0.327SS*.Hα-helixtrans-68.2-28.2-178.727-35.5000113.1G40 D45 A46G40-P42 VanDerWaalsContact C-CD 3.48Å; P42-D45 PolarHBondContact O-N 2.96Å; P42-A46 PolarHBondContact O-N 3.29Å
43D91.3Very high89.1Confident45 Ų4561.9 Ų61.924%0.24133%0.333CS..Hα-helixtrans-69-38.1178.5-57.3-50.4000111.3Y30 I39 G40 E41 D45 A46 I47Y30-D43 HydrophobicContact CE2-CB 4.48Å; Y30-D43 VanDerWaalsContact OH-CB 3.26Å; Y30-D43 WeakPolarHBondContact OH-CB 3.29Å; Y30-D43 PolarHBondContact OH-OD1 3.39Å; I39-D43 HydrophobicContact CG1-CB 4.5Å; I39-D43 HydrophobicContact CG2-CB 4.48Å; G40-D43 PolarHBondContact N-OD2 2.91Å; G40-D43 PolarHBondContact O-N 3.25Å; E41-D43 VanDerWaalsContact C-N 3.29Å; E41-D43 PolarHBondContact O-N 2.86Å; D43-D45 PolarHBondContact O-N 3.38Å; D43-A46 PolarHBondContact O-N 3.05Å; D43-I47 WeakPolarHBondContact O-CD1 3.43Å; D43-I47 WeakPolarHBondContact O-CG1 3.3Å; D43-I47 PolarHBondContact O-N 3.19Å
44L90.6Very high89.3Confident0 Ų061.7 Ų61.70%033%0.331CS..Hα-helixtrans-64.6-32.3173.8-65.6178.2000112.1F25 I39 G40 E41 G48 V49 R55 I58 H59F25-L44 HydrophobicContact CZ-CD2 4.4Å; I39-L44 HydrophobicContact CG2-CD2 3.83Å; I39-L44 HydrophobicContact CG2-CG 3.91Å; G40-L44 PolarHBondContact O-N 3.29Å; E41-L44 PolarHBondContact O-N 3.27Å; L44-G48 PolarHBondContact O-N 3.23Å; L44-V49 HydrophobicContact CB-CB 4.36Å; L44-V49 HydrophobicContact CD2-CB 4.43Å; L44-V49 HydrophobicContact CD2-CG2 4.42Å; L44-V49 PolarHBondContact O-N 3.43Å; L44-R55 HydrophobicContact CB-CG 4.41Å; L44-R55 HydrophobicContact CD1-CB 3.84Å; L44-R55 HydrophobicContact CD1-CG 3.89Å; L44-I58 HydrophobicContact CD2-CB 4.44Å; L44-I58 HydrophobicContact CD2-CD1 3.91Å; L44-I58 HydrophobicContact CD2-CG2 4Å; L44-H59 VanDerWaalsContact CD1-NE2 3.32Å; L44-H59 WeakPolarHBondContact CD1-NE2 3.48Å
45D89.2Confident89.5Confident60 Ų6058.7 Ų58.732%0.32132%0.315SS..Hα-helixtrans-72.3-34.8175.1-65.6-41.2000111.5E41 P42 D43 G48 Y50 R55E41-D45 PolarHBondContact O-N 3.39Å; P42-D45 PolarHBondContact O-N 2.96Å; D43-D45 PolarHBondContact O-N 3.38Å; D45-G48 PolarHBondContact O-N 2.95Å; D45-Y50 PolarHBondContact O-OH 3.26Å; D45-R55 IonicContact OD1-CZ 2.68Å; D45-R55 VanDerWaalsContact OD1-CZ 3.28Å; D45-R55 IonicContact OD1-NH1 3.73Å; D45-R55 PolarHBondContact OD1-NH1 2.96Å; D45-R55 IonicContact OD1-NH2 2.92Å; D45-R55 PolarHBondContact OD1-NH2 3.46Å; D45-R55 IonicContact OD2-CZ 3.19Å; D45-R55 IonicContact OD2-NH1 2.73Å; D45-R55 IonicContact OD2-NH2 2.93Å; D45-R55 PolarHBondContact OD2-NH2 2.82Å
46A89.4Confident89.6Confident67 Ų6762.2 Ų62.255%0.55433%0.328SS*.Hα-helixtrans-69.3-39.2174.400000112.9P42 D43 G48P42-A46 PolarHBondContact O-N 3.29Å; D43-A46 PolarHBondContact O-N 3.05Å; A46-G48 PolarHBondContact O-N 3.22Å
47I89.8Confident89.8Confident10 Ų1065.7 Ų65.75%0.05134%0.341CS..Hα-helixtrans-71.4-19.5175.7-63.3163.2000111.5F25 N28 Y30 I39 D43 V49F25-I47 HydrophobicContact CD1-CD1 4.27Å; F25-I47 HydrophobicContact CD2-CD1 4.13Å; F25-I47 HydrophobicContact CD2-CG2 3.57Å; F25-I47 HydrophobicContact CE1-CD1 4.16Å; F25-I47 HydrophobicContact CE2-CD1 4.04Å; F25-I47 HydrophobicContact CE2-CG2 3.74Å; F25-I47 HydrophobicContact CG-CD1 4.26Å; F25-I47 HydrophobicContact CG-CG2 4.45Å; F25-I47 HydrophobicContact CZ-CD1 4.04Å; N28-I47 HydrophobicContact CB-CG1 4.08Å; Y30-I47 HydrophobicContact CD2-CD1 3.71Å; Y30-I47 HydrophobicContact CD2-CG1 4.18Å; Y30-I47 HydrophobicContact CE2-CD1 3.82Å; Y30-I47 HydrophobicContact CE2-CG1 4.2Å; Y30-I47 HydrophobicContact CG-CD1 4.4Å; I39-I47 HydrophobicContact CD1-CD1 4.49Å; D43-I47 WeakPolarHBondContact O-CD1 3.43Å; D43-I47 WeakPolarHBondContact O-CG1 3.3Å; D43-I47 PolarHBondContact O-N 3.19Å; I47-V49 HydrophobicContact CB-CG2 4.4Å; I47-V49 HydrophobicContact CG2-CG2 3.97Å
48G88.3Confident90Very high26 Ų2664.1 Ų64.127%0.26833%0.334SS..THydrogen-bonded Turntrans90.722.9-179.600000114.4L44 D45 A46 Y50L44-G48 PolarHBondContact O-N 3.23Å; D45-G48 PolarHBondContact O-N 2.95Å; A46-G48 PolarHBondContact O-N 3.22Å; G48-Y50 WeakPolarHBondContact O-CD2 3.39Å; G48-Y50 PolarHBondContact O-N 2.95Å
49V90.2Very high90.2Very high0 Ų058.9 Ų58.90%031%0.31CS..  trans-88.876.1175.8-169.30000110.4Y21 F25 L44 I47 H54 R55 I58Y21-V49 HydrophobicContact CD1-CG2 3.79Å; Y21-V49 HydrophobicContact CE1-CG2 3.97Å; Y21-V49 HydrophobicContact CG-CG2 4.15Å; F25-V49 HydrophobicContact CE2-CG2 4.36Å; L44-V49 HydrophobicContact CB-CB 4.36Å; L44-V49 HydrophobicContact CD2-CB 4.43Å; L44-V49 HydrophobicContact CD2-CG2 4.42Å; L44-V49 PolarHBondContact O-N 3.43Å; I47-V49 HydrophobicContact CB-CG2 4.4Å; I47-V49 HydrophobicContact CG2-CG2 3.97Å; V49-H54 HydrophobicContact CG1-CB 3.71Å; V49-R55 HydrophobicContact CG1-CG 4.21Å; V49-R55 WeakPolarHBondContact O-CD 3.3Å; V49-R55 WeakPolarHBondContact O-CG 3.32Å; V49-I58 HydrophobicContact CG1-CD1 4.05Å; V49-I58 HydrophobicContact CG2-CD1 4.38Å
50Y87.7Confident90.3Very high164 Ų16461.5 Ų61.564%0.64332%0.323SS*.  trans-79.8-15.7-179-55.5-63.4000114.3D45 G48 P52D45-Y50 PolarHBondContact O-OH 3.26Å; G48-Y50 WeakPolarHBondContact O-CD2 3.39Å; G48-Y50 PolarHBondContact O-N 2.95Å; Y50-P52 WeakPolarHBondContact O-CD 3.24Å
51I91.8Very high90.5Very high76 Ų7660.6 Ų60.639%0.3931%0.314SS..  trans-73.6116.8-176.2-61.3172.1000109.5H53 H54 R55I51-H53 VanDerWaalsContact C-N 3.28Å; I51-H53 HydrophobicContact CG2-CB 4.22Å; I51-H53 PolarHBondContact O-N 3.49Å; I51-H54 HydrophobicContact CB-CB 4.17Å; I51-H54 HydrophobicContact CG2-CB 4.36Å; I51-H54 PolarHBondContact O-N 3.09Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.39Å
52P89.2Confident90.7Very high94 Ų9454.6 Ų54.661%0.6129%0.286SS*.Hα-helixtrans-63.1-33.8-172.724.1-34.1000112.8Y50 H54 R55 Q56Y50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-H54 PolarHBondContact O-N 2.92Å; P52-R55 PolarHBondContact O-N 2.81Å; P52-Q56 PolarHBondContact O-N 3.12Å
53H91.9Very high90.8Very high110 Ų11057.4 Ų57.451%0.50929%0.285SS..Hα-helixtrans-62.3-42.1174.6-177.162.7000112.1I51 Q56 R57I51-H53 VanDerWaalsContact C-N 3.28Å; I51-H53 HydrophobicContact CG2-CB 4.22Å; I51-H53 PolarHBondContact O-N 3.49Å; H53-Q56 PolarHBondContact O-N 3.06Å; H53-R57 WeakPolarHBondContact O-CG 3.39Å; H53-R57 PolarHBondContact O-N 3.47Å; H53-R57 VanDerWaalsContact O-N 3.08Å
54H92Very high90.8Very high32 Ų3263.5 Ų63.515%0.14831%0.305CS..Hα-helixtrans-68.5-40.8177.8-63.5-179.4000110.8L18 Y21 V49 I51 P52 Q56 R57 I58L18-H54 HydrophobicContact CD1-CB 4.47Å; L18-H54 HydrophobicContact CD2-CB 4.01Å; Y21-H54 AromaticContact CE2-ND1 3.47Å; Y21-H54 WeakPolarHBondContact CE2-ND1 3.49Å; Y21-H54 AromaticContact CZ-ND1 3.68Å; Y21-H54 PolarHBondContact OH-ND1 3.45Å; V49-H54 HydrophobicContact CG1-CB 3.71Å; I51-H54 HydrophobicContact CB-CB 4.17Å; I51-H54 HydrophobicContact CG2-CB 4.36Å; I51-H54 PolarHBondContact O-N 3.09Å; P52-H54 PolarHBondContact O-N 2.92Å; H54-Q56 PolarHBondContact O-N 3.04Å; H54-R57 PolarHBondContact O-N 2.85Å; H54-I58 WeakPolarHBondContact O-CG1 3.29Å; H54-I58 PolarHBondContact O-N 3.3Å
55R92.5Very high90.7Very high50 Ų5064.6 Ų64.619%0.18931%0.31CS..Hα-helixtrans-56.8-48.1174.9-63.9178.175.2151.510.8111.6E41 L44 D45 V49 I51 P52 R57 I58 H59E41-R55 PolarHBondContact O-NH2 3.4Å; L44-R55 HydrophobicContact CB-CG 4.41Å; L44-R55 HydrophobicContact CD1-CB 3.84Å; L44-R55 HydrophobicContact CD1-CG 3.89Å; D45-R55 IonicContact OD1-CZ 2.68Å; D45-R55 VanDerWaalsContact OD1-CZ 3.28Å; D45-R55 IonicContact OD1-NH1 3.73Å; D45-R55 PolarHBondContact OD1-NH1 2.96Å; D45-R55 IonicContact OD1-NH2 2.92Å; D45-R55 PolarHBondContact OD1-NH2 3.46Å; D45-R55 IonicContact OD2-CZ 3.19Å; D45-R55 IonicContact OD2-NH1 2.73Å; D45-R55 IonicContact OD2-NH2 2.93Å; D45-R55 PolarHBondContact OD2-NH2 2.82Å; V49-R55 HydrophobicContact CG1-CG 4.21Å; V49-R55 WeakPolarHBondContact O-CD 3.3Å; V49-R55 WeakPolarHBondContact O-CG 3.32Å; I51-R55 WeakPolarHBondContact O-CG 3.49Å; I51-R55 PolarHBondContact O-N 3.39Å; P52-R55 PolarHBondContact O-N 2.81Å; R55-R57 PolarHBondContact O-N 3.04Å; R55-I58 PolarHBondContact O-N 2.88Å; R55-H59 WeakPolarHBondContact O-CB 3.44Å; R55-H59 PolarHBondContact O-CD2 3.33Å; R55-H59 PolarHBondContact O-N 3.03Å
56Q91.8Very high90.6Very high131 Ų13167 Ų6761%0.61232%0.318SS*.Hα-helixtrans-61.2-44.2176.8-75.9-173.4-12.300112.4P52 H53 H54 I58 H59 D60P52-Q56 PolarHBondContact O-N 3.12Å; H53-Q56 PolarHBondContact O-N 3.06Å; H54-Q56 PolarHBondContact O-N 3.04Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 3.36Å; Q56-H59 PolarHBondContact O-N 2.91Å; Q56-D60 WeakPolarHBondContact O-CB 2.79Å; Q56-D60 PolarHBondContact O-N 3.42Å
57R92.6Very high90.3Very high73 Ų7369.3 Ų69.328%0.27532%0.317SS..Hα-helixtrans-60.1-43.4177.8-73.6-176.174.51719.4112.3L16 L18 H53 H54 R55 A61L16-R57 PolarHBondContact O-NH1 3.38Å; L16-R57 PolarHBondContact O-NH2 3.08Å; L18-R57 HydrophobicContact CD1-CB 4.23Å; H53-R57 WeakPolarHBondContact O-CG 3.39Å; H53-R57 PolarHBondContact O-N 3.47Å; H53-R57 VanDerWaalsContact O-N 3.08Å; H54-R57 PolarHBondContact O-N 2.85Å; R55-R57 PolarHBondContact O-N 3.04Å; R57-A61 WeakPolarHBondContact O-CB 3.33Å; R57-A61 PolarHBondContact O-N 3.47Å
58I92.2Very high89.8Confident0 Ų074.7 Ų74.70%034%0.342CS..Hα-helixtrans-66.2-47178.1-65.9162.9000110W12 L18 F25 I39 L44 V49 H54 R55 Q56 D60 A61 V62W12-I58 HydrophobicContact CH2-CG2 4.05Å; L18-I58 HydrophobicContact CD1-CD1 4.05Å; L18-I58 HydrophobicContact CD1-CG1 3.63Å; F25-I58 HydrophobicContact CE2-CD1 4.46Å; F25-I58 HydrophobicContact CZ-CD1 4.13Å; F25-I58 HydrophobicContact CZ-CG2 4.42Å; I39-I58 HydrophobicContact CG2-CG2 4.47Å; L44-I58 HydrophobicContact CD2-CB 4.44Å; L44-I58 HydrophobicContact CD2-CD1 3.91Å; L44-I58 HydrophobicContact CD2-CG2 4Å; V49-I58 HydrophobicContact CG1-CD1 4.05Å; V49-I58 HydrophobicContact CG2-CD1 4.38Å; H54-I58 WeakPolarHBondContact O-CG1 3.29Å; H54-I58 PolarHBondContact O-N 3.3Å; R55-I58 PolarHBondContact O-N 2.88Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 3.36Å; I58-D60 PolarHBondContact O-N 3.41Å; I58-A61 WeakPolarHBondContact O-CB 3.5Å; I58-A61 PolarHBondContact O-N 3.09Å; I58-A61 VanDerWaalsContact O-N 3.16Å; I58-V62 HydrophobicContact CG2-CG2 4.24Å; I58-V62 WeakPolarHBondContact O-CB 3.01Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.21Å; I58-V62 PolarHBondContact O-N 3.14Å
59H91.8Very high89.1Confident47 Ų4775 Ų7522%0.21834%0.343CS..Hα-helixtrans-60.6-41.7177.7-79.9-55000113.3L44 R55 Q56 A61 V62 R63L44-H59 VanDerWaalsContact CD1-NE2 3.32Å; L44-H59 WeakPolarHBondContact CD1-NE2 3.48Å; R55-H59 WeakPolarHBondContact O-CB 3.44Å; R55-H59 PolarHBondContact O-CD2 3.33Å; R55-H59 PolarHBondContact O-N 3.03Å; Q56-H59 PolarHBondContact O-N 2.91Å; H59-A61 VanDerWaalsContact C-N 3.33Å; H59-V62 PolarHBondContact O-N 3.3Å; H59-R63 WeakPolarHBondContact O-CB 3.38Å; H59-R63 PolarHBondContact O-N 3.32Å
60D92.3Very high88.2Confident61 Ų6182.8 Ų82.833%0.32638%0.376SS..Hα-helixtrans-65.5-38.6175.9-79.2-16.3000111.6Q56 I58 R63 R64Q56-D60 WeakPolarHBondContact O-CB 2.79Å; Q56-D60 PolarHBondContact O-N 3.42Å; I58-D60 PolarHBondContact O-N 3.41Å; D60-R63 WeakPolarHBondContact O-CB 3.11Å; D60-R63 PolarHBondContact O-N 3.05Å; D60-R63 IonicContact OD1-CZ 2.99Å; D60-R63 IonicContact OD1-NH1 3.28Å; D60-R63 PolarHBondContact OD1-NH1 2.82Å; D60-R63 IonicContact OD1-NH2 3.6Å; D60-R63 PolarHBondContact OD1-NH2 3.18Å; D60-R64 WeakPolarHBondContact O-CG 3.41Å; D60-R64 PolarHBondContact O-N 3.36Å; D60-R64 VanDerWaalsContact O-N 3.1Å
61A91.8Very high87Confident4 Ų479.5 Ų79.53%0.03337%0.367CS..Hα-helixtrans-66.1-42.517500000112.3W12 L16 R57 I58 H59 R63 R64 L65W12-A61 HydrophobicContact CZ2-CB 3.69Å; L16-A61 HydrophobicContact CD1-CB 3.42Å; L16-A61 VanDerWaalsContact CD1-CB 3.42Å; L16-A61 HydrophobicContact CD2-CB 3.57Å; L16-A61 HydrophobicContact CG-CB 4.1Å; R57-A61 WeakPolarHBondContact O-CB 3.33Å; R57-A61 PolarHBondContact O-N 3.47Å; I58-A61 WeakPolarHBondContact O-CB 3.5Å; I58-A61 PolarHBondContact O-N 3.09Å; I58-A61 VanDerWaalsContact O-N 3.16Å; H59-A61 VanDerWaalsContact C-N 3.33Å; A61-R63 VanDerWaalsContact C-N 3.32Å; A61-R63 PolarHBondContact O-N 3.01Å; A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 2.96Å; A61-L65 PolarHBondContact O-N 3.25Å
62V91.6Very high85.6Confident4 Ų479.9 Ų79.92%0.02437%0.373CS..Hα-helixtrans-62.2-39.7174.2168.60000111.1W12 C36 I58 H59 R64 L65 K66W12-V62 HydrophobicContact CH2-CG2 3.87Å; W12-V62 HydrophobicContact CZ2-CG2 3.92Å; C36-V62 WeakPolarHBondContact O-CG2 3.48Å; I58-V62 HydrophobicContact CG2-CG2 4.24Å; I58-V62 WeakPolarHBondContact O-CB 3.01Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.21Å; I58-V62 PolarHBondContact O-N 3.14Å; H59-V62 PolarHBondContact O-N 3.3Å; V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 3.34Å; V62-L65 PolarHBondContact O-N 2.82Å; V62-K66 WeakPolarHBondContact O-CG 3.26Å; V62-K66 PolarHBondContact O-N 3.14Å; V62-K66 VanDerWaalsContact O-N 3.07Å
63R90.3Very high84.2Confident152 Ų15278.6 Ų78.657%0.57437%0.37SS*.Hα-helixtrans-59.5-44.2174.3-167-171.9-57124.512111.2H59 D60 A61 K66 E67H59-R63 WeakPolarHBondContact O-CB 3.38Å; H59-R63 PolarHBondContact O-N 3.32Å; D60-R63 WeakPolarHBondContact O-CB 3.11Å; D60-R63 PolarHBondContact O-N 3.05Å; D60-R63 IonicContact OD1-CZ 2.99Å; D60-R63 IonicContact OD1-NH1 3.28Å; D60-R63 PolarHBondContact OD1-NH1 2.82Å; D60-R63 IonicContact OD1-NH2 3.6Å; D60-R63 PolarHBondContact OD1-NH2 3.18Å; A61-R63 VanDerWaalsContact C-N 3.32Å; A61-R63 PolarHBondContact O-N 3.01Å; R63-K66 PolarHBondContact O-N 2.97Å; R63-E67 PolarHBondContact O-N 2.89Å
64R89.3Confident82.7Confident173 Ų17376.1 Ų76.165%0.65337%0.365SS*.Hα-helixtrans-64.4-42.7176.8-69.1172.4-175.2167.23.7112.3D60 A61 V62 K66 E67 E68D60-R64 WeakPolarHBondContact O-CG 3.41Å; D60-R64 PolarHBondContact O-N 3.36Å; D60-R64 VanDerWaalsContact O-N 3.1Å; A61-R64 WeakPolarHBondContact O-CB 3.27Å; A61-R64 PolarHBondContact O-N 2.96Å; V62-R64 VanDerWaalsContact C-N 3.33Å; V62-R64 PolarHBondContact O-N 3.34Å; R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.82Å; R64-E67 PolarHBondContact O-N 3.31Å; R64-E67 VanDerWaalsContact O-N 3.14Å; R64-E68 PolarHBondContact O-N 3.26Å
65L88.8Confident80.9Confident23 Ų2377.8 Ų77.812%0.1239%0.391CS..Hα-helixtrans-58.8-38.9175.7-76.8174.5000112.4W12 L33 K37 A61 V62 A69W12-L65 HydrophobicContact CD2-CD1 4.31Å; W12-L65 HydrophobicContact CZ2-CD1 3.8Å; L33-L65 HydrophobicContact CD1-CD2 4.37Å; L33-L65 HydrophobicContact CD2-CD1 4.22Å; K37-L65 HydrophobicContact CG-CB 4.35Å; A61-L65 PolarHBondContact O-N 3.25Å; V62-L65 PolarHBondContact O-N 2.82Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 2.68Å; L65-A69 VanDerWaalsContact O-N 3.16Å
66K87.4Confident79.3Confident109 Ų10982.9 Ų82.947%0.47442%0.421SS..Hα-helixtrans-65.6-39.2175.7-71.8176.7179.6177.30112.3K37 V62 R63 R64 K70K37-K66 HydrophobicContact CB-CG 4.45Å; K37-K66 HydrophobicContact CG-CG 4.31Å; K37-K66 WeakPolarHBondContact O-CE 3.36Å; K37-K66 PolarHBondContact O-NZ 3.28Å; V62-K66 WeakPolarHBondContact O-CG 3.26Å; V62-K66 PolarHBondContact O-N 3.14Å; V62-K66 VanDerWaalsContact O-N 3.07Å; R63-K66 PolarHBondContact O-N 2.97Å; R64-K66 VanDerWaalsContact C-N 3.28Å; R64-K66 PolarHBondContact O-N 2.82Å; K66-K70 PolarHBondContact O-N 2.75Å; K66-K70 VanDerWaalsContact O-N 3.14Å
67E84.3Confident77.2Confident116 Ų11683.6 Ų83.654%0.54242%0.419SS..Hα-helixtrans-70.2-42.7179.9-171.3154.7-145.400111.9R63 R64 A69 K70 E71R63-E67 PolarHBondContact O-N 2.89Å; R64-E67 PolarHBondContact O-N 3.31Å; R64-E67 VanDerWaalsContact O-N 3.14Å; E67-A69 PolarHBondContact O-N 3.06Å; E67-K70 WeakPolarHBondContact O-CB 3.39Å; E67-K70 PolarHBondContact O-N 3.47Å; E67-K70 VanDerWaalsContact O-N 3.12Å; E67-E71 PolarHBondContact O-N 2.93Å
68E78.7Confident75.3Confident124 Ų12488.9 Ų88.958%0.57944%0.444SS*.Hα-helixtrans-61.7-41.4175.4-174.8176.4178.300112.3R64 K70 E71 T72R64-E68 PolarHBondContact O-N 3.26Å; E68-K70 VanDerWaalsContact C-N 3.29Å; E68-K70 PolarHBondContact O-N 3.06Å; E68-E71 PolarHBondContact O-N 2.89Å; E68-T72 WeakPolarHBondContact O-CB 3.31Å; E68-T72 WeakPolarHBondContact O-CG2 3.35Å; E68-T72 PolarHBondContact O-N 3.49Å; E68-T72 PolarHBondContact O-OG1 3.23Å
69A73.8Confident73.5Confident33 Ų3392.7 Ų92.727%0.27347%0.468SS..Hα-helixtrans-63-36.3174.600000112.2L65 E67 T72 A73L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 2.68Å; L65-A69 VanDerWaalsContact O-N 3.16Å; E67-A69 PolarHBondContact O-N 3.06Å; A69-T72 WeakPolarHBondContact CA-OG1 3.45Å; A69-T72 PolarHBondContact O-OG1 2.9Å; A69-T72 VanDerWaalsContact O-OG1 3.09Å; A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.49Å
70K70.1Confident71.5Confident162 Ų16297 Ų9770%0.70449%0.492SS*.Hα-helixtrans-70.8-42.1176.6-173.3-178.3178.1-174.70111.6K66 E67 E68 S74K66-K70 PolarHBondContact O-N 2.75Å; K66-K70 VanDerWaalsContact O-N 3.14Å; E67-K70 WeakPolarHBondContact O-CB 3.39Å; E67-K70 PolarHBondContact O-N 3.47Å; E67-K70 VanDerWaalsContact O-N 3.12Å; E68-K70 VanDerWaalsContact C-N 3.29Å; E68-K70 PolarHBondContact O-N 3.06Å; K70-S74 VanDerWaalsContact O-CB 3.27Å; K70-S74 WeakPolarHBondContact O-CB 3.43Å; K70-S74 PolarHBondContact O-N 3.09Å; K70-S74 PolarHBondContact O-OG 2.71Å
71E64Low69.7Low96 Ų96101.8 Ų101.845%0.44951%0.512SS..Hα-helixtrans-66-45.1178-75.3-166.3-176.800112.1E67 E68 S74 G75E67-E71 PolarHBondContact O-N 2.93Å; E68-E71 PolarHBondContact O-N 2.89Å; E71-S74 WeakPolarHBondContact CA-OG 3.39Å; E71-S74 CarbonylContact O-C 3.59Å; E71-S74 PolarHBondContact O-N 3.2Å; E71-S74 PolarHBondContact O-OG 3.4Å; E71-G75 PolarHBondContact O-N 3.28Å
72T62Low67.7Low84 Ų84107 Ų10752%0.51555%0.546SS..Hα-helixtrans-64-39.2176.245.60000112.2E68 A69 S74E68-T72 WeakPolarHBondContact O-CB 3.31Å; E68-T72 WeakPolarHBondContact O-CG2 3.35Å; E68-T72 PolarHBondContact O-N 3.49Å; E68-T72 PolarHBondContact O-OG1 3.23Å; A69-T72 WeakPolarHBondContact CA-OG1 3.45Å; A69-T72 PolarHBondContact O-OG1 2.9Å; A69-T72 VanDerWaalsContact O-OG1 3.09Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.27Å
73A59.5Low65.5Low66 Ų66114.9 Ų114.955%0.54559%0.585SS.*Hα-helixtrans-64-36.6170.200000112A69 Y77A69-A73 VanDerWaalsContact O-CB 3.24Å; A69-A73 WeakPolarHBondContact O-CB 3.19Å; A69-A73 PolarHBondContact O-N 3.49Å; A73-Y77 VanDerWaalsContact O-CD1 3.26Å; A73-Y77 WeakPolarHBondContact O-CD1 3.46Å
74S61.1Low63.5Low58 Ų58112.2 Ų112.241%0.40659%0.587SS.*Hα-helixtrans-77.4-27.5-177.675.90000115.3K70 E71 T72 Y77K70-S74 VanDerWaalsContact O-CB 3.27Å; K70-S74 WeakPolarHBondContact O-CB 3.43Å; K70-S74 PolarHBondContact O-N 3.09Å; K70-S74 PolarHBondContact O-OG 2.71Å; E71-S74 WeakPolarHBondContact CA-OG 3.39Å; E71-S74 CarbonylContact O-C 3.59Å; E71-S74 PolarHBondContact O-N 3.2Å; E71-S74 PolarHBondContact O-OG 3.4Å; T72-S74 VanDerWaalsContact C-N 3.31Å; T72-S74 PolarHBondContact O-N 3.27Å; S74-Y77 VanDerWaalsContact CA-CE1 3.4Å; S74-Y77 WeakPolarHBondContact O-CE1 3.09Å
75G53.8Low61.5Low68 Ų68109.9 Ų109.970%0.70159%0.594SS**THydrogen-bonded Turntrans-84.6-6.6-176.900000115.1E71E71-G75 PolarHBondContact O-N 3.28Å
76L59.3Low59.3Low157 Ų157113.2 Ų113.282%0.82263%0.625SS**SBendtrans-125.2-0.5-173.4-100.3150.9000114.1F78L76-F78 PolarHBondContact O-N 3.31Å
77Y46.9Very low57.3Low145 Ų145112 Ų11257%0.56964%0.636SS**  trans-77.8117.9170.664.8-119.9000110A73 S74 T79A73-Y77 VanDerWaalsContact O-CD1 3.26Å; A73-Y77 WeakPolarHBondContact O-CD1 3.46Å; S74-Y77 VanDerWaalsContact CA-CE1 3.4Å; S74-Y77 WeakPolarHBondContact O-CE1 3.09Å; Y77-T79 HydrophobicContact CD2-CG2 4.32Å; Y77-T79 WeakPolarHBondContact CD2-OG1 3.48Å; Y77-T79 WeakPolarHBondContact CE2-OG1 3.29Å; Y77-T79 PolarHBondContact O-N 3.08Å
78F52.1Low55.2Low184 Ų184115.7 Ų115.781%0.80765%0.652SS**  trans-74.975.3141.4-179.1-95.1000104.9L76 L80L76-F78 PolarHBondContact O-N 3.31Å; F78-L80 HydrophobicContact CD1-CD2 4.46Å; F78-L80 HydrophobicContact CD1-CG 4.09Å; F78-L80 HydrophobicContact CE1-CD1 4.33Å; F78-L80 HydrophobicContact CE1-CD2 3.63Å; F78-L80 HydrophobicContact CE1-CG 3.68Å; F78-L80 HydrophobicContact CZ-CD2 4.19Å; F78-L80 PolarHBondContact O-N 3.08Å
79T54Low53.6Low81 Ų81117.5 Ų117.550%0.49766%0.664SS.*  trans-75.9101.5178.164.80000105.3Y77 E81Y77-T79 HydrophobicContact CD2-CG2 4.32Å; Y77-T79 WeakPolarHBondContact CD2-OG1 3.48Å; Y77-T79 WeakPolarHBondContact CE2-OG1 3.29Å; Y77-T79 PolarHBondContact O-N 3.08Å; T79-E81 PolarHBondContact O-N 3.32Å
80L50.6Low51.9Low137 Ų137126.1 Ų126.172%0.71769%0.691SS**  trans-55.493.9150.9-71.1172000105.4F78 P82F78-L80 HydrophobicContact CD1-CD2 4.46Å; F78-L80 HydrophobicContact CD1-CG 4.09Å; F78-L80 HydrophobicContact CE1-CD1 4.33Å; F78-L80 HydrophobicContact CE1-CD2 3.63Å; F78-L80 HydrophobicContact CE1-CG 3.68Å; F78-L80 HydrophobicContact CZ-CD2 4.19Å; F78-L80 PolarHBondContact O-N 3.08Å; L80-P82 VanDerWaalsContact O-CD 3.3Å; L80-P82 WeakPolarHBondContact O-CD 3.48Å; L80-P82 VanDerWaalsContact O-N 3.09Å
81E53.6Low50.7Low162 Ų162124.4 Ų124.476%0.75770%0.695SS**  trans-48.9115.6165.6-174.2175.4175.300106.2T79 M83T79-E81 PolarHBondContact O-N 3.32Å; E81-M83 PolarHBondContact O-N 3.39Å
82P51.4Low49.3Very low113 Ų113123.5 Ų123.573%0.73471%0.711SS**  trans-60.9114.9177.222.3-29.4000106.8L80L80-P82 VanDerWaalsContact O-CD 3.3Å; L80-P82 WeakPolarHBondContact O-CD 3.48Å; L80-P82 VanDerWaalsContact O-N 3.09Å
83M44.2Very low48.2Very low170 Ų170128.4 Ų128.484%0.83773%0.728SS**PPolyproline II helixtrans-49.5126.2179.5-173.5157.5-76.500108.2E81E81-M83 PolarHBondContact O-N 3.39Å
84P48.8Very low47.2Very low95 Ų95130.8 Ų130.862%0.61774%0.736SS**PPolyproline II helixtrans-54.4135.8176.521.5-31.3000107.8A86P84-A86 PolarHBondContact O-N 3.32Å
85P47.9Very low46.2Very low125 Ų125135 Ų13581%0.81276%0.759SS**PPolyproline II helixtrans-53.1124.1176.722.4-31.5000107.1A87P85-A87 PolarHBondContact O-N 2.9Å
86A41.8Very low45.5Very low93 Ų93140.1 Ų140.177%0.76976%0.764SS**  trans-45.9118.4-17800000108P84 E88P84-A86 PolarHBondContact O-N 3.32Å; A86-E88 PolarHBondContact O-N 2.67Å; A86-E88 VanDerWaalsContact O-N 3.11Å
87A44.6Very low44.3Very low84 Ų84140.9 Ų140.969%0.69476%0.763SS**  trans-46.6125.7172.600000107.5P85 I89P85-A87 PolarHBondContact O-N 2.9Å; A87-I89 PolarHBondContact O-N 3.12Å
88E40.9Very low43.5Very low192 Ų192140.2 Ų140.290%0.89777%0.766SS**  trans-58.792.2173.4-68.4-176.1165.800108.2A86 Y90A86-E88 PolarHBondContact O-N 2.67Å; A86-E88 VanDerWaalsContact O-N 3.11Å; E88-Y90 PolarHBondContact O-N 3.41Å; E88-Y90 VanDerWaalsContact O-N 3.13Å
89I45.4Very low42.7Very low162 Ų162136.9 Ų136.983%0.83177%0.765SS**  trans-8182.5163-57177.2000105.7A87A87-I89 PolarHBondContact O-N 3.12Å
90Y38.6Very low41.9Very low214 Ų214141.5 Ų141.584%0.83978%0.778SS**  trans-143.599.1156.2-142.4-95.9000104.7E88E88-Y90 PolarHBondContact O-N 3.41Å; E88-Y90 VanDerWaalsContact O-N 3.13Å
91T43.3Very low41.9Very low127 Ų127142.6 Ų142.678%0.77978%0.784SS**SBend-153.9130.677.446.60000113
92G35.7Very low41.8Very low77 Ų77146.6 Ų146.679%0.79479%0.792SS**  trans94.194.3144.600000117.5
93H39.5Very low41Very low186 Ų186144.5 Ų144.586%0.86179%0.791SS**  177135.996.4-124.5-27.3000110.9
94T38.1Very low41.2Very low116 Ų116142.4 Ų142.471%0.71279%0.793SS**  trans-48.4127.3164.544.80000113.9
95V39.2Very low41Very low146 Ų146148 Ų14889%0.88580%0.802SS**  -161.9141.4116.5-140.50000110
96E39.1Very low40.7Very low176 Ų176146.2 Ų146.282%0.82279%0.793SS**  trans-68.4141.5-174-56.5160.8145.200114.1
97H33.6Very low40.6Very low173 Ų173153.9 Ų153.980%0.80180%0.802SS**  -162.1104.9128.6-129.363.1000114.1
98E30.4Very low41.2Very low132 Ų132155 Ų15562%0.61780%0.801SS**  trans45.496.5152.2-53.9-151.2145.600120.6K100E98-K100 PolarHBondContact O-N 3.09Å; E98-K100 IonicContact OE2-NZ 2.82Å; E98-K100 PolarHBondContact OE2-NZ 3.17Å
99S35.5Very low41.1Very low114 Ų114153 Ų15380%0.79779%0.791SS**  trans-69.399.6153.638.70000111.8L101S99-L101 PolarHBondContact O-N 2.76Å
100K37.4Very low41.2Very low177 Ų177151 Ų15177%0.7779%0.789SS**  trans-89.979.1153.2-92.2140.5-176.1144.10109.4E98 R102E98-K100 PolarHBondContact O-N 3.09Å; E98-K100 IonicContact OE2-NZ 2.82Å; E98-K100 PolarHBondContact OE2-NZ 3.17Å; K100-R102 PolarHBondContact O-N 3.08Å
101L50.7Low41.1Very low161 Ų161147.8 Ų147.884%0.84379%0.786SS**  trans-68112.6153.6-68.3174.3000107.5S99S99-L101 PolarHBondContact O-N 2.76Å
102R52Low41.3Very low246 Ų246146.6 Ų146.693%0.92878%0.783SS**  trans160.299.6146.8-175.6175.4-61.3-98.40.8108.8K100K100-R102 PolarHBondContact O-N 3.08Å
103G34.9Very low41.7Very low69 Ų69149 Ų14971%0.71178%0.777SS**  trans171.964174.800000114.2R105G103-R105 PolarHBondContact O-N 2.87Å
104S48.3Very low41.6Very low126 Ų126151.7 Ų151.788%0.88178%0.78SS**  trans-47.2127.1153.3-54.80000109
105R44.2Very low41.7Very low212 Ų212154.2 Ų154.280%0.879%0.787SS**  trans-125.2103.2160.7-74.9-167.9168-168.7-6.1109.7G103G103-R105 PolarHBondContact O-N 2.87Å
106S42Very low41.3Very low88 Ų88150.3 Ų150.362%0.61578%0.777SS**  trans-36.3144.8165.6-174.60000112.7T108S106-T108 PolarHBondContact O-N 3.11Å; S106-T108 PolarHBondContact OG-OG1 3.09Å
107W39.7Very low41.1Very low253 Ų253153.7 Ų153.796%0.95878%0.782SS**SBendtrans-69.425.7-179.2-76.689.3000114.9
108T56.3Low41.3Very low109 Ų109153.7 Ų153.767%0.66979%0.788SS**  trans-145.887.5179.951.70000110.3S106S106-T108 PolarHBondContact O-N 3.11Å; S106-T108 PolarHBondContact OG-OG1 3.09Å
109E39.2Very low41.5Very low148 Ų148150.5 Ų150.569%0.69279%0.79SS**  trans-156.6132158.1-108.7161-155.900110.3
110P48.3Very low41.3Very low122 Ų122148.9 Ų148.979%0.79279%0.792SS**  trans-86.4129.2179.633.2-28.4000110.2
111N35.6Very low41.4Very low146 Ų146151.5 Ų151.578%0.78180%0.799SS**  trans-117.176.2174.6-160.833.9000109.9D113N111-D113 PolarHBondContact O-N 3.26Å
112S47.8Very low41.6Very low102 Ų102153.2 Ų153.271%0.71381%0.805SS**  trans-83.488.1158.753.10000107.4
113D43.1Very low41.1Very low126 Ų126145.1 Ų145.167%0.67480%0.797SS**  trans175.7106.6150.2-92.8-41.1000109.7N111N111-D113 PolarHBondContact O-N 3.26Å
114R39.3Very low41.4Very low244 Ų244145.4 Ų145.492%0.92179%0.793SS**  trans179.390.7143.7-96.3163.2-164-147.84.7109.3
115I38.6Very low41.1Very low168 Ų168147.8 Ų147.886%0.86279%0.79SS**  trans-58.8130155.1-82.468.6000107.7
116G31.2Very low41.1Very low65 Ų65147.9 Ų147.967%0.6779%0.791SS**  trans159.797.7164.500000117.5
117R35Very low41.3Very low247 Ų247149.8 Ų149.893%0.93279%0.794SS**  trans73.3114146.4-71.7-176.9178.3-162.4-0.8121.4
118N37.9Very low41.7Very low173 Ų173145.3 Ų145.393%0.92579%0.788SS**  trans16.6119.4140.3-67.89.3000119.6
119G33.8Very low41.4Very low64 Ų64146.6 Ų146.666%0.6680%0.796SS**  trans-174.2121.715900000110.1
120G33.2Very low41.4Very low81 Ų81146.6 Ų146.684%0.83580%0.8SS**  trans-67.5147.4-161.100000117
121Y38.5Very low41.1Very low232 Ų232144.3 Ų144.391%0.9180%0.798SS**  trans-94.693.7169.1-47.3-88000108.9
122M55Low41.7Very low197 Ų197145.4 Ų145.497%0.9780%0.804SS**  trans-105.878.9157.2-82.8-70.1-148.300107.5
123G41.1Very low41.6Very low75 Ų75149.6 Ų149.677%0.77380%0.804SS**  trans-93.790.1173.400000110.5Q125G123-Q125 PolarHBondContact O-N 2.99Å
124A41Very low42Very low75 Ų75155.1 Ų155.162%0.6282%0.816SS**  trans1697.216100000117.7R126A124-R126 PolarHBondContact O-N 2.78Å
125Q41.5Very low42.7Very low177 Ų177151.5 Ų151.583%0.82781%0.809SS**  trans-62.9111.2152.2-79.3-165.1-9700108.9G123G123-Q125 PolarHBondContact O-N 2.99Å
126R46Very low43.7Very low214 Ų214151 Ų15181%0.80881%0.807SS**  trans-114.394.6157.752.4-178.5102.6165.84.2107.3A124 L128A124-R126 PolarHBondContact O-N 2.78Å; R126-L128 PolarHBondContact O-N 3.28Å
127N45.4Very low45.9Very low128 Ų128151.4 Ų151.468%0.68480%0.797SS**  trans-69.9119.8167.6-72.8-54.6000107.9
128L48Very low48.1Very low158 Ų158147.8 Ų147.883%0.82779%0.793SS**  trans-111.198.8156.2-101.882.3000107.8R126 L130R126-L128 PolarHBondContact O-N 3.28Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.15Å
129T49.1Very low50.3Low136 Ų136144.1 Ų144.183%0.83477%0.766SS**  trans-68.894.6160.249.10000108.2
130L40Very low53Low149 Ų149145.3 Ų145.378%0.7876%0.762SS**  trans-137.9112.4161.7-143.277.8000108.5L128L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.15Å
131G41.3Very low55.5Low73 Ų73150.1 Ų150.175%0.75376%0.76SS**THydrogen-bonded Turntrans-58.9143.7-172.500000113.6R133G131-R133 PolarHBondContact O-N 2.97Å
132N50Low57.8Low170 Ų170144.9 Ų144.991%0.90975%0.747SS**THydrogen-bonded Turntrans6339.5159.7-139.314.1000117.6
133R44.7Very low59.5Low190 Ų190140.8 Ų140.872%0.71772%0.724SS**SBendtrans-101.8133.9154.4-63.8-106.7100.6169.48.2106.5G131 E135G131-R133 PolarHBondContact O-N 2.97Å; R133-E135 VanDerWaalsContact C-N 3.32Å; R133-E135 PolarHBondContact O-N 2.82Å
134R52.4Low61.8Low242 Ų242141 Ų14191%0.91371%0.707SS**  trans-52.9102.4171.7-64.6173.2-174.5174.21.6106.8L136R134-L136 PolarHBondContact O-N 2.93Å
135E53.6Low64.2Low167 Ų167143.8 Ų143.878%0.7871%0.705SS**  trans-52.4122.4-175.4-170.7177.6-178.200107.4R133 V137R133-E135 VanDerWaalsContact C-N 3.32Å; R133-E135 PolarHBondContact O-N 2.82Å; E135-V137 WeakPolarHBondContact O-CG2 3.45Å; E135-V137 PolarHBondContact O-N 3.27Å
136L59.7Low66.6Low158 Ų158138.4 Ų138.483%0.82768%0.682SS**  trans-64.793.5171.9-100.176.1000106.6R134 M138R134-L136 PolarHBondContact O-N 2.93Å; L136-M138 PolarHBondContact O-N 2.9Å; L136-M138 VanDerWaalsContact O-N 3.08Å
137V77.3Confident68.9Low74 Ų74132.4 Ų132.445%0.44866%0.664SS.*  trans-67.2112178.6-179.40000107.3E135 Y139E135-V137 WeakPolarHBondContact O-CG2 3.45Å; E135-V137 PolarHBondContact O-N 3.27Å; V137-Y139 HydrophobicContact CB-CD2 4.43Å; V137-Y139 HydrophobicContact CB-CE1 4.37Å; V137-Y139 HydrophobicContact CB-CE2 3.74Å; V137-Y139 HydrophobicContact CG1-CD1 4.15Å; V137-Y139 HydrophobicContact CG1-CD2 4.37Å; V137-Y139 HydrophobicContact CG1-CE1 3.62Å; V137-Y139 HydrophobicContact CG1-CE2 3.87Å; V137-Y139 VanDerWaalsContact CG1-CZ 3.47Å; V137-Y139 WeakPolarHBondContact O-CD2 3.3Å; V137-Y139 WeakPolarHBondContact O-CE2 3.26Å; V137-Y139 PolarHBondContact O-N 3.15Å; V137-Y139 VanDerWaalsContact O-N 3.14Å
138M81.6Confident71.2Confident171 Ų171130.5 Ų130.584%0.84265%0.653SS**  trans-70.4109.2175.1-68.7-58.3-72.800109.1L136L136-M138 PolarHBondContact O-N 2.9Å; L136-M138 VanDerWaalsContact O-N 3.08Å
139Y83.1Confident73.3Confident96 Ų96129.3 Ų129.338%0.37664%0.637SS.*  trans-93.1132.6178.1-67.6-73.4000111.4V137 K141 K143 M147V137-Y139 HydrophobicContact CB-CD2 4.43Å; V137-Y139 HydrophobicContact CB-CE1 4.37Å; V137-Y139 HydrophobicContact CB-CE2 3.74Å; V137-Y139 HydrophobicContact CG1-CD1 4.15Å; V137-Y139 HydrophobicContact CG1-CD2 4.37Å; V137-Y139 HydrophobicContact CG1-CE1 3.62Å; V137-Y139 HydrophobicContact CG1-CE2 3.87Å; V137-Y139 VanDerWaalsContact CG1-CZ 3.47Å; V137-Y139 WeakPolarHBondContact O-CD2 3.3Å; V137-Y139 WeakPolarHBondContact O-CE2 3.26Å; V137-Y139 PolarHBondContact O-N 3.15Å; V137-Y139 VanDerWaalsContact O-N 3.14Å; Y139-K141 PolarHBondContact O-N 3.43Å; Y139-K143 HydrophobicContact CD1-CD 3.78Å; Y139-K143 HydrophobicContact CD1-CG 4.08Å; Y139-K143 HydrophobicContact CE1-CD 4.35Å; Y139-M147 HydrophobicContact CD1-SD 4.36Å; Y139-M147 HydrophobicContact CE1-SD 4.33Å
140P90.8Very high75.3Confident88 Ų88126.4 Ų126.457%0.57162%0.616SS**  trans-53.3140.4165.9-25.534.5000110.8L142 K143 L144P140-L142 PolarHBondContact O-N 3.3Å; P140-K143 WeakPolarHBondContact O-CB 3.5Å; P140-K143 PolarHBondContact O-N 3.16Å; P140-L144 PolarHBondContact O-N 3.14Å; P140-L144 VanDerWaalsContact O-N 3.09Å
141K85.1Confident77.8Confident182 Ų182127.6 Ų127.679%0.79161%0.61SS**Hα-helixtrans-51.1-37.6-174.1-67.8-173.4175.4-179.20113.6Y139 L144 K145Y139-K141 PolarHBondContact O-N 3.43Å; K141-L144 PolarHBondContact O-N 3.35Å; K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.42Å
142L87.8Confident80.1Confident122 Ų122126.2 Ų126.264%0.63959%0.586SS**Hα-helixtrans-65.7-45.4178-179.360.8000112.1P140 L144 K145 I146P140-L142 PolarHBondContact O-N 3.3Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.88Å; L142-K145 PolarHBondContact O-N 3.12Å; L142-I146 HydrophobicContact CD1-CD1 4.09Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.93Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.24Å; L142-I146 PolarHBondContact O-N 2.8Å
143K89.3Confident81.8Confident112 Ų112123.9 Ų123.949%0.48757%0.572SS.*Hα-helixtrans-61.3-42.7178.2-177.7163175.8177.10110.6Y139 P140 I146 M147Y139-K143 HydrophobicContact CD1-CD 3.78Å; Y139-K143 HydrophobicContact CD1-CG 4.08Å; Y139-K143 HydrophobicContact CE1-CD 4.35Å; P140-K143 WeakPolarHBondContact O-CB 3.5Å; P140-K143 PolarHBondContact O-N 3.16Å; K143-I146 PolarHBondContact O-N 3.07Å; K143-M147 HydrophobicContact CG-SD 4.1Å; K143-M147 WeakPolarHBondContact O-CB 2.93Å; K143-M147 VanDerWaalsContact O-CG 3.24Å; K143-M147 WeakPolarHBondContact O-CG 2.86Å; K143-M147 PolarHBondContact O-N 2.96Å
144L90.5Very high83.9Confident78 Ų78124.5 Ų124.541%0.40857%0.574SS.*Hα-helixtrans-64.1-43.8176.2-168.864000112P140 K141 L142 I146 M147 I148P140-L144 PolarHBondContact O-N 3.14Å; P140-L144 VanDerWaalsContact O-N 3.09Å; K141-L144 PolarHBondContact O-N 3.35Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.88Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.34Å; L144-M147 PolarHBondContact O-N 2.89Å; L144-I148 HydrophobicContact CD1-CD1 4.23Å; L144-I148 HydrophobicContact CD2-CD1 4.49Å; L144-I148 HydrophobicContact CG-CD1 3.85Å; L144-I148 HydrophobicContact CG-CG1 4.49Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.32Å
145K90.6Very high85.5Confident134 Ų134116.7 Ų116.758%0.58355%0.551SS**Hα-helixtrans-61-39.3177.5-173173.9-177.6175.90112.4K141 L142 R149K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.42Å; L142-K145 PolarHBondContact O-N 3.12Å; K145-R149 VanDerWaalsContact O-CB 3.31Å; K145-R149 WeakPolarHBondContact O-CB 3.22Å; K145-R149 PolarHBondContact O-N 3.35Å
146I92.8Very high86.9Confident65 Ų65109.8 Ų109.833%0.33352%0.524SS..Hα-helixtrans-66.1-51175.4-68165.5000109.7L142 K143 L144 I148 R149 D150L142-I146 HydrophobicContact CD1-CD1 4.09Å; L142-I146 HydrophobicContact CD1-CG1 4.37Å; L142-I146 HydrophobicContact CG-CD1 3.93Å; L142-I146 VanDerWaalsContact O-CG1 3.29Å; L142-I146 WeakPolarHBondContact O-CG1 3.24Å; L142-I146 PolarHBondContact O-N 2.8Å; K143-I146 PolarHBondContact O-N 3.07Å; L144-I146 VanDerWaalsContact C-N 3.31Å; L144-I146 PolarHBondContact O-N 3.34Å; I146-I148 VanDerWaalsContact C-N 3.32Å; I146-I148 PolarHBondContact O-N 3.21Å; I146-R149 PolarHBondContact O-N 3.34Å; I146-D150 VanDerWaalsContact CG2-OD2 3.32Å; I146-D150 WeakPolarHBondContact CG2-OD2 3.42Å; I146-D150 WeakPolarHBondContact O-CB 3.44Å; I146-D150 PolarHBondContact O-N 3.14Å
147M95Very high88Confident87 Ų87105.1 Ų105.143%0.42950%0.499SS..Hα-helixtrans-57.4-42.7179.7-72.1175.267.100112.9Y139 K143 L144 R151Y139-M147 HydrophobicContact CD1-SD 4.36Å; Y139-M147 HydrophobicContact CE1-SD 4.33Å; K143-M147 HydrophobicContact CG-SD 4.1Å; K143-M147 WeakPolarHBondContact O-CB 2.93Å; K143-M147 VanDerWaalsContact O-CG 3.24Å; K143-M147 WeakPolarHBondContact O-CG 2.86Å; K143-M147 PolarHBondContact O-N 2.96Å; L144-M147 PolarHBondContact O-N 2.89Å; M147-R151 VanDerWaalsContact O-CB 3.3Å; M147-R151 WeakPolarHBondContact O-CB 3.47Å; M147-R151 PolarHBondContact O-N 3.28Å
148I93.1Very high88.3Confident89 Ų89105.6 Ų105.646%0.45650%0.499SS..Hα-helixtrans-68.4-45.6178.6-66168.3000110.5L144 I146 D150 R151 L152L144-I148 HydrophobicContact CD1-CD1 4.23Å; L144-I148 HydrophobicContact CD2-CD1 4.49Å; L144-I148 HydrophobicContact CG-CD1 3.85Å; L144-I148 HydrophobicContact CG-CG1 4.49Å; L144-I148 VanDerWaalsContact O-CG1 3.3Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.32Å; I146-I148 VanDerWaalsContact C-N 3.32Å; I146-I148 PolarHBondContact O-N 3.21Å; I148-D150 PolarHBondContact O-N 3.47Å; I148-R151 PolarHBondContact O-N 2.97Å; I148-L152 HydrophobicContact CG2-CD1 3.78Å; I148-L152 HydrophobicContact CG2-CG 4.26Å; I148-L152 WeakPolarHBondContact O-CB 3.27Å; I148-L152 VanDerWaalsContact O-CG 3.24Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 3.29Å
149R91.8Very high88.3Confident133 Ų133102.8 Ų102.850%0.50249%0.487SS..Hα-helixtrans-57.3-50.6176.5-178.4-159.9-66.3157.4-5.7111.1K145 I146 R151 L152 I153K145-R149 VanDerWaalsContact O-CB 3.31Å; K145-R149 WeakPolarHBondContact O-CB 3.22Å; K145-R149 PolarHBondContact O-N 3.35Å; I146-R149 PolarHBondContact O-N 3.34Å; R149-R151 PolarHBondContact O-N 3.07Å; R149-L152 PolarHBondContact O-N 2.8Å; R149-I153 HydrophobicContact CG-CD1 3.78Å; R149-I153 HydrophobicContact CG-CG1 4.45Å; R149-I153 VanDerWaalsContact O-CG1 3.31Å; R149-I153 WeakPolarHBondContact O-CG1 3.37Å; R149-I153 PolarHBondContact O-N 3.05Å
150D91.8Very high88Confident74 Ų74102.1 Ų102.140%0.39650%0.501SS..Hα-helixtrans-64.2-34.7-176.1-64.3-10.1000111.2I146 I148 R154I146-D150 VanDerWaalsContact CG2-OD2 3.32Å; I146-D150 WeakPolarHBondContact CG2-OD2 3.42Å; I146-D150 WeakPolarHBondContact O-CB 3.44Å; I146-D150 PolarHBondContact O-N 3.14Å; I148-D150 PolarHBondContact O-N 3.47Å; D150-R154 VanDerWaalsContact O-CB 3.29Å; D150-R154 WeakPolarHBondContact O-CB 3.49Å; D150-R154 PolarHBondContact O-N 3.17Å; D150-R154 VanDerWaalsContact O-N 3.09Å
151R91.4Very high86.9Confident174 Ų174107.4 Ų107.466%0.65751%0.51SS*.Hα-helixtrans-70.2-43.9174.3-169.6170.4-177.4-1591.7112.3M147 I148 R149 I153 R154 D155M147-R151 VanDerWaalsContact O-CB 3.3Å; M147-R151 WeakPolarHBondContact O-CB 3.47Å; M147-R151 PolarHBondContact O-N 3.28Å; I148-R151 PolarHBondContact O-N 2.97Å; R149-R151 PolarHBondContact O-N 3.07Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 2.76Å; R151-R154 WeakPolarHBondContact O-CB 3.47Å; R151-R154 PolarHBondContact O-N 3.39Å; R151-D155 WeakPolarHBondContact CG-OD2 3.48Å; R151-D155 IonicContact NE-OD2 3.3Å; R151-D155 WeakPolarHBondContact O-CB 3.34Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 3.31Å
152L89.3Confident86.1Confident45 Ų45103.2 Ų103.224%0.23650%0.502CS..Hα-helixtrans-62.1-40.9176.8-71.3168.2000112.4I148 R149 D155 G156 I157 L159I148-L152 HydrophobicContact CG2-CD1 3.78Å; I148-L152 HydrophobicContact CG2-CG 4.26Å; I148-L152 WeakPolarHBondContact O-CB 3.27Å; I148-L152 VanDerWaalsContact O-CG 3.24Å; I148-L152 WeakPolarHBondContact O-CG 3.44Å; I148-L152 PolarHBondContact O-N 3.29Å; R149-L152 PolarHBondContact O-N 2.8Å; L152-D155 PolarHBondContact O-N 3.47Å; L152-G156 PolarHBondContact O-N 3.2Å; L152-G156 VanDerWaalsContact O-N 3.14Å; L152-I157 HydrophobicContact CD2-CB 3.93Å; L152-I157 HydrophobicContact CD2-CD1 4.43Å; L152-I157 HydrophobicContact CD2-CG2 3.73Å; L152-I157 PolarHBondContact O-N 3.23Å; L152-L159 HydrophobicContact CD1-CD1 3.56Å; L152-L159 HydrophobicContact CD1-CG 4.42Å; L152-L159 HydrophobicContact CD2-CD1 4.14Å; L152-L159 HydrophobicContact CD2-CG 4.38Å
153I86.8Confident85.2Confident121 Ų121102.9 Ų102.962%0.62151%0.507SS*.Hα-helixtrans-63.9-46.3175.9-67.8168.5000110.2R149 R151 D155 G156R149-I153 HydrophobicContact CG-CD1 3.78Å; R149-I153 HydrophobicContact CG-CG1 4.45Å; R149-I153 VanDerWaalsContact O-CG1 3.31Å; R149-I153 WeakPolarHBondContact O-CG1 3.37Å; R149-I153 PolarHBondContact O-N 3.05Å; R151-I153 VanDerWaalsContact C-N 3.34Å; R151-I153 PolarHBondContact O-N 2.76Å; I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 PolarHBondContact O-N 3.37Å; I153-G156 PolarHBondContact O-N 3.03Å
154R88.8Confident84.2Confident203 Ų203104 Ų10477%0.76651%0.509SS*.Hα-helixtrans-60.2-42178.6-174.4-172.6-52.4-151-0.2112.3D150 R151 G156D150-R154 VanDerWaalsContact O-CB 3.29Å; D150-R154 WeakPolarHBondContact O-CB 3.49Å; D150-R154 PolarHBondContact O-N 3.17Å; D150-R154 VanDerWaalsContact O-N 3.09Å; R151-R154 WeakPolarHBondContact O-CB 3.47Å; R151-R154 PolarHBondContact O-N 3.39Å; R154-G156 PolarHBondContact O-N 3.39Å
155D84.8Confident83.2Confident78 Ų78102.8 Ų102.842%0.41751%0.507SS..THydrogen-bonded Turntrans-82.2-2.6-176.9-62.8-15.4000112.2R151 L152 I153 I157R151-D155 WeakPolarHBondContact CG-OD2 3.48Å; R151-D155 IonicContact NE-OD2 3.3Å; R151-D155 WeakPolarHBondContact O-CB 3.34Å; R151-D155 VanDerWaalsContact O-CG 3.23Å; R151-D155 PolarHBondContact O-N 3.31Å; L152-D155 PolarHBondContact O-N 3.47Å; I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 PolarHBondContact O-N 3.37Å; D155-I157 VanDerWaalsContact C-N 3.35Å; D155-I157 HydrophobicContact CB-CD1 3.66Å; D155-I157 HydrophobicContact CB-CG1 3.83Å; D155-I157 PolarHBondContact O-N 2.93Å
156G84.3Confident82.2Confident21 Ų21101.3 Ų101.322%0.21651%0.505CS..THydrogen-bonded Turntrans61.242.8-179.400000112.1L152 I153 R154 N166L152-G156 PolarHBondContact O-N 3.2Å; L152-G156 VanDerWaalsContact O-N 3.14Å; I153-G156 PolarHBondContact O-N 3.03Å; R154-G156 PolarHBondContact O-N 3.39Å; G156-N166 PolarHBondContact O-N 3.42Å; G156-N166 PolarHBondContact O-ND2 2.9Å; G156-N166 PolarHBondContact O-OD1 3.23Å
157I83.3Confident80.5Confident61 Ų61106 Ų10631%0.31352%0.523SS..  trans-106.5110.8-176.8-61.9177.2000108.5L152 D155 L159 Y164L152-I157 HydrophobicContact CD2-CB 3.93Å; L152-I157 HydrophobicContact CD2-CD1 4.43Å; L152-I157 HydrophobicContact CD2-CG2 3.73Å; L152-I157 PolarHBondContact O-N 3.23Å; D155-I157 VanDerWaalsContact C-N 3.35Å; D155-I157 HydrophobicContact CB-CD1 3.66Å; D155-I157 HydrophobicContact CB-CG1 3.83Å; D155-I157 PolarHBondContact O-N 2.93Å; I157-L159 HydrophobicContact CG2-CD2 4.12Å; I157-L159 HydrophobicContact CG2-CG 4.47Å; I157-Y164 CarbonylContact C-O 3.46Å; I157-Y164 WeakPolarHBondContact CA-O 3.44Å; I157-Y164 WeakPolarHBondContact CG2-O 3.49Å
158N81.9Confident78.7Confident84 Ų84111.4 Ų111.445%0.44955%0.548SS..  trans-97.1105176.5-170.5-14.1000111.1A160 Y164N158-A160 PolarHBondContact O-N 3.39Å; N158-A160 WeakPolarHBondContact OD1-CB 3.45Å; N158-A160 PolarHBondContact OD1-N 3.34Å; N158-Y164 PolarHBondContact N-O 3.39Å; N158-Y164 VanDerWaalsContact N-O 3.11Å; N158-Y164 CarbonylContact O-C 2.73Å; N158-Y164 VanDerWaalsContact O-CA 3.26Å; N158-Y164 WeakPolarHBondContact O-CA 2.76Å
159L81.6Confident76.6Confident111 Ų111112.3 Ų112.358%0.58156%0.558SS**THydrogen-bonded Turntrans-76.3-5.9179-63.4174.9000114.2L152 I157L152-L159 HydrophobicContact CD1-CD1 3.56Å; L152-L159 HydrophobicContact CD1-CG 4.42Å; L152-L159 HydrophobicContact CD2-CD1 4.14Å; L152-L159 HydrophobicContact CD2-CG 4.38Å; I157-L159 HydrophobicContact CG2-CD2 4.12Å; I157-L159 HydrophobicContact CG2-CG 4.47Å
160A77Confident74.3Confident82 Ų82110.3 Ų110.368%0.67856%0.564SS**THydrogen-bonded Turntrans-75.7-27.5-175.100000113.2N158N158-A160 PolarHBondContact O-N 3.39Å; N158-A160 WeakPolarHBondContact OD1-CB 3.45Å; N158-A160 PolarHBondContact OD1-N 3.34Å
161R67.4Low72.2Confident199 Ų199112 Ų11275%0.75159%0.588SS**SBendtrans-150.2142.5-179.5-64.8-175-178.9167-0.2111.2P163 Y164R161-P163 CarbonylContact O-C 3.58Å; R161-Y164 WeakPolarHBondContact O-CD1 3.36Å
162P70Confident70.2Confident95 Ų95109 Ų10962%0.61759%0.589SS**SBendtrans-66.4149.4164.829.6-33.3000110.1Y164P162-Y164 HydrophobicContact CB-CE1 4.47Å; P162-Y164 HydrophobicContact CB-CE2 4.19Å
163P68.6Low68.3Low115 Ų115112.5 Ų112.575%0.74761%0.613SS**SBendcis-68.9130.6-10.528.8-32000110.2R161 S165R161-P163 CarbonylContact O-C 3.58Å; P163-S165 PolarHBondContact O-N 3.41Å
164Y67.3Low66.7Low134 Ų134113.1 Ų113.153%0.52562%0.622SS.*  trans-68.916.5-170-57.2-69.5000114.6I157 N158 R161 P162I157-Y164 CarbonylContact C-O 3.46Å; I157-Y164 WeakPolarHBondContact CA-O 3.44Å; I157-Y164 WeakPolarHBondContact CG2-O 3.49Å; N158-Y164 PolarHBondContact N-O 3.39Å; N158-Y164 VanDerWaalsContact N-O 3.11Å; N158-Y164 CarbonylContact O-C 2.73Å; N158-Y164 VanDerWaalsContact O-CA 3.26Å; N158-Y164 WeakPolarHBondContact O-CA 2.76Å; R161-Y164 WeakPolarHBondContact O-CD1 3.36Å; P162-Y164 HydrophobicContact CB-CE1 4.47Å; P162-Y164 HydrophobicContact CB-CE2 4.19Å
165S70.8Confident64.7Low54 Ų54110.1 Ų110.138%0.37862%0.621SS.*SBendtrans-140.1127.5-179.8-176.60000109.9P163 K167P163-S165 PolarHBondContact O-N 3.41Å; S165-K167 PolarHBondContact O-N 3.18Å
166N67.9Low63Low102 Ų102109.4 Ų109.455%0.54562%0.622SS.*  trans-87.989.8172.725.9-60.5000109G156G156-N166 PolarHBondContact O-N 3.42Å; G156-N166 PolarHBondContact O-ND2 2.9Å; G156-N166 PolarHBondContact O-OD1 3.23Å
167K58.6Low61.4Low163 Ų163117.1 Ų117.171%0.70965%0.65SS**  trans-128.978.7158-67.6-170-178.9-171.20109.2S165 T169S165-K167 PolarHBondContact O-N 3.18Å; K167-T169 PolarHBondContact O-N 2.82Å
168E57.1Low59.7Low202 Ų202116.3 Ų116.394%0.94466%0.657SS**  trans-6785.5149.3-68.3-83.8161.400106
169T49.3Very low58.3Low108 Ų108116.6 Ų116.666%0.66366%0.661SS**  trans-131.596.6170.8-40.20000107.2K167K167-T169 PolarHBondContact O-N 2.82Å
170S42.2Very low56.7Low90 Ų90118.1 Ų118.163%0.62966%0.663SS**  trans50.989.7167.458.60000116.1T172S170-T172 PolarHBondContact O-N 3.32Å
171A47.6Very low55.5Low111 Ų111121 Ų12192%0.91766%0.661SS**SBendtrans-59.275.7149.900000110.5
172T50.2Low55.1Low110 Ų110115.5 Ų115.568%0.67565%0.649SS**  trans-157.9126.3160.543.40000105.8S170S170-T172 PolarHBondContact O-N 3.32Å
173T50Low54.3Low118 Ų118117 Ų11772%0.72465%0.648SS**SBendtrans100.453.4-174-35.10000114.9
174V51.3Low53.8Low134 Ų134118.5 Ų118.581%0.81264%0.64SS**SBendtrans-123-1.5148.5-67.70000113.6
175D47Very low53.3Low141 Ų141114.4 Ų114.475%0.75463%0.63SS**SBendtrans-87.2-12.5174.7-93.5-8.9000114.5F177 G178D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 2.93Å; D175-G178 PolarHBondContact O-N 3.4Å
176S49.6Very low52.5Low62 Ų62116.2 Ų116.243%0.43464%0.636SS.*Hα-helixtrans-71.1-26.3180-70.30000113.5F180S176-F180 WeakPolarHBondContact O-CD2 3.32Å
177F49.9Very low52Low183 Ų183116.8 Ų116.880%0.80364%0.638SS**Hα-helixtrans-75.6-28.7178.7-92.6-88.1000113.3D175 F181D175-F177 VanDerWaalsContact C-N 3.34Å; D175-F177 PolarHBondContact O-N 2.93Å; F177-F181 PolarHBondContact O-N 3.1Å
178G47.4Very low51.9Low44 Ų44112.7 Ų112.745%0.45462%0.623SS.*Hα-helixtrans-70.8-37.2178.600000112.8D175 V182D175-G178 PolarHBondContact O-N 3.4Å; G178-V182 WeakPolarHBondContact O-CG2 3.31Å; G178-V182 PolarHBondContact O-N 3.4Å
179V53.1Low51.5Low90 Ų90112.1 Ų112.155%0.54561%0.614SS.*Hα-helixtrans-73.9-38.6-178.3-174.90000111.6F181 V182 E183V179-F181 PolarHBondContact O-N 3.16Å; V179-V182 PolarHBondContact O-N 2.83Å; V179-E183 PolarHBondContact O-N 3.46Å
180F48.7Very low51.7Low143 Ų143110.8 Ų110.863%0.62761%0.609SS**Hα-helixtrans-67.2-34.5175.6-76.7-63.7000113.3S176 Y184S176-F180 WeakPolarHBondContact O-CD2 3.32Å; F180-Y184 VanDerWaalsContact O-CB 3.3Å; F180-Y184 WeakPolarHBondContact O-CB 3.2Å; F180-Y184 PolarHBondContact O-N 3.19Å
181F51.7Low52.1Low143 Ų143112.8 Ų112.863%0.62761%0.613SS**Hα-helixtrans-69.5-39.7178.3-169.3-98.4000111.6F177 V179 Y184 C185F177-F181 PolarHBondContact O-N 3.1Å; V179-F181 PolarHBondContact O-N 3.16Å; F181-Y184 PolarHBondContact O-N 2.89Å; F181-C185 WeakPolarHBondContact O-CB 3.49Å; F181-C185 PolarHBondContact O-N 3.06Å; F181-C185 PolarHBondContact O-SG 3.38Å
182V58.2Low52.5Low84 Ų84114.1 Ų114.151%0.50960%0.604SS.*Hα-helixtrans-69.7-38.5176.5174.80000111.4G178 V179 N186G178-V182 WeakPolarHBondContact O-CG2 3.31Å; G178-V182 PolarHBondContact O-N 3.4Å; V179-V182 PolarHBondContact O-N 2.83Å; V182-N186 VanDerWaalsContact O-CB 3.28Å; V182-N186 WeakPolarHBondContact O-CB 3.47Å; V182-N186 PolarHBondContact O-N 3.37Å; V182-N186 PolarHBondContact O-ND2 3.43Å; V182-N186 VanDerWaalsContact O-ND2 3.16Å
183E54.8Low52.8Low125 Ų125114.9 Ų114.958%0.58461%0.608SS**Hα-helixtrans-67.1-39.5172.9-80.4-164.6153.400112.9V179 N186 L187V179-E183 PolarHBondContact O-N 3.46Å; E183-N186 PolarHBondContact O-N 3.03Å; E183-L187 WeakPolarHBondContact O-CB 3.47Å; E183-L187 PolarHBondContact O-N 2.95Å
184Y57Low52.6Low147 Ų147114.8 Ų114.858%0.57661%0.611SS**Hα-helixtrans-64.7-43.4175.9-175.7-100.4000112.1F180 F181 L187 I188F180-Y184 VanDerWaalsContact O-CB 3.3Å; F180-Y184 WeakPolarHBondContact O-CB 3.2Å; F180-Y184 PolarHBondContact O-N 3.19Å; F181-Y184 PolarHBondContact O-N 2.89Å; Y184-L187 PolarHBondContact O-N 3.21Å; Y184-I188 HydrophobicContact CD1-CD1 3.99Å; Y184-I188 HydrophobicContact CE1-CD1 3.43Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.43Å; Y184-I188 HydrophobicContact CE2-CD1 4.46Å; Y184-I188 WeakPolarHBondContact O-CG1 3.34Å; Y184-I188 PolarHBondContact O-N 3.5Å; Y184-I188 VanDerWaalsContact O-N 3.13Å
185C56.8Low52.4Low48 Ų48114.5 Ų114.532%0.32460%0.601SS.*Hα-helixtrans-67.6-37.1175.2-73.40000112.3F181 I188 Y189F181-C185 WeakPolarHBondContact O-CB 3.49Å; F181-C185 PolarHBondContact O-N 3.06Å; F181-C185 PolarHBondContact O-SG 3.38Å; C185-I188 PolarHBondContact O-N 3Å; C185-Y189 PolarHBondContact O-N 2.88Å
186N55Low52.7Low93 Ų93113.3 Ų113.350%0.49760%0.6SS.*Hα-helixtrans-69.3-32.4174.3-82.4-37.4000112.7V182 E183 Y189 S190V182-N186 VanDerWaalsContact O-CB 3.28Å; V182-N186 WeakPolarHBondContact O-CB 3.47Å; V182-N186 PolarHBondContact O-N 3.37Å; V182-N186 PolarHBondContact O-ND2 3.43Å; V182-N186 VanDerWaalsContact O-ND2 3.16Å; E183-N186 PolarHBondContact O-N 3.03Å; N186-Y189 PolarHBondContact O-N 3.43Å; N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.38Å; N186-S190 PolarHBondContact O-N 3.35Å; N186-S190 PolarHBondContact O-OG 3.02Å
187L56.1Low52.8Low113 Ų113114.1 Ų114.159%0.59260%0.603SS**Hα-helixtrans-64.8-42.2173.9-169.769000111E183 Y184E183-L187 WeakPolarHBondContact O-CB 3.47Å; E183-L187 PolarHBondContact O-N 2.95Å; Y184-L187 PolarHBondContact O-N 3.21Å
188I56.2Low53Low78 Ų78112 Ų11240%0.460%0.599SS.*Hα-helixtrans-69.9-35177-66.5179.4000112Y184 C185 L192Y184-I188 HydrophobicContact CD1-CD1 3.99Å; Y184-I188 HydrophobicContact CE1-CD1 3.43Å; Y184-I188 VanDerWaalsContact CE1-CD1 3.43Å; Y184-I188 HydrophobicContact CE2-CD1 4.46Å; Y184-I188 WeakPolarHBondContact O-CG1 3.34Å; Y184-I188 PolarHBondContact O-N 3.5Å; Y184-I188 VanDerWaalsContact O-N 3.13Å; C185-I188 PolarHBondContact O-N 3Å; I188-L192 HydrophobicContact CG2-CD1 4.45Å; I188-L192 WeakPolarHBondContact O-CD1 3.5Å
189Y50Low53.3Low189 Ų189118.2 Ų118.274%0.74161%0.614SS**Hα-helixtrans-81.8-24.8-179.9-95.8-89.3000114.5C185 N186C185-Y189 PolarHBondContact O-N 2.88Å; N186-Y189 PolarHBondContact O-N 3.43Å
190S53.7Low53.1Low81 Ų81117.2 Ų117.257%0.56661%0.611SS**Hα-helixtrans-83.5-18.7-179.5-540000113.5N186N186-S190 VanDerWaalsContact O-CB 3.27Å; N186-S190 WeakPolarHBondContact O-CB 3.38Å; N186-S190 PolarHBondContact O-N 3.35Å; N186-S190 PolarHBondContact O-OG 3.02Å
191D49.9Very low53.1Low131 Ų131114.1 Ų114.170%0.70161%0.606SS**SBendtrans-94.3-4.6178.5-92.6-24.6000114.4T193D191-T193 VanDerWaalsContact C-N 3.32Å; D191-T193 PolarHBondContact O-N 3.48Å
192L55.3Low53.2Low140 Ų140113.5 Ų113.573%0.73361%0.609SS**THydrogen-bonded Turntrans-90.318.9179.6-102.8129000115.1I188I188-L192 HydrophobicContact CG2-CD1 4.45Å; I188-L192 WeakPolarHBondContact O-CD1 3.5Å
193T56.6Low52.8Low125 Ų125112.7 Ų112.777%0.76761%0.606SS**THydrogen-bonded Turntrans-96.69.8169.942.10000115.2D191D191-T193 VanDerWaalsContact C-N 3.32Å; D191-T193 PolarHBondContact O-N 3.48Å
194C46.6Very low52.5Low116 Ų116112.1 Ų112.178%0.78461%0.605SS**SBendtrans-138.986.4174.5-97.90000113.4
195H47.6Very low52.2Low128 Ų128112.1 Ų112.159%0.59361%0.61SS**  157.9123.8106.1-153-84.6000110.7V197H195-V197 HydrophobicContact CB-CG2 4.03Å; H195-V197 VanDerWaalsContact ND1-CG1 3.31Å; H195-V197 WeakPolarHBondContact ND1-CG1 3.48Å; H195-V197 WeakPolarHBondContact ND1-CG2 3.43Å; H195-V197 PolarHBondContact O-N 3.08Å
196P53.4Low52.1Low116 Ų116117 Ų11775%0.75363%0.632SS**THydrogen-bonded Turntrans-68.415.5-176.828.2-35.7000115.9
197V50.5Low51.8Low80 Ų80118.7 Ų118.749%0.48564%0.637SS.*Hα-helixtrans-93.7-30.4-176.9-74.80000114.2H195 F199 S200 C201H195-V197 HydrophobicContact CB-CG2 4.03Å; H195-V197 VanDerWaalsContact ND1-CG1 3.31Å; H195-V197 WeakPolarHBondContact ND1-CG1 3.48Å; H195-V197 WeakPolarHBondContact ND1-CG2 3.43Å; H195-V197 PolarHBondContact O-N 3.08Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.15Å; V197-S200 PolarHBondContact O-N 2.86Å; V197-C201 WeakPolarHBondContact O-CB 3.38Å; V197-C201 PolarHBondContact O-N 3.45Å
198L53.7Low51.5Low138 Ų138121.1 Ų121.172%0.72365%0.647SS**Hα-helixtrans-72.2-30.9-178.7-73.2173.5000112.4C201 L202L198-C201 PolarHBondContact O-N 3.17Å; L198-L202 PolarHBondContact O-N 3.47Å; L198-L202 VanDerWaalsContact O-N 3.13Å
199F53.8Low51.4Low174 Ų174126.7 Ų126.776%0.76367%0.672SS**Hα-helixtrans-69.6-40.2174-164.7-95.7000111.7V197 C201 L202 C203V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 3.15Å; F199-C201 VanDerWaalsContact C-N 3.31Å; F199-C201 PolarHBondContact O-N 3.11Å; F199-L202 PolarHBondContact O-N 3Å; F199-C203 WeakPolarHBondContact O-CB 3.48Å; F199-C203 PolarHBondContact O-N 2.99Å; F199-C203 VanDerWaalsContact O-N 3.08Å
200S50Low51.3Low70 Ų70126.1 Ų126.149%0.4968%0.676SS.*Hα-helixtrans-66.8-33.8175.6-162.30000112.2V197 C203 M204V197-S200 PolarHBondContact O-N 2.86Å; S200-C203 PolarHBondContact O-N 2.79Å; S200-M204 WeakPolarHBondContact O-CG 3.4Å; S200-M204 PolarHBondContact O-N 2.99Å
201C47.7Very low50.7Low78 Ų78126.5 Ų126.553%0.52768%0.684SS.*Hα-helixtrans-69.2-41178.4-151.10000111.8V197 L198 F199 C203 Q205V197-C201 WeakPolarHBondContact O-CB 3.38Å; V197-C201 PolarHBondContact O-N 3.45Å; L198-C201 PolarHBondContact O-N 3.17Å; F199-C201 VanDerWaalsContact C-N 3.31Å; F199-C201 PolarHBondContact O-N 3.11Å; C201-C203 VanDerWaalsContact C-N 3.32Å; C201-C203 PolarHBondContact O-N 3.16Å; C201-Q205 PolarHBondContact O-N 3.3Å
202L54.5Low50.3Low130 Ų130127.6 Ų127.668%0.68169%0.69SS**Hα-helixtrans-68.3-32.2174.4-130.186.4000112.4L198 F199L198-L202 PolarHBondContact O-N 3.47Å; L198-L202 VanDerWaalsContact O-N 3.13Å; F199-L202 PolarHBondContact O-N 3Å
203C49.5Very low49.7Very low67 Ų67129.4 Ų129.445%0.45369%0.694SS.*Hα-helixtrans-71.7-42.2178.4-158.80000111.8F199 S200 C201 Q205 L206F199-C203 WeakPolarHBondContact O-CB 3.48Å; F199-C203 PolarHBondContact O-N 2.99Å; F199-C203 VanDerWaalsContact O-N 3.08Å; S200-C203 PolarHBondContact O-N 2.79Å; C201-C203 VanDerWaalsContact C-N 3.32Å; C201-C203 PolarHBondContact O-N 3.16Å; C203-Q205 VanDerWaalsContact C-N 3.29Å; C203-Q205 PolarHBondContact O-N 2.93Å; C203-L206 PolarHBondContact O-N 3.22Å
204M48.9Very low48.8Very low113 Ų113129.5 Ų129.556%0.55770%0.695SS**Hα-helixtrans-65.6-30.3176.8-73.1-10680.500112.9S200 L206 E207S200-M204 WeakPolarHBondContact O-CG 3.4Å; S200-M204 PolarHBondContact O-N 2.99Å; M204-L206 PolarHBondContact O-N 3.48Å; M204-E207 PolarHBondContact O-N 2.73Å
205Q50.5Low48.5Very low147 Ų147133.2 Ų133.269%0.68770%0.698SS**THydrogen-bonded Turntrans-67.5-22.4178.6-154.181.5-10.400112.7C201 C203C201-Q205 PolarHBondContact O-N 3.3Å; C203-Q205 VanDerWaalsContact C-N 3.29Å; C203-Q205 PolarHBondContact O-N 2.93Å
206L54Low48Very low149 Ų149133.1 Ų133.178%0.7871%0.707SS**THydrogen-bonded Turntrans-88.7-8.6178.3-78.7163.7000113.7C203 M204C203-L206 PolarHBondContact O-N 3.22Å; M204-L206 PolarHBondContact O-N 3.48Å
207E50Low47Very low129 Ų129134.8 Ų134.860%0.60371%0.709SS**THydrogen-bonded Turntrans-97.9-9.4-177.2-106.8165.1157.300114.3M204 E209M204-E207 PolarHBondContact O-N 2.73Å; E207-E209 VanDerWaalsContact C-N 3.26Å; E207-E209 PolarHBondContact O-N 3.13Å
208M50Low46.5Very low165 Ų165135.9 Ų135.981%0.81372%0.72SS**THydrogen-bonded Turntrans-80.16.9-177.9-72.2-174.268.600115.1
209E53.2Low45.5Very low195 Ų195136.3 Ų136.391%0.91172%0.723SS**THydrogen-bonded Turntrans-92.56.5174.2-153.1179.395.900113.3E207E207-E209 VanDerWaalsContact C-N 3.26Å; E207-E209 PolarHBondContact O-N 3.13Å
210Q48.2Very low44.8Very low177 Ų177135.6 Ų135.683%0.82773%0.726SS**SBendtrans-127.2123.8172.9-101.1-17873.200112.7
211A39.7Very low43.9Very low89 Ų89137.9 Ų137.974%0.73674%0.743SS**  trans76.171.2159.900000116.8Q213A211-Q213 PolarHBondContact O-N 2.76Å
212D42.8Very low43.4Very low153 Ų153139.3 Ų139.382%0.81875%0.753SS**  trans-43.881.9139.4178.828.6000111.9
213Q43.4Very low42.5Very low178 Ų178141.1 Ų141.183%0.83276%0.759SS**  trans-156.755165.6-146.876.566.900112A211A211-Q213 PolarHBondContact O-N 2.76Å
214T36.2Very low42Very low128 Ų128143.7 Ų143.779%0.78577%0.772SS**  trans-100.9118.6165.457.50000110.4
215K41.6Very low41.8Very low193 Ų193143.2 Ų143.284%0.83978%0.777SS**  trans-163.4146.8137.8-113.6168.6-173.2175.90111.4
216T35.9Very low41.1Very low127 Ų127144.4 Ų144.478%0.77978%0.783SS**  trans80.3122.7-17776.30000111.7
217D32.3Very low40.4Very low151 Ų151140.9 Ų140.981%0.80777%0.77SS**  cis-150.5140.518.5-104-32.2000110.5
218S39.7Very low39.7Very low102 Ų102144.7 Ų144.771%0.71378%0.781SS**  trans-71.6127152.844.70000109.6
219D33.5Very low39.1Very low147 Ų147141.9 Ų141.979%0.78678%0.784SS**  -176.1155.7126.3-129.6-42.4000113.9
220L39Very low38.3Very low159 Ų159140.6 Ų140.683%0.83278%0.782SS**  trans80.296.2162.3-63.1140.6000118.1
221S30.3Very low38.6Very low119 Ų119137.5 Ų137.583%0.83278%0.778SS**  -173.3118.3109.2-166.50000112.9
222S38Very low38.6Very low107 Ų107137.4 Ų137.475%0.74878%0.776SS**  trans-141.1137.2150.3-89.50000103.1
223Q36.8Very low38.7Very low169 Ų169138.8 Ų138.879%0.7978%0.778SS**  cis178.9153.840.3-138.4173.1-2700110.8
224V39Very low38.9Very low121 Ų121136.9 Ų136.973%0.73378%0.778SS**  trans75.5132150.1-164.40000121.7
225P44.4Very low39.5Very low103 Ų103134.9 Ų134.967%0.66977%0.774SS**  trans-107.4160.9164.238.9-28.6000115.4
226E36.1Very low39.6Very low172 Ų172133.4 Ų133.480%0.80478%0.775SS**  trans62.1141.7155.6-80-179130.300119.3
227S38.2Very low40Very low74 Ų74131.5 Ų131.552%0.51777%0.772SS.*  cis179.2163.12.142.50000110
228Y35.5Very low40.3Very low210 Ų210137.5 Ų137.582%0.82480%0.795SS**  trans77.2116.5162.1-47.5-71000121.5
229A36.6Very low40.3Very low106 Ų106139.3 Ų139.388%0.87680%0.799SS**  156.7127.5114.600000113.3
230L37.5Very low40.7Very low167 Ų167138.8 Ų138.887%0.87480%0.8SS**  trans-77-174.8169.7-71.3169.7000111.5
231P53.7Low40.8Very low113 Ų113137.7 Ų137.773%0.73480%0.798SS**  cis-136.7-170.1-29.427.6-4000114.1
232A40.7Very low41.4Very low86 Ų86138.8 Ų138.871%0.71180%0.796SS**  trans81.8106.9151.800000117.8
233E44.1Very low41.6Very low183 Ų183140.8 Ų140.886%0.85580%0.799SS**  85.9107.187.6-169-174.817200111.9
234V47.9Very low42Very low138 Ų138138.9 Ų138.984%0.83680%0.8SS**  trans-156.2114.8134.7-179.80000108.2
235A48.6Very low42.2Very low85 Ų85140.2 Ų140.270%0.70281%0.805SS**  trans-80.2144.515500000109.6
236L44.2Very low42Very low163 Ų163143.1 Ų143.185%0.85382%0.815SS**  trans176.7108.6145.8-94.5170.1000106.2
237A43.2Very low42.5Very low87 Ų87140.7 Ų140.772%0.71982%0.816SS**  72.8102.190.400000113.4
238E39.8Very low42.9Very low276 Ų276146.7 Ų146.7100%1.2984%0.843SS**  -1570110.1-114.4-172.4129.300109.9

Retrieved 238 of 238 residues in 363.6 ms (Link to these results)

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