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Spartin

Lipophagy receptor that plays an important role in lipid droplet (LD) turnover in motor neurons. Localizes to LDs and interacts with components of the autophagy machinery, such as MAP1LC3A/C proteins to deliver LDs to autophagosomes for degradation via lipophagy. Lipid transfer protein required for lipid droplet degradation, including by lipophagy. Can bind and transfer all lipid species found in lipid droplets, from phospholipids to triglycerides and sterol esters but the direction of lipid transfer by spartin and its cargos are unknown. May be implicated in endosomal trafficking, or microtubule dynamics, or both. Participates in cytokinesis.

AlphaFold DB (Q8N0X7), UniProt , Accession A0A024RDV9, Species HUMAN (Homo sapiens, Human), Gene SPG20, Length 666 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
1M46.9Very low54.2Low231 Ų231140.3 Ų140.3100%1.13876%0.756SS**  0112.40-68.4175.517700105.6
2E36.8Very low57.3Low184 Ų184134.5 Ų134.586%0.8672%0.72SS**  trans-64148.6-176.8-6694.6121.400112.2
3Q35.5Very low60Low190 Ų190124.4 Ų124.489%0.88867%0.666SS**  trans-110.3116.6162.4-72.3-179-31.200107.2
4E39Very low62.3Low183 Ų183125.1 Ų125.186%0.85566%0.66SS**  trans-70.6140.9171-77.8-173.493.300110.9Q6E4-Q6 PolarHBondContact O-N 3.35Å
5P37.8Very low64.4Low115 Ų115120.6 Ų120.675%0.74764%0.636SS**  trans-76.3110.5175.930.5-32.7000110.8N7P5-N7 VanDerWaalsContact C-N 3.29Å; P5-N7 PolarHBondContact O-N 3.36Å
6Q38.1Very low66.3Low205 Ų205113.1 Ų113.196%0.95860%0.596SS**  trans-66.384.4169.4-70.9-175.1-13.400110.8E4E4-Q6 PolarHBondContact O-N 3.35Å
7N49.6Very low68Low160 Ų160111.4 Ų111.486%0.85658%0.58SS**  trans-114.375.5-178.2-166.88.4000111P5P5-N7 VanDerWaalsContact C-N 3.29Å; P5-N7 PolarHBondContact O-N 3.36Å
8G63.5Low69.5Low65 Ų65109.3 Ų109.367%0.6757%0.567SS**  trans-150138.8179.700000111.9
9E74.7Confident70.9Confident81 Ų81103.5 Ų103.538%0.37954%0.537SS..  trans-69.7132.9177.4-174.7-178.4119.400111A11 I13 R17E9-A11 PolarHBondContact O-N 3.37Å; E9-I13 HydrophobicContact CG-CB 4.19Å; E9-I13 HydrophobicContact CG-CG2 4.15Å; E9-I13 WeakPolarHBondContact OE1-CG2 3.49Å; E9-R17 VanDerWaalsContact CD-NH2 3.26Å; E9-R17 IonicContact OE1-CZ 2.74Å; E9-R17 IonicContact OE1-NH1 3.61Å; E9-R17 PolarHBondContact OE1-NH1 3.49Å; E9-R17 IonicContact OE1-NH2 2.67Å; E9-R17 PolarHBondContact OE1-NH2 3.24Å; E9-R17 IonicContact OE2-CZ 2.67Å; E9-R17 IonicContact OE2-NH1 3.54Å; E9-R17 PolarHBondContact OE2-NH1 3.45Å; E9-R17 IonicContact OE2-NH2 2.65Å; E9-R17 PolarHBondContact OE2-NH2 2.88Å
10P85.3Confident72.2Confident58 Ų58101.9 Ų101.938%0.37752%0.524SS..  trans-47.4133.9176.3-31.534.5000113.7E12 I13 K14 W71P10-E12 PolarHBondContact O-N 2.9Å; P10-E12 VanDerWaalsContact O-N 3.11Å; P10-I13 HydrophobicContact CB-CD1 4Å; P10-I13 HydrophobicContact CB-CG1 4.14Å; P10-I13 HydrophobicContact CG-CD1 3.87Å; P10-I13 PolarHBondContact O-N 2.91Å; P10-I13 VanDerWaalsContact O-N 3.1Å; P10-K14 PolarHBondContact O-N 3Å; P10-K14 VanDerWaalsContact O-N 3.14Å; P10-W71 HydrophobicContact CB-CZ2 4.43Å
11A88.9Confident73.3Confident71 Ų71102.2 Ų102.259%0.58752%0.522SS*.Hα-helixtrans-57.1-32.3-175.100000112.8E9 K14 I15E9-A11 PolarHBondContact O-N 3.37Å; A11-K14 WeakPolarHBondContact O-CB 3.39Å; A11-K14 PolarHBondContact O-N 3.14Å; A11-I15 VanDerWaalsContact O-CG1 3.26Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.28Å
12E91.7Very high75.7Confident71 Ų7196.1 Ų96.133%0.33249%0.489SS..Hα-helixtrans-69.2-44.6178-66.1-179.3125.300112.9P10 K14 I15 I16 I59 H66 W71P10-E12 PolarHBondContact O-N 2.9Å; P10-E12 VanDerWaalsContact O-N 3.11Å; E12-K14 VanDerWaalsContact C-N 3.26Å; E12-K14 PolarHBondContact O-N 3.1Å; E12-I15 CarbonylContact O-C 3.6Å; E12-I15 WeakPolarHBondContact O-CB 3.31Å; E12-I15 PolarHBondContact O-N 2.71Å; E12-I15 VanDerWaalsContact O-N 3.09Å; E12-I16 WeakPolarHBondContact O-CG1 3.17Å; E12-I16 PolarHBondContact O-N 3.19Å; E12-I59 HydrophobicContact CB-CG2 3.73Å; E12-I59 HydrophobicContact CG-CG2 4.09Å; E12-H66 IonicContact OE2-CE1 3.59Å; E12-H66 PolarHBondContact OE2-CE1 3.22Å; E12-H66 IonicContact OE2-NE2 3.63Å; E12-W71 HydrophobicContact CB-CH2 3.7Å; E12-W71 HydrophobicContact CB-CZ2 4.27Å; E12-W71 WeakPolarHBondContact OE2-CH2 3.37Å
13I92.4Very high78.5Confident3 Ų387.3 Ų87.32%0.01545%0.448CS..Hα-helixtrans-60.4-41173.6-59.5173.3000109.7E9 P10 I15 I16 R17 W71 A74E9-I13 HydrophobicContact CG-CB 4.19Å; E9-I13 HydrophobicContact CG-CG2 4.15Å; E9-I13 WeakPolarHBondContact OE1-CG2 3.49Å; P10-I13 HydrophobicContact CB-CD1 4Å; P10-I13 HydrophobicContact CB-CG1 4.14Å; P10-I13 HydrophobicContact CG-CD1 3.87Å; P10-I13 PolarHBondContact O-N 2.91Å; P10-I13 VanDerWaalsContact O-N 3.1Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 2.8Å; I13-I16 PolarHBondContact O-N 3.26Å; I13-R17 WeakPolarHBondContact O-CB 3.46Å; I13-R17 PolarHBondContact O-N 3.33Å; I13-W71 HydrophobicContact CD1-CD2 3.75Å; I13-W71 HydrophobicContact CD1-CE3 4.33Å; I13-W71 HydrophobicContact CD1-CG 3.85Å; I13-W71 HydrophobicContact CD1-CZ2 4.46Å; I13-W71 HydrophobicContact CG1-CD2 3.8Å; I13-W71 HydrophobicContact CG1-CE3 3.9Å; I13-W71 HydrophobicContact CG1-CG 4.4Å; I13-W71 HydrophobicContact CG1-CH2 4.2Å; I13-W71 HydrophobicContact CG1-CZ2 4.1Å; I13-W71 HydrophobicContact CG1-CZ3 4.09Å; I13-A74 HydrophobicContact CG1-CB 4.16Å; I13-A74 HydrophobicContact CG2-CB 4.28Å
14K92.2Very high81.4Confident134 Ų13480.5 Ų80.558%0.58342%0.415SS*.Hα-helixtrans-62.1-39.9174.5-169.8176.2-177.6176.50112P10 A11 E12 E18P10-K14 PolarHBondContact O-N 3Å; P10-K14 VanDerWaalsContact O-N 3.14Å; A11-K14 WeakPolarHBondContact O-CB 3.39Å; A11-K14 PolarHBondContact O-N 3.14Å; E12-K14 VanDerWaalsContact C-N 3.26Å; E12-K14 PolarHBondContact O-N 3.1Å; K14-E18 WeakPolarHBondContact O-CB 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 3.04Å
15I94Very high84.1Confident58 Ų5876.4 Ų76.430%0.29740%0.399SS..Hα-helixtrans-66-44.9174.2-71.4162.7000111.3A11 E12 I13 E18 A19 I59A11-I15 VanDerWaalsContact O-CG1 3.26Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.28Å; E12-I15 CarbonylContact O-C 3.6Å; E12-I15 WeakPolarHBondContact O-CB 3.31Å; E12-I15 PolarHBondContact O-N 2.71Å; E12-I15 VanDerWaalsContact O-N 3.09Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 2.8Å; I15-E18 PolarHBondContact O-N 2.87Å; I15-A19 VanDerWaalsContact O-CB 3.29Å; I15-A19 WeakPolarHBondContact O-CB 3.43Å; I15-A19 PolarHBondContact O-N 3.17Å; I15-I59 HydrophobicContact CG2-CD1 3.73Å; I15-I59 HydrophobicContact CG2-CG1 3.93Å
16I95.2Very high86.8Confident0 Ų072.6 Ų72.60%037%0.37CS..Hα-helixtrans-60.1-46.4176.5-69.1166.1000110.3E12 I13 A19 Y20 I59 W71 A74 M77 Q78 M81E12-I16 WeakPolarHBondContact O-CG1 3.17Å; E12-I16 PolarHBondContact O-N 3.19Å; I13-I16 PolarHBondContact O-N 3.26Å; I16-A19 PolarHBondContact O-N 2.57Å; I16-Y20 WeakPolarHBondContact O-CB 3.5Å; I16-Y20 PolarHBondContact O-N 3.07Å; I16-I59 HydrophobicContact CD1-CB 3.93Å; I16-I59 HydrophobicContact CD1-CG2 3.83Å; I16-I59 HydrophobicContact CG1-CB 3.73Å; I16-I59 HydrophobicContact CG1-CG1 3.91Å; I16-I59 HydrophobicContact CG1-CG2 3.94Å; I16-W71 HydrophobicContact CD1-CZ3 4.19Å; I16-A74 HydrophobicContact CD1-CB 3.95Å; I16-A74 HydrophobicContact CG2-CB 4.34Å; I16-M77 HydrophobicContact CG2-CB 4.11Å; I16-Q78 HydrophobicContact CD1-CG 4.32Å; I16-Q78 HydrophobicContact CG1-CG 4.44Å; I16-Q78 HydrophobicContact CG2-CG 3.95Å; I16-M81 HydrophobicContact CG2-CE 3.89Å
17R94.4Very high89.5Confident84 Ų8463.2 Ų63.232%0.31733%0.327SS..Hα-helixtrans-66-41.1-179.7-169.5-172.4-67.6147.1-3.1112.6E9 I13 Y20 K21 M77E9-R17 VanDerWaalsContact CD-NH2 3.26Å; E9-R17 IonicContact OE1-CZ 2.74Å; E9-R17 IonicContact OE1-NH1 3.61Å; E9-R17 PolarHBondContact OE1-NH1 3.49Å; E9-R17 IonicContact OE1-NH2 2.67Å; E9-R17 PolarHBondContact OE1-NH2 3.24Å; E9-R17 IonicContact OE2-CZ 2.67Å; E9-R17 IonicContact OE2-NH1 3.54Å; E9-R17 PolarHBondContact OE2-NH1 3.45Å; E9-R17 IonicContact OE2-NH2 2.65Å; E9-R17 PolarHBondContact OE2-NH2 2.88Å; I13-R17 WeakPolarHBondContact O-CB 3.46Å; I13-R17 PolarHBondContact O-N 3.33Å; R17-Y20 WeakPolarHBondContact O-CB 3.22Å; R17-Y20 PolarHBondContact O-N 3.29Å; R17-K21 WeakPolarHBondContact O-CG 3.33Å; R17-K21 PolarHBondContact O-N 2.98Å; R17-M77 HydrophobicContact CB-CE 4.27Å; R17-M77 HydrophobicContact CB-SD 4.27Å; R17-M77 HydrophobicContact CG-CE 4.41Å; R17-M77 HydrophobicContact CG-SD 4.18Å
18E95Very high91.6Very high74 Ų7459.6 Ų59.635%0.34631%0.308SS..Hα-helixtrans-72.8-30.2176.1-69.6-54.8125.700112.7K14 I15 K21 K22K14-E18 WeakPolarHBondContact O-CB 3.38Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 3.04Å; I15-E18 PolarHBondContact O-N 2.87Å; E18-K21 WeakPolarHBondContact OE1-CD 3.49Å; E18-K21 WeakPolarHBondContact OE1-CE 3.26Å; E18-K21 IonicContact OE1-NZ 3.49Å; E18-K21 PolarHBondContact OE1-NZ 3.43Å; E18-K22 WeakPolarHBondContact O-CG 3.25Å; E18-K22 PolarHBondContact O-N 3.19Å
19A96.2Very high93Very high0 Ų060.7 Ų60.70%029%0.294CS..Hα-helixtrans-65.1-46168.200000111.2I15 I16 K22 A23I15-A19 VanDerWaalsContact O-CB 3.29Å; I15-A19 WeakPolarHBondContact O-CB 3.43Å; I15-A19 PolarHBondContact O-N 3.17Å; I16-A19 PolarHBondContact O-N 2.57Å; A19-K22 PolarHBondContact O-N 3.37Å; A19-A23 VanDerWaalsContact O-CB 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.32Å; A19-A23 PolarHBondContact O-N 3.12Å
20Y96.4Very high93.8Very high70 Ų7056.8 Ų56.828%0.27528%0.276SS..Hα-helixtrans-55.6-54.6176.8-169.9-91.9000112I16 R17 K22 A23 F24 M77 K80 M81I16-Y20 WeakPolarHBondContact O-CB 3.5Å; I16-Y20 PolarHBondContact O-N 3.07Å; R17-Y20 WeakPolarHBondContact O-CB 3.22Å; R17-Y20 PolarHBondContact O-N 3.29Å; Y20-K22 VanDerWaalsContact C-N 3.33Å; Y20-K22 PolarHBondContact O-N 3.42Å; Y20-A23 PolarHBondContact O-N 2.69Å; Y20-F24 HydrophobicContact CD1-CD2 4.05Å; Y20-F24 HydrophobicContact CD2-CD2 4.06Å; Y20-F24 AromaticContact CD2-CE2 3.8Å; Y20-F24 HydrophobicContact CD2-CE2 3.8Å; Y20-F24 AromaticContact CE1-CD2 3.83Å; Y20-F24 HydrophobicContact CE1-CD2 3.83Å; Y20-F24 HydrophobicContact CE1-CE2 4.12Å; Y20-F24 AromaticContact CE2-CD2 3.88Å; Y20-F24 HydrophobicContact CE2-CD2 3.88Å; Y20-F24 AromaticContact CE2-CE2 3.36Å; Y20-F24 HydrophobicContact CE2-CE2 3.36Å; Y20-F24 HydrophobicContact CE2-CZ 4.27Å; Y20-F24 HydrophobicContact CG-CD2 4.16Å; Y20-F24 HydrophobicContact CG-CE2 4.36Å; Y20-F24 AromaticContact CZ-CD2 3.75Å; Y20-F24 AromaticContact CZ-CE2 3.53Å; Y20-F24 WeakPolarHBondContact O-CD2 3.43Å; Y20-F24 PolarHBondContact O-N 2.85Å; Y20-M77 HydrophobicContact CD1-CG 4.34Å; Y20-M77 HydrophobicContact CD1-SD 4.21Å; Y20-M77 HydrophobicContact CD2-CB 3.56Å; Y20-M77 HydrophobicContact CD2-CG 3.59Å; Y20-M77 HydrophobicContact CD2-SD 4.21Å; Y20-M77 HydrophobicContact CE2-CB 3.95Å; Y20-M77 HydrophobicContact CE2-CG 3.81Å; Y20-M77 HydrophobicContact CG-CB 4.18Å; Y20-M77 HydrophobicContact CG-CG 3.87Å; Y20-M77 HydrophobicContact CG-SD 3.87Å; Y20-K80 HydrophobicContact CE2-CB 4.25Å; Y20-M81 HydrophobicContact CD2-CE 4.06Å; Y20-M81 HydrophobicContact CD2-CG 4Å
21K95.6Very high94Very high110 Ų11057.5 Ų57.548%0.47828%0.276SS..Hα-helixtrans-55-46.7179.1-72.1172.4-175.9173.40112.2R17 E18 L25R17-K21 WeakPolarHBondContact O-CG 3.33Å; R17-K21 PolarHBondContact O-N 2.98Å; E18-K21 WeakPolarHBondContact OE1-CD 3.49Å; E18-K21 WeakPolarHBondContact OE1-CE 3.26Å; E18-K21 IonicContact OE1-NZ 3.49Å; E18-K21 PolarHBondContact OE1-NZ 3.43Å; K21-L25 VanDerWaalsContact O-CB 3.29Å; K21-L25 WeakPolarHBondContact O-CB 3.37Å; K21-L25 PolarHBondContact O-N 2.76Å
22K96.4Very high93.9Very high102 Ų10258.7 Ų58.744%0.44327%0.273SS..Hα-helixtrans-71.4-39.8-178.4-68.7-175.1-178.6-170.30112E18 A19 Y20 L25 F26 H52E18-K22 WeakPolarHBondContact O-CG 3.25Å; E18-K22 PolarHBondContact O-N 3.19Å; A19-K22 PolarHBondContact O-N 3.37Å; Y20-K22 VanDerWaalsContact C-N 3.33Å; Y20-K22 PolarHBondContact O-N 3.42Å; K22-L25 PolarHBondContact O-N 3.23Å; K22-F26 WeakPolarHBondContact O-CD2 3.48Å; K22-F26 PolarHBondContact O-N 3.19Å; K22-H52 HydrophobicContact CB-CB 4.28Å
23A96.2Very high93.9Very high0 Ų055.9 Ų55.90%026%0.26CS..Hα-helixtrans-55.9-55.8174.500000111.4A19 Y20 L25 F26 V27 H52 L53A19-A23 VanDerWaalsContact O-CB 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.32Å; A19-A23 PolarHBondContact O-N 3.12Å; Y20-A23 PolarHBondContact O-N 2.69Å; A23-L25 PolarHBondContact O-N 3.14Å; A23-F26 PolarHBondContact O-N 3.39Å; A23-V27 WeakPolarHBondContact O-CG2 3.49Å; A23-V27 PolarHBondContact O-N 3.01Å; A23-H52 HydrophobicContact CB-CB 3.84Å; A23-L53 HydrophobicContact CB-CD2 3.57Å; A23-L53 HydrophobicContact CB-CG 3.79Å
24F96.1Very high93.7Very high46 Ų4656.6 Ų56.620%0.20226%0.264CS..Hα-helixtrans-67.8-32.1-179.2-78.8-82.4000113.2Y20 F26 N28 K80 T84Y20-F24 HydrophobicContact CD1-CD2 4.05Å; Y20-F24 HydrophobicContact CD2-CD2 4.06Å; Y20-F24 AromaticContact CD2-CE2 3.8Å; Y20-F24 HydrophobicContact CD2-CE2 3.8Å; Y20-F24 AromaticContact CE1-CD2 3.83Å; Y20-F24 HydrophobicContact CE1-CD2 3.83Å; Y20-F24 HydrophobicContact CE1-CE2 4.12Å; Y20-F24 AromaticContact CE2-CD2 3.88Å; Y20-F24 HydrophobicContact CE2-CD2 3.88Å; Y20-F24 AromaticContact CE2-CE2 3.36Å; Y20-F24 HydrophobicContact CE2-CE2 3.36Å; Y20-F24 HydrophobicContact CE2-CZ 4.27Å; Y20-F24 HydrophobicContact CG-CD2 4.16Å; Y20-F24 HydrophobicContact CG-CE2 4.36Å; Y20-F24 AromaticContact CZ-CD2 3.75Å; Y20-F24 AromaticContact CZ-CE2 3.53Å; Y20-F24 WeakPolarHBondContact O-CD2 3.43Å; Y20-F24 PolarHBondContact O-N 2.85Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3Å; F24-N28 VanDerWaalsContact O-CB 3.29Å; F24-N28 WeakPolarHBondContact O-CB 3.44Å; F24-N28 PolarHBondContact O-N 3.48Å; F24-N28 PolarHBondContact O-OD1 2.99Å; F24-K80 HydrophobicContact CZ-CG 4.03Å; F24-T84 HydrophobicContact CE1-CG2 4.23Å; F24-T84 HydrophobicContact CZ-CG2 4.26Å; F24-T84 WeakPolarHBondContact CZ-OG1 3.31Å
25L95.4Very high93.2Very high98 Ų9857 Ų5751%0.51327%0.268SS..Hα-helixtrans-59.1-42.9170.8178.865.7000112.2K21 K22 A23 K29K21-L25 VanDerWaalsContact O-CB 3.29Å; K21-L25 WeakPolarHBondContact O-CB 3.37Å; K21-L25 PolarHBondContact O-N 2.76Å; K22-L25 PolarHBondContact O-N 3.23Å; A23-L25 PolarHBondContact O-N 3.14Å; L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.46Å
26F96.1Very high92.7Very high35 Ų3558.2 Ų58.215%0.15428%0.275CS..Hα-helixtrans-79.1-37.8179.4-78.9-64.4000113.3K22 A23 F24 K29 G30 Y45 Q48 H52K22-F26 WeakPolarHBondContact O-CD2 3.48Å; K22-F26 PolarHBondContact O-N 3.19Å; A23-F26 PolarHBondContact O-N 3.39Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3Å; F26-K29 PolarHBondContact O-N 3.39Å; F26-G30 PolarHBondContact O-N 2.93Å; F26-Y45 AromaticContact CD1-CD1 3.9Å; F26-Y45 HydrophobicContact CD1-CD1 3.9Å; F26-Y45 HydrophobicContact CE1-CD1 4.26Å; F26-Q48 HydrophobicContact CB-CB 4.34Å; F26-Q48 HydrophobicContact CD1-CB 3.81Å; F26-Q48 HydrophobicContact CD2-CB 4.15Å; F26-Q48 HydrophobicContact CE1-CB 4.07Å; F26-Q48 HydrophobicContact CE1-CG 4.45Å; F26-Q48 HydrophobicContact CE2-CB 4.38Å; F26-Q48 HydrophobicContact CG-CB 3.85Å; F26-Q48 HydrophobicContact CZ-CB 4.34Å; F26-H52 AromaticContact CD2-CD2 3.56Å; F26-H52 AromaticContact CD2-NE2 4Å; F26-H52 AromaticContact CE2-CD2 3.74Å; F26-H52 AromaticContact CE2-NE2 3.66Å
27V95.2Very high92Very high7 Ų759.2 Ų59.24%0.04229%0.285CS..Hα-helixtrans-62.9-42.4175.1171.90000111A23 K29 G30 L31 L53 T84 V88A23-V27 WeakPolarHBondContact O-CG2 3.49Å; A23-V27 PolarHBondContact O-N 3.01Å; V27-K29 PolarHBondContact O-N 3.01Å; V27-G30 WeakPolarHBondContact O-CA 3.37Å; V27-G30 PolarHBondContact O-N 3.47Å; V27-G30 VanDerWaalsContact O-N 3.15Å; V27-L31 HydrophobicContact CG1-CD1 4.18Å; V27-L31 WeakPolarHBondContact O-CG 3.43Å; V27-L31 PolarHBondContact O-N 2.88Å; V27-L53 HydrophobicContact CG2-CD1 4.37Å; V27-T84 HydrophobicContact CG1-CG2 4.12Å; V27-T84 HydrophobicContact CG2-CG2 4.1Å; V27-V88 HydrophobicContact CG1-CG2 3.82Å; V27-V88 HydrophobicContact CG2-CG2 3.87Å
28N92.5Very high91.7Very high84 Ų8458.8 Ų58.845%0.44929%0.287SS..Hα-helixtrans-66.9-35.3176.2-67.47.6000112.2F24 G30 N32F24-N28 VanDerWaalsContact O-CB 3.29Å; F24-N28 WeakPolarHBondContact O-CB 3.44Å; F24-N28 PolarHBondContact O-N 3.48Å; F24-N28 PolarHBondContact O-OD1 2.99Å; N28-G30 VanDerWaalsContact C-N 3.34Å; N28-N32 WeakPolarHBondContact O-CB 3.47Å; N28-N32 PolarHBondContact O-N 2.84Å; N28-N32 PolarHBondContact O-OD1 3.41Å; N28-N32 VanDerWaalsContact O-OD1 3.06Å
29K94Very high91.3Very high88 Ų8859.9 Ų59.938%0.38329%0.29SS..Hα-helixtrans-64.3-39.7170.2-77.3-178.1176.1-1670112.2L25 F26 V27 T33 Y45L25-K29 WeakPolarHBondContact O-CG 3.41Å; L25-K29 PolarHBondContact O-N 3.46Å; F26-K29 PolarHBondContact O-N 3.39Å; V27-K29 PolarHBondContact O-N 3.01Å; K29-T33 PolarHBondContact O-N 2.91Å; K29-T33 PolarHBondContact O-OG1 2.87Å; K29-Y45 HydrophobicContact CB-CD1 4.06Å; K29-Y45 HydrophobicContact CB-CD2 3.85Å; K29-Y45 HydrophobicContact CB-CE1 4.37Å; K29-Y45 HydrophobicContact CB-CE2 4.19Å; K29-Y45 HydrophobicContact CB-CG 3.77Å; K29-Y45 HydrophobicContact CD-CD1 4.16Å; K29-Y45 HydrophobicContact CD-CE1 3.88Å
30G91.2Very high91Very high0 Ų065.9 Ų65.90%032%0.318CS..Hα-helixtrans-56.3-57.6172.900000111F26 V27 N28 N32 T33 D34F26-G30 PolarHBondContact O-N 2.93Å; V27-G30 WeakPolarHBondContact O-CA 3.37Å; V27-G30 PolarHBondContact O-N 3.47Å; V27-G30 VanDerWaalsContact O-N 3.15Å; N28-G30 VanDerWaalsContact C-N 3.34Å; G30-N32 PolarHBondContact O-N 3.26Å; G30-T33 PolarHBondContact O-N 2.85Å; G30-T33 VanDerWaalsContact O-N 3.15Å; G30-T33 PolarHBondContact O-OG1 2.83Å; G30-D34 VanDerWaalsContact O-CB 3.29Å; G30-D34 WeakPolarHBondContact O-CB 3.29Å; G30-D34 PolarHBondContact O-N 3.38Å
31L89.6Confident90.7Very high73 Ų7366.5 Ų66.538%0.38232%0.324SS..Hα-helixtrans-53.1-52.3177.4-69.7165.8000112.1V27 T33 D34 E35 Y46V27-L31 HydrophobicContact CG1-CD1 4.18Å; V27-L31 WeakPolarHBondContact O-CG 3.43Å; V27-L31 PolarHBondContact O-N 2.88Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 3.17Å; L31-D34 WeakPolarHBondContact O-CB 3.49Å; L31-D34 PolarHBondContact O-N 2.91Å; L31-D34 VanDerWaalsContact O-N 3.12Å; L31-E35 WeakPolarHBondContact O-CB 3.19Å; L31-E35 WeakPolarHBondContact O-CG 3.36Å; L31-E35 PolarHBondContact O-N 2.8Å; L31-Y46 HydrophobicContact CG-CE1 4.39Å; L31-Y46 PolarHBondContact N-OH 2.78Å
32N86.9Confident90.5Very high96 Ų9661.3 Ų61.351%0.51330%0.301SS..Hα-helixtrans-58.2-40.1179.5-68.914.1000112.8N28 G30 L36N28-N32 WeakPolarHBondContact O-CB 3.47Å; N28-N32 PolarHBondContact O-N 2.84Å; N28-N32 PolarHBondContact O-OD1 3.41Å; N28-N32 VanDerWaalsContact O-OD1 3.06Å; G30-N32 PolarHBondContact O-N 3.26Å; N32-L36 WeakPolarHBondContact O-CB 3.39Å; N32-L36 WeakPolarHBondContact O-CD1 3.28Å; N32-L36 WeakPolarHBondContact O-CG 3.45Å; N32-L36 PolarHBondContact O-N 3.49Å; N32-L36 VanDerWaalsContact O-N 3.07Å
33T89.9Confident90.4Very high12 Ų1257.9 Ų57.97%0.07429%0.286CS..Hα-helixtrans-76.8-27.9178.245.10000113.2K29 G30 L31 L36 G37 Q38 E41 A42 Y45K29-T33 PolarHBondContact O-N 2.91Å; K29-T33 PolarHBondContact O-OG1 2.87Å; G30-T33 PolarHBondContact O-N 2.85Å; G30-T33 VanDerWaalsContact O-N 3.15Å; G30-T33 PolarHBondContact O-OG1 2.83Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 3.17Å; T33-L36 CarbonylContact O-C 3.58Å; T33-L36 PolarHBondContact O-N 3.42Å; T33-G37 PolarHBondContact O-N 3.43Å; T33-Q38 HydrophobicContact CG2-CB 4.46Å; T33-Q38 WeakPolarHBondContact O-CA 3.44Å; T33-Q38 WeakPolarHBondContact O-CB 3.38Å; T33-Q38 PolarHBondContact O-N 2.95Å; T33-E41 HydrophobicContact CG2-CB 4.09Å; T33-A42 VanDerWaalsContact OG1-CA 3.31Å; T33-A42 WeakPolarHBondContact OG1-CA 3.31Å; T33-A42 PolarHBondContact OG1-N 2.85Å; T33-Y45 HydrophobicContact CG2-CD2 4.12Å; T33-Y45 HydrophobicContact CG2-CE2 3.84Å
34D89.5Confident90.4Very high18 Ų1862 Ų6210%0.09631%0.308CS..Hα-helixtrans-68-44.9173.5-155.3-12.8000110.7G30 L31 G37 A42 Y46 R91G30-D34 VanDerWaalsContact O-CB 3.29Å; G30-D34 WeakPolarHBondContact O-CB 3.29Å; G30-D34 PolarHBondContact O-N 3.38Å; L31-D34 WeakPolarHBondContact O-CB 3.49Å; L31-D34 PolarHBondContact O-N 2.91Å; L31-D34 VanDerWaalsContact O-N 3.12Å; D34-G37 WeakPolarHBondContact O-CA 3.27Å; D34-G37 PolarHBondContact O-N 2.8Å; D34-A42 HydrophobicContact CB-CB 3.84Å; D34-Y46 HydrophobicContact CB-CE2 4.44Å; D34-Y46 WeakPolarHBondContact OD2-CE2 3.44Å; D34-Y46 PolarHBondContact OD2-OH 3.31Å; D34-R91 VanDerWaalsContact CG-NH2 3.35Å; D34-R91 IonicContact OD1-CZ 3.3Å; D34-R91 IonicContact OD1-NE 3.16Å; D34-R91 IonicContact OD1-NH2 3.58Å; D34-R91 PolarHBondContact OD1-NH2 3.34Å; D34-R91 WeakPolarHBondContact OD2-CG 3.06Å; D34-R91 IonicContact OD2-CZ 3Å; D34-R91 IonicContact OD2-NE 2.79Å; D34-R91 PolarHBondContact OD2-NE 2.95Å; D34-R91 IonicContact OD2-NH2 2.59Å; D34-R91 PolarHBondContact OD2-NH2 3.45Å
35E81.6Confident90.4Very high143 Ų14362.4 Ų62.467%0.66831%0.309SS*.Hα-helixtrans-63.8-35.8172.6-71172.2-170.200112.7L31 G37L31-E35 WeakPolarHBondContact O-CB 3.19Å; L31-E35 WeakPolarHBondContact O-CG 3.36Å; L31-E35 PolarHBondContact O-N 2.8Å; E35-G37 PolarHBondContact O-N 2.85Å
36L83.8Confident90.5Very high83 Ų8357.9 Ų57.944%0.43529%0.285SS..THydrogen-bonded Turntrans-75.1-2.4170.8-71166.7000113.5N32 T33 Q38N32-L36 WeakPolarHBondContact O-CB 3.39Å; N32-L36 WeakPolarHBondContact O-CD1 3.28Å; N32-L36 WeakPolarHBondContact O-CG 3.45Å; N32-L36 PolarHBondContact O-N 3.49Å; N32-L36 VanDerWaalsContact O-N 3.07Å; T33-L36 CarbonylContact O-C 3.58Å; T33-L36 PolarHBondContact O-N 3.42Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 HydrophobicContact CB-CG 4.39Å; L36-Q38 PolarHBondContact O-N 3.49Å
37G80.4Confident90.5Very high21 Ų2161.2 Ų61.222%0.21630%0.299CS..THydrogen-bonded Turntrans74.96.1-179.400000115.3T33 D34 E35 K39T33-G37 PolarHBondContact O-N 3.43Å; D34-G37 WeakPolarHBondContact O-CA 3.27Å; D34-G37 PolarHBondContact O-N 2.8Å; E35-G37 PolarHBondContact O-N 2.85Å; G37-K39 PolarHBondContact O-N 3.48Å
38Q87Confident90.5Very high75 Ų7564.1 Ų64.135%0.3531%0.313SS..  trans-77.861177.2-64171-90.500111.1T33 L36 E40 E41 A42T33-Q38 HydrophobicContact CG2-CB 4.46Å; T33-Q38 WeakPolarHBondContact O-CA 3.44Å; T33-Q38 WeakPolarHBondContact O-CB 3.38Å; T33-Q38 PolarHBondContact O-N 2.95Å; L36-Q38 VanDerWaalsContact C-N 3.26Å; L36-Q38 HydrophobicContact CB-CG 4.39Å; L36-Q38 PolarHBondContact O-N 3.49Å; Q38-E40 VanDerWaalsContact C-N 3.28Å; Q38-E40 PolarHBondContact O-N 3.45Å; Q38-E40 VanDerWaalsContact O-N 3.09Å; Q38-E41 HydrophobicContact CB-CB 4.2Å; Q38-E41 VanDerWaalsContact NE2-CD 3.27Å; Q38-E41 PolarHBondContact NE2-OE1 3.03Å; Q38-E41 PolarHBondContact NE2-OE2 3.34Å; Q38-E41 PolarHBondContact O-N 3.24Å; Q38-A42 PolarHBondContact O-N 3.35Å
39K88.2Confident90.7Very high96 Ų9660.1 Ų60.142%0.41729%0.291SS..Hα-helixtrans-53.5-34.9-168.7-65.5-176.5-179.6179.90115.2G37 A42 K43 L95G37-K39 PolarHBondContact O-N 3.48Å; K39-A42 PolarHBondContact O-N 2.99Å; K39-K43 VanDerWaalsContact O-CG 3.29Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.07Å; K39-L95 HydrophobicContact CB-CD2 4.27Å; K39-L95 HydrophobicContact CD-CD2 4.01Å; K39-L95 HydrophobicContact CG-CD2 3.92Å
40E88.8Confident90.9Very high127 Ų12757.1 Ų57.159%0.59328%0.279SS*.Hα-helixtrans-74.5-33.7177.8-59.1-48.2123.400113.2Q38 K43 N44Q38-E40 VanDerWaalsContact C-N 3.28Å; Q38-E40 PolarHBondContact O-N 3.45Å; Q38-E40 VanDerWaalsContact O-N 3.09Å; E40-K43 WeakPolarHBondContact OE1-CE 3.49Å; E40-K43 IonicContact OE1-NZ 2.86Å; E40-K43 PolarHBondContact OE1-NZ 3.11Å; E40-K43 VanDerWaalsContact OE2-CD 3.24Å; E40-K43 WeakPolarHBondContact OE2-CD 3.3Å; E40-K43 IonicContact OE2-NZ 2.78Å; E40-K43 PolarHBondContact OE2-NZ 2.94Å; E40-N44 PolarHBondContact O-N 3.03Å; E40-N44 VanDerWaalsContact O-N 3.11Å
41E90.8Very high91.1Very high83 Ų8359 Ų5939%0.38830%0.299SS..Hα-helixtrans-69.8-40.1170.5-70.2-177.9-126.300110.8T33 Q38 K43 N44 Y45T33-E41 HydrophobicContact CG2-CB 4.09Å; Q38-E41 HydrophobicContact CB-CB 4.2Å; Q38-E41 VanDerWaalsContact NE2-CD 3.27Å; Q38-E41 PolarHBondContact NE2-OE1 3.03Å; Q38-E41 PolarHBondContact NE2-OE2 3.34Å; Q38-E41 PolarHBondContact O-N 3.24Å; E41-K43 PolarHBondContact O-N 3.28Å; E41-N44 WeakPolarHBondContact O-CB 3.43Å; E41-N44 PolarHBondContact O-N 2.92Å; E41-N44 VanDerWaalsContact O-N 3.16Å; E41-Y45 HydrophobicContact CB-CD2 4.43Å; E41-Y45 HydrophobicContact CB-CE2 4.21Å; E41-Y45 WeakPolarHBondContact O-CD2 3.2Å; E41-Y45 PolarHBondContact O-N 2.62Å
42A91.7Very high91.5Very high0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-57.9-49.3174.100000111.5T33 D34 Q38 K39 N44 Y45 Y46 L95T33-A42 VanDerWaalsContact OG1-CA 3.31Å; T33-A42 WeakPolarHBondContact OG1-CA 3.31Å; T33-A42 PolarHBondContact OG1-N 2.85Å; D34-A42 HydrophobicContact CB-CB 3.84Å; Q38-A42 PolarHBondContact O-N 3.35Å; K39-A42 PolarHBondContact O-N 2.99Å; A42-N44 VanDerWaalsContact C-N 3.32Å; A42-N44 PolarHBondContact O-N 3.38Å; A42-Y45 PolarHBondContact O-N 2.88Å; A42-Y46 HydrophobicContact CB-CD2 4.36Å; A42-Y46 HydrophobicContact CB-CE2 4.01Å; A42-Y46 WeakPolarHBondContact O-CB 3.45Å; A42-Y46 WeakPolarHBondContact O-CD2 3.25Å; A42-Y46 VanDerWaalsContact O-CG 3.28Å; A42-Y46 PolarHBondContact O-N 2.81Å; A42-L95 HydrophobicContact CB-CD1 3.99Å
43K93.9Very high92Very high30 Ų3053.1 Ų53.113%0.1327%0.266CS..Hα-helixtrans-53-46.9172.5-75.7165.5177.5176.20112.2K39 E40 E41 K47 L92 L95 E96K39-K43 VanDerWaalsContact O-CG 3.29Å; K39-K43 WeakPolarHBondContact O-CG 3.37Å; K39-K43 PolarHBondContact O-N 3.07Å; E40-K43 WeakPolarHBondContact OE1-CE 3.49Å; E40-K43 IonicContact OE1-NZ 2.86Å; E40-K43 PolarHBondContact OE1-NZ 3.11Å; E40-K43 VanDerWaalsContact OE2-CD 3.24Å; E40-K43 WeakPolarHBondContact OE2-CD 3.3Å; E40-K43 IonicContact OE2-NZ 2.78Å; E40-K43 PolarHBondContact OE2-NZ 2.94Å; E41-K43 PolarHBondContact O-N 3.28Å; K43-K47 WeakPolarHBondContact O-CB 3.49Å; K43-K47 VanDerWaalsContact O-CG 3.28Å; K43-K47 WeakPolarHBondContact O-CG 3.48Å; K43-K47 PolarHBondContact O-N 3.49Å; K43-L92 HydrophobicContact CB-CD1 4Å; K43-L92 HydrophobicContact CG-CD1 3.84Å; K43-L95 WeakPolarHBondContact CE-O 3.35Å; K43-L95 HydrophobicContact CG-CB 4.04Å; K43-L95 HydrophobicContact CG-CD1 4.38Å; K43-L95 PolarHBondContact NZ-O 3.46Å; K43-L95 VanDerWaalsContact NZ-O 3.17Å; K43-E96 HydrophobicContact CD-CG 4.31Å; K43-E96 HydrophobicContact CG-CG 4.39Å
44N95.5Very high92.3Very high87 Ų8756.2 Ų56.247%0.46528%0.282SS..Hα-helixtrans-63.4-44.5179.6-17824.5000112.3E40 E41 A42 K47 Q48E40-N44 PolarHBondContact O-N 3.03Å; E40-N44 VanDerWaalsContact O-N 3.11Å; E41-N44 WeakPolarHBondContact O-CB 3.43Å; E41-N44 PolarHBondContact O-N 2.92Å; E41-N44 VanDerWaalsContact O-N 3.16Å; A42-N44 VanDerWaalsContact C-N 3.32Å; A42-N44 PolarHBondContact O-N 3.38Å; N44-K47 PolarHBondContact O-N 2.99Å; N44-Q48 PolarHBondContact O-N 2.86Å; N44-Q48 VanDerWaalsContact O-N 3.11Å; N44-Q48 PolarHBondContact O-NE2 2.82Å; N44-Q48 VanDerWaalsContact O-NE2 3.13Å; N44-Q48 PolarHBondContact OD1-NE2 3.47Å
45Y97Very high92.6Very high54 Ų5461.3 Ų61.321%0.21230%0.3CS..Hα-helixtrans-70.2-38.7178-69.2-48.1000112.6F26 K29 T33 E41 A42 Q48 G49F26-Y45 AromaticContact CD1-CD1 3.9Å; F26-Y45 HydrophobicContact CD1-CD1 3.9Å; F26-Y45 HydrophobicContact CE1-CD1 4.26Å; K29-Y45 HydrophobicContact CB-CD1 4.06Å; K29-Y45 HydrophobicContact CB-CD2 3.85Å; K29-Y45 HydrophobicContact CB-CE1 4.37Å; K29-Y45 HydrophobicContact CB-CE2 4.19Å; K29-Y45 HydrophobicContact CB-CG 3.77Å; K29-Y45 HydrophobicContact CD-CD1 4.16Å; K29-Y45 HydrophobicContact CD-CE1 3.88Å; T33-Y45 HydrophobicContact CG2-CD2 4.12Å; T33-Y45 HydrophobicContact CG2-CE2 3.84Å; E41-Y45 HydrophobicContact CB-CD2 4.43Å; E41-Y45 HydrophobicContact CB-CE2 4.21Å; E41-Y45 WeakPolarHBondContact O-CD2 3.2Å; E41-Y45 PolarHBondContact O-N 2.62Å; A42-Y45 PolarHBondContact O-N 2.88Å; Y45-Q48 PolarHBondContact O-N 3.4Å; Y45-G49 PolarHBondContact O-N 3.07Å
46Y97.2Very high93.2Very high3 Ų354.5 Ų54.51%0.01227%0.268CS..Hα-helixtrans-62.5-40.8172.6-68.2-42.5000112.2L31 D34 A42 Q48 G49 I50 V88 R91 L95L31-Y46 HydrophobicContact CG-CE1 4.39Å; L31-Y46 PolarHBondContact N-OH 2.78Å; D34-Y46 HydrophobicContact CB-CE2 4.44Å; D34-Y46 WeakPolarHBondContact OD2-CE2 3.44Å; D34-Y46 PolarHBondContact OD2-OH 3.31Å; A42-Y46 HydrophobicContact CB-CD2 4.36Å; A42-Y46 HydrophobicContact CB-CE2 4.01Å; A42-Y46 WeakPolarHBondContact O-CB 3.45Å; A42-Y46 WeakPolarHBondContact O-CD2 3.25Å; A42-Y46 VanDerWaalsContact O-CG 3.28Å; A42-Y46 PolarHBondContact O-N 2.81Å; Y46-Q48 PolarHBondContact O-N 3.01Å; Y46-G49 PolarHBondContact O-N 2.97Å; Y46-I50 VanDerWaalsContact O-CG1 3.3Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 2.77Å; Y46-V88 HydrophobicContact CD1-CG1 3.7Å; Y46-V88 HydrophobicContact CD1-CG2 4.48Å; Y46-V88 HydrophobicContact CG-CG1 3.95Å; Y46-R91 HydrophobicContact CE2-CG 3.89Å; Y46-L95 HydrophobicContact CD2-CD1 4.01Å; Y46-L95 HydrophobicContact CE2-CD1 3.67Å
47K96.4Very high93.8Very high105 Ų10552.6 Ų52.646%0.45726%0.257SS..Hα-helixtrans-62.1-42174.8-74.8174.7-178-177.40112.5K43 N44 I50 G51 L92 E96K43-K47 WeakPolarHBondContact O-CB 3.49Å; K43-K47 VanDerWaalsContact O-CG 3.28Å; K43-K47 WeakPolarHBondContact O-CG 3.48Å; K43-K47 PolarHBondContact O-N 3.49Å; N44-K47 PolarHBondContact O-N 2.99Å; K47-I50 PolarHBondContact O-N 3.12Å; K47-G51 PolarHBondContact O-N 2.88Å; K47-G51 VanDerWaalsContact O-N 3.16Å; K47-L92 HydrophobicContact CG-CD1 4.42Å; K47-L92 HydrophobicContact CG-CD2 3.81Å; K47-E96 WeakPolarHBondContact CE-OE1 3.28Å; K47-E96 IonicContact NZ-OE1 2.72Å; K47-E96 PolarHBondContact NZ-OE1 3.4Å
48Q95.5Very high94.4Very high69 Ų6955.9 Ų55.932%0.32228%0.277SS..Hα-helixtrans-65-40.2172.5-73169.384.100112.2F26 N44 Y45 Y46 G51 H52F26-Q48 HydrophobicContact CB-CB 4.34Å; F26-Q48 HydrophobicContact CD1-CB 3.81Å; F26-Q48 HydrophobicContact CD2-CB 4.15Å; F26-Q48 HydrophobicContact CE1-CB 4.07Å; F26-Q48 HydrophobicContact CE1-CG 4.45Å; F26-Q48 HydrophobicContact CE2-CB 4.38Å; F26-Q48 HydrophobicContact CG-CB 3.85Å; F26-Q48 HydrophobicContact CZ-CB 4.34Å; N44-Q48 PolarHBondContact O-N 2.86Å; N44-Q48 VanDerWaalsContact O-N 3.11Å; N44-Q48 PolarHBondContact O-NE2 2.82Å; N44-Q48 VanDerWaalsContact O-NE2 3.13Å; N44-Q48 PolarHBondContact OD1-NE2 3.47Å; Y45-Q48 PolarHBondContact O-N 3.4Å; Y46-Q48 PolarHBondContact O-N 3.01Å; Q48-G51 PolarHBondContact O-N 2.83Å; Q48-H52 PolarHBondContact O-CD2 3.48Å; Q48-H52 VanDerWaalsContact O-CD2 3.3Å; Q48-H52 PolarHBondContact O-N 2.86Å
49G96.7Very high94.7Very high0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-58.5-51173.600000112.3Y45 Y46 G51 H52 L53Y45-G49 PolarHBondContact O-N 3.07Å; Y46-G49 PolarHBondContact O-N 2.97Å; G49-G51 VanDerWaalsContact C-N 3.31Å; G49-G51 PolarHBondContact O-N 2.92Å; G49-H52 PolarHBondContact O-N 3.22Å; G49-L53 VanDerWaalsContact O-CG 3.32Å; G49-L53 WeakPolarHBondContact O-CG 3.46Å; G49-L53 PolarHBondContact O-N 2.92Å
50I96.5Very high94.8Very high24 Ų2451.4 Ų51.412%0.12326%0.264CS..Hα-helixtrans-54.6-44.8176.5-72.2166.2000111.4Y46 K47 H52 L53 L54 L85 V88 R89 L92Y46-I50 VanDerWaalsContact O-CG1 3.3Å; Y46-I50 WeakPolarHBondContact O-CG1 3.29Å; Y46-I50 PolarHBondContact O-N 2.77Å; K47-I50 PolarHBondContact O-N 3.12Å; I50-H52 VanDerWaalsContact C-N 3.31Å; I50-H52 PolarHBondContact O-N 3.02Å; I50-L53 PolarHBondContact O-N 2.83Å; I50-L54 HydrophobicContact CG2-CD1 3.78Å; I50-L54 HydrophobicContact CG2-CG 4.32Å; I50-L54 WeakPolarHBondContact O-CB 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.27Å; I50-L54 PolarHBondContact O-N 3.25Å; I50-L85 HydrophobicContact CB-CD1 4.38Å; I50-L85 HydrophobicContact CG1-CD1 4.11Å; I50-L85 HydrophobicContact CG2-CD1 3.93Å; I50-V88 HydrophobicContact CD1-CG1 4.06Å; I50-V88 HydrophobicContact CG1-CG1 3.84Å; I50-R89 HydrophobicContact CD1-CG 4.29Å; I50-L92 HydrophobicContact CD1-CD2 3.67Å
51G96.1Very high94.7Very high41 Ų4146 Ų4642%0.42324%0.239SC..Hα-helixtrans-59.4-39.3176.800000113.2K47 Q48 G49 R55K47-G51 PolarHBondContact O-N 2.88Å; K47-G51 VanDerWaalsContact O-N 3.16Å; Q48-G51 PolarHBondContact O-N 2.83Å; G49-G51 VanDerWaalsContact C-N 3.31Å; G49-G51 PolarHBondContact O-N 2.92Å; G51-R55 WeakPolarHBondContact O-CB 3.24Å; G51-R55 PolarHBondContact O-N 2.93Å
52H97.4Very high94.3Very high45 Ų4551 Ų5121%0.20826%0.26CS..Hα-helixtrans-74.8-38175.4-75.9-60.4000113.5K22 A23 F26 Q48 G49 I50 R55 G56K22-H52 HydrophobicContact CB-CB 4.28Å; A23-H52 HydrophobicContact CB-CB 3.84Å; F26-H52 AromaticContact CD2-CD2 3.56Å; F26-H52 AromaticContact CD2-NE2 4Å; F26-H52 AromaticContact CE2-CD2 3.74Å; F26-H52 AromaticContact CE2-NE2 3.66Å; Q48-H52 PolarHBondContact O-CD2 3.48Å; Q48-H52 VanDerWaalsContact O-CD2 3.3Å; Q48-H52 PolarHBondContact O-N 2.86Å; G49-H52 PolarHBondContact O-N 3.22Å; I50-H52 VanDerWaalsContact C-N 3.31Å; I50-H52 PolarHBondContact O-N 3.02Å; H52-R55 PolarHBondContact O-N 3.25Å; H52-G56 PolarHBondContact O-N 2.99Å; H52-G56 VanDerWaalsContact O-N 3.09Å
53L97.2Very high93.9Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-58.9-51.4174-68.3168.2000110.6A23 V27 G49 I50 R55 G56 I57 M81 T84 L85A23-L53 HydrophobicContact CB-CD2 3.57Å; A23-L53 HydrophobicContact CB-CG 3.79Å; V27-L53 HydrophobicContact CG2-CD1 4.37Å; G49-L53 VanDerWaalsContact O-CG 3.32Å; G49-L53 WeakPolarHBondContact O-CG 3.46Å; G49-L53 PolarHBondContact O-N 2.92Å; I50-L53 PolarHBondContact O-N 2.83Å; L53-R55 PolarHBondContact O-N 2.87Å; L53-G56 PolarHBondContact O-N 2.85Å; L53-G56 VanDerWaalsContact O-N 3.13Å; L53-I57 HydrophobicContact CB-CD1 4.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.48Å; L53-I57 VanDerWaalsContact O-CG1 3.23Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.18Å; L53-M81 HydrophobicContact CD2-CB 3.74Å; L53-M81 HydrophobicContact CD2-CG 3.69Å; L53-M81 HydrophobicContact CD2-SD 4.4Å; L53-T84 HydrophobicContact CD1-CG2 4.05Å; L53-T84 HydrophobicContact CD2-CG2 4.22Å; L53-L85 HydrophobicContact CB-CB 4.39Å; L53-L85 HydrophobicContact CB-CD1 4.36Å; L53-L85 HydrophobicContact CD1-CB 4.13Å; L53-L85 HydrophobicContact CD1-CD1 4.36Å
54L96.9Very high93.1Very high76 Ų7660.6 Ų60.640%0.39832%0.318SS..Hα-helixtrans-58.4-45.1178.1-71.1170.1000111.9I50 G56 I57 S58 L85I50-L54 HydrophobicContact CG2-CD1 3.78Å; I50-L54 HydrophobicContact CG2-CG 4.32Å; I50-L54 WeakPolarHBondContact O-CB 3.26Å; I50-L54 WeakPolarHBondContact O-CG 3.27Å; I50-L54 PolarHBondContact O-N 3.25Å; L54-G56 VanDerWaalsContact C-N 3.26Å; L54-G56 PolarHBondContact O-N 2.81Å; L54-I57 PolarHBondContact O-N 3.3Å; L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.01Å; L54-S58 PolarHBondContact O-OG 2.8Å; L54-L85 HydrophobicContact CD2-CD1 4.44Å; L54-L85 HydrophobicContact CD2-CD2 3.66Å; L54-L85 HydrophobicContact CG-CD1 4.37Å; L54-L85 HydrophobicContact CG-CD2 4.35Å
55R95.6Very high92.3Very high126 Ų12664.5 Ų64.548%0.47533%0.334SS..Hα-helixtrans-62.4-28.3177.4-175.8176.6-177-86.4-0.8113.8G51 H52 L53 S58 I59G51-R55 WeakPolarHBondContact O-CB 3.24Å; G51-R55 PolarHBondContact O-N 2.93Å; H52-R55 PolarHBondContact O-N 3.25Å; L53-R55 PolarHBondContact O-N 2.87Å; R55-S58 PolarHBondContact O-OG 2.83Å; R55-I59 WeakPolarHBondContact O-CG1 3.5Å
56G95Very high91.6Very high0 Ų062.8 Ų62.80%033%0.328CS..Hα-helixtrans-82.7-36.7174.900000112.9H52 L53 L54 Q78H52-G56 PolarHBondContact O-N 2.99Å; H52-G56 VanDerWaalsContact O-N 3.09Å; L53-G56 PolarHBondContact O-N 2.85Å; L53-G56 VanDerWaalsContact O-N 3.13Å; L54-G56 VanDerWaalsContact C-N 3.26Å; L54-G56 PolarHBondContact O-N 2.81Å; G56-Q78 WeakPolarHBondContact O-CG 3.31Å; G56-Q78 PolarHBondContact O-NE2 3.17Å
57I95.6Very high90.9Very high42 Ų4267.6 Ų67.622%0.21536%0.358CS..Hα-helixtrans-70.8-30.3178-65.7162.1000111.8L53 L54 I59 M81 K82 L85L53-I57 HydrophobicContact CB-CD1 4.49Å; L53-I57 WeakPolarHBondContact O-CD1 3.48Å; L53-I57 VanDerWaalsContact O-CG1 3.23Å; L53-I57 WeakPolarHBondContact O-CG1 3.46Å; L53-I57 PolarHBondContact O-N 3.18Å; L54-I57 PolarHBondContact O-N 3.3Å; I57-I59 VanDerWaalsContact C-N 3.26Å; I57-I59 PolarHBondContact O-N 2.96Å; I57-M81 HydrophobicContact CD1-CB 3.96Å; I57-M81 HydrophobicContact CG1-CB 3.74Å; I57-K82 HydrophobicContact CD1-CG 3.93Å; I57-K82 HydrophobicContact CG1-CG 4.04Å; I57-K82 HydrophobicContact CG2-CG 4.22Å; I57-L85 HydrophobicContact CD1-CB 4.27Å; I57-L85 HydrophobicContact CD1-CD2 3.74Å
58S94.2Very high90.4Very high90 Ų9063.9 Ų63.963%0.62935%0.349SS*.THydrogen-bonded Turntrans-76.2-1.4-176.6670000115.6L54 R55L54-S58 WeakPolarHBondContact O-CB 3.4Å; L54-S58 PolarHBondContact O-N 3.01Å; L54-S58 PolarHBondContact O-OG 2.8Å; R55-S58 PolarHBondContact O-OG 2.83Å
59I93.4Very high90Very high33 Ų3365.7 Ų65.717%0.16937%0.367CS..SBendtrans-89.1136.4179.7-50.5-57.6000109.5E12 I15 I16 R55 I57 Q78E12-I59 HydrophobicContact CB-CG2 3.73Å; E12-I59 HydrophobicContact CG-CG2 4.09Å; I15-I59 HydrophobicContact CG2-CD1 3.73Å; I15-I59 HydrophobicContact CG2-CG1 3.93Å; I16-I59 HydrophobicContact CD1-CB 3.93Å; I16-I59 HydrophobicContact CD1-CG2 3.83Å; I16-I59 HydrophobicContact CG1-CB 3.73Å; I16-I59 HydrophobicContact CG1-CG1 3.91Å; I16-I59 HydrophobicContact CG1-CG2 3.94Å; R55-I59 WeakPolarHBondContact O-CG1 3.5Å; I57-I59 VanDerWaalsContact C-N 3.26Å; I57-I59 PolarHBondContact O-N 2.96Å; I59-Q78 PolarHBondContact O-NE2 2.87Å
60S90.3Very high89.6Confident45 Ų4567.1 Ų67.132%0.31538%0.382SS..  trans-68.7141.8179.3-165.80000111.9E63 H66 W71S60-E63 WeakPolarHBondContact CB-OE1 3.4Å; S60-E63 PolarHBondContact OG-OE1 2.94Å; S60-H66 PolarHBondContact O-ND1 3.26Å; S60-W71 WeakPolarHBondContact O-CH2 2.92Å; S60-W71 VanDerWaalsContact O-CZ3 3.29Å; S60-W71 WeakPolarHBondContact O-CZ3 3.41Å
61S86Confident89.4Confident12 Ų1266.7 Ų66.78%0.08438%0.379CS..  trans-151.412.1-176.5660000113.3R75 Q78S61-R75 WeakPolarHBondContact O-CD 3.29Å; S61-R75 PolarHBondContact O-NH1 3.07Å; S61-Q78 PolarHBondContact OG-OE1 3.01Å
62K81.7Confident89.1Confident190 Ų19069.6 Ų69.683%0.82638%0.381SS*.  trans-117.4-1-176-73.3-167.6172-1680114
63E84.2Confident88.7Confident110 Ų11069.9 Ų69.951%0.51439%0.389SS..SBendtrans-73.4153.1-180-74.2164.4-125.500111.3S60 E65 H66S60-E63 WeakPolarHBondContact CB-OE1 3.4Å; S60-E63 PolarHBondContact OG-OE1 2.94Å; E63-E65 PolarHBondContact O-N 2.97Å; E63-E65 VanDerWaalsContact O-N 3.08Å; E63-H66 WeakPolarHBondContact O-CB 3.36Å; E63-H66 PolarHBondContact O-N 3.16Å
64S75.7Confident88.5Confident120 Ų12069.9 Ų69.984%0.83939%0.389SS*.THydrogen-bonded Turntrans-60-23.4-173.2-52.50000113.8H66S64-H66 VanDerWaalsContact C-N 3.33Å
65E78.8Confident88.4Confident169 Ų16970.1 Ų70.179%0.7938%0.384SS*.THydrogen-bonded Turntrans-79.4-17177.9-56.4-173.1-172.800112.1E63 T67E63-E65 PolarHBondContact O-N 2.97Å; E63-E65 VanDerWaalsContact O-N 3.08Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 2.82Å
66H83.9Confident88.2Confident18 Ų1870.8 Ų70.88%0.08339%0.393CS..  trans-87.557.6-169.1-64.1-171.6000112E12 S60 E63 S64 W71 R75E12-H66 IonicContact OE2-CE1 3.59Å; E12-H66 PolarHBondContact OE2-CE1 3.22Å; E12-H66 IonicContact OE2-NE2 3.63Å; S60-H66 PolarHBondContact O-ND1 3.26Å; E63-H66 WeakPolarHBondContact O-CB 3.36Å; E63-H66 PolarHBondContact O-N 3.16Å; S64-H66 VanDerWaalsContact C-N 3.33Å; H66-W71 VanDerWaalsContact C-CD1 3.43Å; H66-W71 HydrophobicContact CB-CD2 3.61Å; H66-W71 HydrophobicContact CB-CE3 4.02Å; H66-W71 HydrophobicContact CB-CG 3.88Å; H66-W71 HydrophobicContact CB-CH2 4.43Å; H66-W71 HydrophobicContact CB-CZ2 4.08Å; H66-W71 HydrophobicContact CB-CZ3 4.42Å; H66-W71 AromaticContact CD2-CE2 3.79Å; H66-W71 AromaticContact CD2-CZ2 3.55Å; H66-W71 AromaticContact CE1-CH2 3.45Å; H66-W71 VanDerWaalsContact CE1-CH2 3.45Å; H66-W71 WeakPolarHBondContact CE1-CH2 3.26Å; H66-W71 AromaticContact CE1-CZ2 3.51Å; H66-W71 AromaticContact CG-CD2 3.95Å; H66-W71 AromaticContact CG-CE2 3.53Å; H66-W71 AromaticContact CG-CH2 3.77Å; H66-W71 AromaticContact CG-CZ2 3.44Å; H66-W71 VanDerWaalsContact CG-CZ2 3.44Å; H66-W71 AromaticContact ND1-CE2 3.94Å; H66-W71 AromaticContact ND1-CH2 3.25Å; H66-W71 WeakPolarHBondContact ND1-CH2 3.47Å; H66-W71 AromaticContact ND1-CZ2 3.41Å; H66-W71 WeakPolarHBondContact ND1-CZ2 3.25Å; H66-W71 AromaticContact ND1-CZ3 3.67Å; H66-W71 AromaticContact NE2-CZ2 3.61Å; H66-W71 VanDerWaalsContact O-CB 3.3Å; H66-W71 WeakPolarHBondContact O-CB 3.46Å; H66-R75 PolarHBondContact O-NH1 3.35Å; H66-R75 PolarHBondContact O-NH2 3Å; H66-R75 VanDerWaalsContact O-NH2 3.11Å
67T81.6Confident88.2Confident105 Ų10571.8 Ų71.864%0.64440%0.398SS*.  trans-104.3160.1-174.8580000113.3E65E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 2.82Å
68G85.8Confident88.2Confident27 Ų2770.2 Ų70.228%0.27839%0.389SS..SBendtrans90.7173177.600000115.7G70 W71 E72G68-G70 PolarHBondContact O-N 2.98Å; G68-W71 PolarHBondContact O-N 3.02Å; G68-E72 PolarHBondContact O-N 2.84Å; G68-E72 VanDerWaalsContact O-N 3.09Å
69P86.4Confident88.2Confident106 Ų10670.4 Ų70.469%0.68838%0.38SS*.Hα-helixtrans-68.1-29.1-162.524.8-35.2000114.2W71 E72 S73P69-W71 VanDerWaalsContact C-N 3.33Å; P69-E72 PolarHBondContact O-N 2.75Å; P69-S73 WeakPolarHBondContact O-CB 3.28Å; P69-S73 PolarHBondContact O-N 3.02Å
70G88.4Confident88.3Confident31 Ų3173.4 Ų73.432%0.3239%0.392SS..Hα-helixtrans-62.8-40.9173.100000112.1G68 A74G68-G70 PolarHBondContact O-N 2.98Å; G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.88Å
71W93.2Very high88.6Confident15 Ų1571.3 Ų71.36%0.05738%0.377CS..Hα-helixtrans-75.3-31.5177.8-83.8118.3000113P10 E12 I13 I16 S60 H66 G68 P69 A74 R75P10-W71 HydrophobicContact CB-CZ2 4.43Å; E12-W71 HydrophobicContact CB-CH2 3.7Å; E12-W71 HydrophobicContact CB-CZ2 4.27Å; E12-W71 WeakPolarHBondContact OE2-CH2 3.37Å; I13-W71 HydrophobicContact CD1-CD2 3.75Å; I13-W71 HydrophobicContact CD1-CE3 4.33Å; I13-W71 HydrophobicContact CD1-CG 3.85Å; I13-W71 HydrophobicContact CD1-CZ2 4.46Å; I13-W71 HydrophobicContact CG1-CD2 3.8Å; I13-W71 HydrophobicContact CG1-CE3 3.9Å; I13-W71 HydrophobicContact CG1-CG 4.4Å; I13-W71 HydrophobicContact CG1-CH2 4.2Å; I13-W71 HydrophobicContact CG1-CZ2 4.1Å; I13-W71 HydrophobicContact CG1-CZ3 4.09Å; I16-W71 HydrophobicContact CD1-CZ3 4.19Å; S60-W71 WeakPolarHBondContact O-CH2 2.92Å; S60-W71 VanDerWaalsContact O-CZ3 3.29Å; S60-W71 WeakPolarHBondContact O-CZ3 3.41Å; H66-W71 VanDerWaalsContact C-CD1 3.43Å; H66-W71 HydrophobicContact CB-CD2 3.61Å; H66-W71 HydrophobicContact CB-CE3 4.02Å; H66-W71 HydrophobicContact CB-CG 3.88Å; H66-W71 HydrophobicContact CB-CH2 4.43Å; H66-W71 HydrophobicContact CB-CZ2 4.08Å; H66-W71 HydrophobicContact CB-CZ3 4.42Å; H66-W71 AromaticContact CD2-CE2 3.79Å; H66-W71 AromaticContact CD2-CZ2 3.55Å; H66-W71 AromaticContact CE1-CH2 3.45Å; H66-W71 VanDerWaalsContact CE1-CH2 3.45Å; H66-W71 WeakPolarHBondContact CE1-CH2 3.26Å; H66-W71 AromaticContact CE1-CZ2 3.51Å; H66-W71 AromaticContact CG-CD2 3.95Å; H66-W71 AromaticContact CG-CE2 3.53Å; H66-W71 AromaticContact CG-CH2 3.77Å; H66-W71 AromaticContact CG-CZ2 3.44Å; H66-W71 VanDerWaalsContact CG-CZ2 3.44Å; H66-W71 AromaticContact ND1-CE2 3.94Å; H66-W71 AromaticContact ND1-CH2 3.25Å; H66-W71 WeakPolarHBondContact ND1-CH2 3.47Å; H66-W71 AromaticContact ND1-CZ2 3.41Å; H66-W71 WeakPolarHBondContact ND1-CZ2 3.25Å; H66-W71 AromaticContact ND1-CZ3 3.67Å; H66-W71 AromaticContact NE2-CZ2 3.61Å; H66-W71 VanDerWaalsContact O-CB 3.3Å; H66-W71 WeakPolarHBondContact O-CB 3.46Å; G68-W71 PolarHBondContact O-N 3.02Å; P69-W71 VanDerWaalsContact C-N 3.33Å; W71-A74 HydrophobicContact CE3-CB 3.98Å; W71-A74 HydrophobicContact CZ3-CB 4.45Å; W71-A74 WeakPolarHBondContact O-CB 3.26Å; W71-A74 PolarHBondContact O-N 2.91Å; W71-R75 WeakPolarHBondContact O-CG 3.31Å; W71-R75 PolarHBondContact O-N 2.85Å; W71-R75 PolarHBondContact O-NE 3.49Å
72E89.2Confident89Confident102 Ų10275.4 Ų75.448%0.47739%0.394SS..Hα-helixtrans-63.6-46.1169.3-71.1157.7-150.500111.6G68 P69 A74 R75 Q76G68-E72 PolarHBondContact O-N 2.84Å; G68-E72 VanDerWaalsContact O-N 3.09Å; P69-E72 PolarHBondContact O-N 2.75Å; E72-A74 VanDerWaalsContact C-N 3.32Å; E72-A74 PolarHBondContact O-N 2.98Å; E72-R75 PolarHBondContact O-N 2.98Å; E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.16Å
73S90.2Very high89.6Confident51 Ų5169.5 Ų69.536%0.35737%0.369SS..Hα-helixtrans-61.2-39.2173.4-172.70000112P69 Q76 M77P69-S73 WeakPolarHBondContact O-CB 3.28Å; P69-S73 PolarHBondContact O-N 3.02Å; S73-Q76 PolarHBondContact O-N 2.79Å; S73-M77 WeakPolarHBondContact O-CE 3.32Å; S73-M77 WeakPolarHBondContact O-CG 3.23Å; S73-M77 PolarHBondContact O-N 3.15Å
74A93Very high90Very high0 Ų065 Ų650%035%0.349CS..Hα-helixtrans-61.3-45.517300000112.6I13 I16 G70 W71 E72 M77 Q78I13-A74 HydrophobicContact CG1-CB 4.16Å; I13-A74 HydrophobicContact CG2-CB 4.28Å; I16-A74 HydrophobicContact CD1-CB 3.95Å; I16-A74 HydrophobicContact CG2-CB 4.34Å; G70-A74 WeakPolarHBondContact O-CB 3.24Å; G70-A74 PolarHBondContact O-N 2.88Å; W71-A74 HydrophobicContact CE3-CB 3.98Å; W71-A74 HydrophobicContact CZ3-CB 4.45Å; W71-A74 WeakPolarHBondContact O-CB 3.26Å; W71-A74 PolarHBondContact O-N 2.91Å; E72-A74 VanDerWaalsContact C-N 3.32Å; E72-A74 PolarHBondContact O-N 2.98Å; A74-M77 PolarHBondContact O-N 2.93Å; A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.17Å
75R93.4Very high91Very high81 Ų8160 Ų6031%0.30631%0.313SS..Hα-helixtrans-63-41.1176-76.7-178.8-78-94.91.8112.3S61 H66 W71 E72 Q78 Q79S61-R75 WeakPolarHBondContact O-CD 3.29Å; S61-R75 PolarHBondContact O-NH1 3.07Å; H66-R75 PolarHBondContact O-NH1 3.35Å; H66-R75 PolarHBondContact O-NH2 3Å; H66-R75 VanDerWaalsContact O-NH2 3.11Å; W71-R75 WeakPolarHBondContact O-CG 3.31Å; W71-R75 PolarHBondContact O-N 2.85Å; W71-R75 PolarHBondContact O-NE 3.49Å; E72-R75 PolarHBondContact O-N 2.98Å; R75-Q78 PolarHBondContact O-N 2.79Å; R75-Q79 WeakPolarHBondContact O-CB 3.49Å; R75-Q79 PolarHBondContact O-N 2.9Å
76Q92.6Very high91.5Very high140 Ų14058.5 Ų58.565%0.65431%0.306SS*.Hα-helixtrans-62.4-45.7173.6-71.5179.47.300111.9E72 S73 Q78 Q79 K80E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.16Å; S73-Q76 PolarHBondContact O-N 2.79Å; Q76-Q78 VanDerWaalsContact C-N 3.35Å; Q76-Q78 PolarHBondContact O-N 2.92Å; Q76-Q79 PolarHBondContact O-N 3Å; Q76-K80 PolarHBondContact O-N 3.02Å
77M94.8Very high91.7Very high21 Ų2162.9 Ų62.910%0.10333%0.33CS..Hα-helixtrans-58.1-45.5174.7-80.2-174.1-83.700111.6I16 R17 Y20 S73 A74 K80 M81I16-M77 HydrophobicContact CG2-CB 4.11Å; R17-M77 HydrophobicContact CB-CE 4.27Å; R17-M77 HydrophobicContact CB-SD 4.27Å; R17-M77 HydrophobicContact CG-CE 4.41Å; R17-M77 HydrophobicContact CG-SD 4.18Å; Y20-M77 HydrophobicContact CD1-CG 4.34Å; Y20-M77 HydrophobicContact CD1-SD 4.21Å; Y20-M77 HydrophobicContact CD2-CB 3.56Å; Y20-M77 HydrophobicContact CD2-CG 3.59Å; Y20-M77 HydrophobicContact CD2-SD 4.21Å; Y20-M77 HydrophobicContact CE2-CB 3.95Å; Y20-M77 HydrophobicContact CE2-CG 3.81Å; Y20-M77 HydrophobicContact CG-CB 4.18Å; Y20-M77 HydrophobicContact CG-CG 3.87Å; Y20-M77 HydrophobicContact CG-SD 3.87Å; S73-M77 WeakPolarHBondContact O-CE 3.32Å; S73-M77 WeakPolarHBondContact O-CG 3.23Å; S73-M77 PolarHBondContact O-N 3.15Å; A74-M77 PolarHBondContact O-N 2.93Å; M77-K80 PolarHBondContact O-N 3.05Å; M77-M81 HydrophobicContact CB-CE 4.38Å; M77-M81 VanDerWaalsContact O-CG 3.31Å; M77-M81 WeakPolarHBondContact O-CG 3.41Å; M77-M81 PolarHBondContact O-N 2.99Å
78Q95.5Very high92.3Very high8 Ų858.2 Ų58.24%0.03730%0.301CS..Hα-helixtrans-66.1-37.7176.9-73.7-175.9-36.200113.6I16 G56 I59 S61 A74 R75 Q76 M81 K82I16-Q78 HydrophobicContact CD1-CG 4.32Å; I16-Q78 HydrophobicContact CG1-CG 4.44Å; I16-Q78 HydrophobicContact CG2-CG 3.95Å; G56-Q78 WeakPolarHBondContact O-CG 3.31Å; G56-Q78 PolarHBondContact O-NE2 3.17Å; I59-Q78 PolarHBondContact O-NE2 2.87Å; S61-Q78 PolarHBondContact OG-OE1 3.01Å; A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.17Å; R75-Q78 PolarHBondContact O-N 2.79Å; Q76-Q78 VanDerWaalsContact C-N 3.35Å; Q76-Q78 PolarHBondContact O-N 2.92Å; Q78-M81 HydrophobicContact CG-CE 4.38Å; Q78-M81 PolarHBondContact O-N 3.3Å; Q78-K82 WeakPolarHBondContact O-CG 3.33Å; Q78-K82 PolarHBondContact O-N 2.92Å; Q78-K82 VanDerWaalsContact O-N 3.12Å
79Q94.2Very high92.6Very high94 Ų9463.1 Ų63.144%0.43931%0.311SS..Hα-helixtrans-62-49.1175.2176.45430.300110.5R75 Q76 M81 K82 E83R75-Q79 WeakPolarHBondContact O-CB 3.49Å; R75-Q79 PolarHBondContact O-N 2.9Å; Q76-Q79 PolarHBondContact O-N 3Å; Q79-M81 VanDerWaalsContact C-N 3.29Å; Q79-M81 PolarHBondContact O-N 3.23Å; Q79-K82 WeakPolarHBondContact O-CB 3.22Å; Q79-K82 PolarHBondContact O-N 2.96Å; Q79-E83 WeakPolarHBondContact CG-OE1 3.43Å; Q79-E83 PolarHBondContact NE2-OE1 3.1Å; Q79-E83 PolarHBondContact O-N 2.97Å
80K94.7Very high92.7Very high97 Ų9761.5 Ų61.542%0.42230%0.3SS..Hα-helixtrans-61.8-36.6176.3-15974.7-150.6162.20112.3Y20 F24 Q76 M77 K82 E83 T84Y20-K80 HydrophobicContact CE2-CB 4.25Å; F24-K80 HydrophobicContact CZ-CG 4.03Å; Q76-K80 PolarHBondContact O-N 3.02Å; M77-K80 PolarHBondContact O-N 3.05Å; K80-K82 VanDerWaalsContact C-N 3.32Å; K80-K82 PolarHBondContact O-N 3.44Å; K80-E83 WeakPolarHBondContact CD-OE2 3.34Å; K80-E83 WeakPolarHBondContact CE-OE2 3.38Å; K80-E83 IonicContact NZ-OE2 2.64Å; K80-E83 PolarHBondContact NZ-OE2 2.75Å; K80-E83 PolarHBondContact O-N 3.19Å; K80-T84 WeakPolarHBondContact O-CB 3.23Å; K80-T84 PolarHBondContact O-N 3.07Å; K80-T84 PolarHBondContact O-OG1 2.79Å; K80-T84 VanDerWaalsContact O-OG1 3.06Å
81M97.1Very high92.8Very high0 Ų064.8 Ų64.80%030%0.302CS..Hα-helixtrans-61.4-35.3173.4-73.5-168-108.500113.1I16 Y20 L53 I57 M77 Q78 Q79 L85I16-M81 HydrophobicContact CG2-CE 3.89Å; Y20-M81 HydrophobicContact CD2-CE 4.06Å; Y20-M81 HydrophobicContact CD2-CG 4Å; L53-M81 HydrophobicContact CD2-CB 3.74Å; L53-M81 HydrophobicContact CD2-CG 3.69Å; L53-M81 HydrophobicContact CD2-SD 4.4Å; I57-M81 HydrophobicContact CD1-CB 3.96Å; I57-M81 HydrophobicContact CG1-CB 3.74Å; M77-M81 HydrophobicContact CB-CE 4.38Å; M77-M81 VanDerWaalsContact O-CG 3.31Å; M77-M81 WeakPolarHBondContact O-CG 3.41Å; M77-M81 PolarHBondContact O-N 2.99Å; Q78-M81 HydrophobicContact CG-CE 4.38Å; Q78-M81 PolarHBondContact O-N 3.3Å; Q79-M81 VanDerWaalsContact C-N 3.29Å; Q79-M81 PolarHBondContact O-N 3.23Å; M81-L85 VanDerWaalsContact O-CB 3.23Å; M81-L85 WeakPolarHBondContact O-CB 3.39Å; M81-L85 PolarHBondContact O-N 3.16Å
82K95.4Very high92.7Very high99 Ų9964.7 Ų64.743%0.4330%0.303SS..Hα-helixtrans-67.5-46.8177.8-68.8168.4-173.1173.50111.8I57 Q78 Q79 K80 T84 L85 Q86I57-K82 HydrophobicContact CD1-CG 3.93Å; I57-K82 HydrophobicContact CG1-CG 4.04Å; I57-K82 HydrophobicContact CG2-CG 4.22Å; Q78-K82 WeakPolarHBondContact O-CG 3.33Å; Q78-K82 PolarHBondContact O-N 2.92Å; Q78-K82 VanDerWaalsContact O-N 3.12Å; Q79-K82 WeakPolarHBondContact O-CB 3.22Å; Q79-K82 PolarHBondContact O-N 2.96Å; K80-K82 VanDerWaalsContact C-N 3.32Å; K80-K82 PolarHBondContact O-N 3.44Å; K82-T84 PolarHBondContact O-N 2.83Å; K82-L85 WeakPolarHBondContact O-CB 3.49Å; K82-L85 PolarHBondContact O-N 2.87Å; K82-Q86 PolarHBondContact O-N 2.83Å; K82-Q86 VanDerWaalsContact O-N 3.09Å
83E93.1Very high92.6Very high66 Ų6664.3 Ų64.331%0.30830%0.301SS..Hα-helixtrans-58-48.3175.1-65.9160.7-153.400110.7Q79 K80 L85 Q86 N87Q79-E83 WeakPolarHBondContact CG-OE1 3.43Å; Q79-E83 PolarHBondContact NE2-OE1 3.1Å; Q79-E83 PolarHBondContact O-N 2.97Å; K80-E83 WeakPolarHBondContact CD-OE2 3.34Å; K80-E83 WeakPolarHBondContact CE-OE2 3.38Å; K80-E83 IonicContact NZ-OE2 2.64Å; K80-E83 PolarHBondContact NZ-OE2 2.75Å; K80-E83 PolarHBondContact O-N 3.19Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 3.11Å; E83-Q86 PolarHBondContact O-N 2.73Å; E83-N87 PolarHBondContact O-N 2.96Å; E83-N87 VanDerWaalsContact O-N 3.17Å; E83-N87 PolarHBondContact O-OD1 3.04Å
84T93.8Very high92.4Very high16 Ų1664.6 Ų64.610%0.09830%0.298CS..Hα-helixtrans-64.7-35.1176.9-57.10000112.4F24 V27 L53 K80 K82 Q86 N87 V88F24-T84 HydrophobicContact CE1-CG2 4.23Å; F24-T84 HydrophobicContact CZ-CG2 4.26Å; F24-T84 WeakPolarHBondContact CZ-OG1 3.31Å; V27-T84 HydrophobicContact CG1-CG2 4.12Å; V27-T84 HydrophobicContact CG2-CG2 4.1Å; L53-T84 HydrophobicContact CD1-CG2 4.05Å; L53-T84 HydrophobicContact CD2-CG2 4.22Å; K80-T84 WeakPolarHBondContact O-CB 3.23Å; K80-T84 PolarHBondContact O-N 3.07Å; K80-T84 PolarHBondContact O-OG1 2.79Å; K80-T84 VanDerWaalsContact O-OG1 3.06Å; K82-T84 PolarHBondContact O-N 2.83Å; T84-Q86 PolarHBondContact O-N 2.87Å; T84-N87 PolarHBondContact O-N 2.63Å; T84-V88 HydrophobicContact CG2-CG2 3.87Å; T84-V88 VanDerWaalsContact O-CB 3.26Å; T84-V88 WeakPolarHBondContact O-CB 3.3Å; T84-V88 WeakPolarHBondContact O-CG2 3.23Å; T84-V88 PolarHBondContact O-N 2.85Å
85L95.7Very high92Very high15 Ų1565.1 Ų65.18%0.07930%0.301CS..Hα-helixtrans-64.4-38.5176.7177.164.1000112.4I50 L53 L54 I57 M81 K82 E83 R89I50-L85 HydrophobicContact CB-CD1 4.38Å; I50-L85 HydrophobicContact CG1-CD1 4.11Å; I50-L85 HydrophobicContact CG2-CD1 3.93Å; L53-L85 HydrophobicContact CB-CB 4.39Å; L53-L85 HydrophobicContact CB-CD1 4.36Å; L53-L85 HydrophobicContact CD1-CB 4.13Å; L53-L85 HydrophobicContact CD1-CD1 4.36Å; L54-L85 HydrophobicContact CD2-CD1 4.44Å; L54-L85 HydrophobicContact CD2-CD2 3.66Å; L54-L85 HydrophobicContact CG-CD1 4.37Å; L54-L85 HydrophobicContact CG-CD2 4.35Å; I57-L85 HydrophobicContact CD1-CB 4.27Å; I57-L85 HydrophobicContact CD1-CD2 3.74Å; M81-L85 VanDerWaalsContact O-CB 3.23Å; M81-L85 WeakPolarHBondContact O-CB 3.39Å; M81-L85 PolarHBondContact O-N 3.16Å; K82-L85 WeakPolarHBondContact O-CB 3.49Å; K82-L85 PolarHBondContact O-N 2.87Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 3.11Å; L85-R89 HydrophobicContact CD1-CG 4.31Å; L85-R89 WeakPolarHBondContact O-CB 3.17Å; L85-R89 WeakPolarHBondContact O-CD 3.39Å; L85-R89 VanDerWaalsContact O-CG 3.22Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 2.96Å; L85-R89 VanDerWaalsContact O-N 3.09Å
86Q90.2Very high91.5Very high136 Ų13666 Ų6664%0.63631%0.308SS*.Hα-helixtrans-64.3-55174.3-176.5170-10.800110.4K82 E83 T84 V88 R89 T90K82-Q86 PolarHBondContact O-N 2.83Å; K82-Q86 VanDerWaalsContact O-N 3.09Å; E83-Q86 PolarHBondContact O-N 2.73Å; T84-Q86 PolarHBondContact O-N 2.87Å; Q86-V88 VanDerWaalsContact C-N 3.34Å; Q86-V88 PolarHBondContact O-N 2.92Å; Q86-R89 WeakPolarHBondContact O-CB 3.46Å; Q86-R89 PolarHBondContact O-N 2.63Å; Q86-R89 VanDerWaalsContact O-N 3.14Å; Q86-T90 PolarHBondContact O-N 3.28Å; Q86-T90 PolarHBondContact O-OG1 3.09Å
87N88.4Confident90.6Very high110 Ų11063.7 Ų63.759%0.58830%0.296SS*.Hα-helixtrans-59.9-41.7-177.6-63.53.2000112.6E83 T84 T90 R91E83-N87 PolarHBondContact O-N 2.96Å; E83-N87 VanDerWaalsContact O-N 3.17Å; E83-N87 PolarHBondContact O-OD1 3.04Å; T84-N87 PolarHBondContact O-N 2.63Å; N87-T90 PolarHBondContact O-N 3.17Å; N87-R91 PolarHBondContact O-N 3.49Å
88V93.2Very high89Confident7 Ų764 Ų644%0.04230%0.304CS..Hα-helixtrans-72.2-31.1179.5174.60000111.9V27 Y46 I50 T84 Q86 L92V27-V88 HydrophobicContact CG1-CG2 3.82Å; V27-V88 HydrophobicContact CG2-CG2 3.87Å; Y46-V88 HydrophobicContact CD1-CG1 3.7Å; Y46-V88 HydrophobicContact CD1-CG2 4.48Å; Y46-V88 HydrophobicContact CG-CG1 3.95Å; I50-V88 HydrophobicContact CD1-CG1 4.06Å; I50-V88 HydrophobicContact CG1-CG1 3.84Å; T84-V88 HydrophobicContact CG2-CG2 3.87Å; T84-V88 VanDerWaalsContact O-CB 3.26Å; T84-V88 WeakPolarHBondContact O-CB 3.3Å; T84-V88 WeakPolarHBondContact O-CG2 3.23Å; T84-V88 PolarHBondContact O-N 2.85Å; Q86-V88 VanDerWaalsContact C-N 3.34Å; Q86-V88 PolarHBondContact O-N 2.92Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 PolarHBondContact O-N 2.91Å
89R93.2Very high87Confident130 Ų13069.7 Ų69.749%0.49134%0.335SS..Hα-helixtrans-65-51.3170.6-81.4172171.2178.8-3.8111.3I50 L85 Q86 R91 L92 E93I50-R89 HydrophobicContact CD1-CG 4.29Å; L85-R89 HydrophobicContact CD1-CG 4.31Å; L85-R89 WeakPolarHBondContact O-CB 3.17Å; L85-R89 WeakPolarHBondContact O-CD 3.39Å; L85-R89 VanDerWaalsContact O-CG 3.22Å; L85-R89 WeakPolarHBondContact O-CG 3.4Å; L85-R89 PolarHBondContact O-N 2.96Å; L85-R89 VanDerWaalsContact O-N 3.09Å; Q86-R89 WeakPolarHBondContact O-CB 3.46Å; Q86-R89 PolarHBondContact O-N 2.63Å; Q86-R89 VanDerWaalsContact O-N 3.14Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 3.29Å; R89-L92 PolarHBondContact O-N 3.45Å; R89-E93 WeakPolarHBondContact O-CB 3.44Å; R89-E93 PolarHBondContact O-N 2.96Å
90T87.8Confident84.4Confident73 Ų7369 Ų6945%0.44835%0.345SS..Hα-helixtrans-58.6-41.8177.5-56.80000111.5Q86 N87 E93 I94Q86-T90 PolarHBondContact O-N 3.28Å; Q86-T90 PolarHBondContact O-OG1 3.09Å; N87-T90 PolarHBondContact O-N 3.17Å; T90-E93 PolarHBondContact O-N 2.8Å; T90-I94 HydrophobicContact CG2-CD1 4.08Å; T90-I94 WeakPolarHBondContact O-CD1 3.4Å; T90-I94 VanDerWaalsContact O-CG1 3.29Å; T90-I94 WeakPolarHBondContact O-CG1 3.47Å; T90-I94 PolarHBondContact O-N 2.86Å
91R91.3Very high81.9Confident99 Ų9967.2 Ų67.237%0.37434%0.342SS..Hα-helixtrans-67.8-41.1176.2-174.255.4-179.9-171.21.1113D34 Y46 N87 R89 E93 I94 L95D34-R91 VanDerWaalsContact CG-NH2 3.35Å; D34-R91 IonicContact OD1-CZ 3.3Å; D34-R91 IonicContact OD1-NE 3.16Å; D34-R91 IonicContact OD1-NH2 3.58Å; D34-R91 PolarHBondContact OD1-NH2 3.34Å; D34-R91 WeakPolarHBondContact OD2-CG 3.06Å; D34-R91 IonicContact OD2-CZ 3Å; D34-R91 IonicContact OD2-NE 2.79Å; D34-R91 PolarHBondContact OD2-NE 2.95Å; D34-R91 IonicContact OD2-NH2 2.59Å; D34-R91 PolarHBondContact OD2-NH2 3.45Å; Y46-R91 HydrophobicContact CE2-CG 3.89Å; N87-R91 PolarHBondContact O-N 3.49Å; R89-R91 VanDerWaalsContact C-N 3.3Å; R89-R91 PolarHBondContact O-N 3.29Å; R91-E93 VanDerWaalsContact C-N 3.33Å; R91-I94 PolarHBondContact O-N 2.89Å; R91-L95 WeakPolarHBondContact O-CG 3.49Å; R91-L95 PolarHBondContact O-N 3.29Å
92L90.5Very high78.8Confident14 Ų1469.3 Ų69.37%0.07336%0.357CS..Hα-helixtrans-61.8-43.5175.9179.262.1000111.1K43 K47 I50 V88 R89 I94 L95 E96K43-L92 HydrophobicContact CB-CD1 4Å; K43-L92 HydrophobicContact CG-CD1 3.84Å; K47-L92 HydrophobicContact CG-CD1 4.42Å; K47-L92 HydrophobicContact CG-CD2 3.81Å; I50-L92 HydrophobicContact CD1-CD2 3.67Å; V88-L92 WeakPolarHBondContact O-CB 3.47Å; V88-L92 PolarHBondContact O-N 2.91Å; R89-L92 PolarHBondContact O-N 3.45Å; L92-I94 PolarHBondContact O-N 3.32Å; L92-L95 CarbonylContact O-C 3.45Å; L92-L95 PolarHBondContact O-N 3.01Å; L92-L95 VanDerWaalsContact O-N 3.12Å; L92-E96 HydrophobicContact CD1-CG 4.06Å; L92-E96 HydrophobicContact CG-CG 4.34Å; L92-E96 WeakPolarHBondContact O-CB 3.27Å; L92-E96 WeakPolarHBondContact O-CG 3Å; L92-E96 PolarHBondContact O-N 2.89Å
93E87.7Confident76.1Confident93 Ų9370.6 Ų70.644%0.43537%0.368SS..Hα-helixtrans-60.3-44.2176.5179.8172.5-173.300112.3R89 T90 R91 L95 E96 K97R89-E93 WeakPolarHBondContact O-CB 3.44Å; R89-E93 PolarHBondContact O-N 2.96Å; T90-E93 PolarHBondContact O-N 2.8Å; R91-E93 VanDerWaalsContact C-N 3.33Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 2.64Å; E93-E96 PolarHBondContact O-N 2.95Å; E93-K97 HydrophobicContact CG-CD 3.88Å; E93-K97 HydrophobicContact CG-CG 4.36Å; E93-K97 WeakPolarHBondContact O-CB 3.3Å; E93-K97 PolarHBondContact O-N 3.31Å; E93-K97 VanDerWaalsContact OE1-CE 3.27Å; E93-K97 WeakPolarHBondContact OE1-CE 3.15Å; E93-K97 IonicContact OE1-NZ 3.6Å; E93-K97 PolarHBondContact OE1-NZ 3.23Å
94I84.4Confident73.3Confident57 Ų5773.1 Ų73.129%0.29238%0.379SS..Hα-helixtrans-61.6-36.4174-69.2163.8000111.6T90 R91 L92 G98 L99T90-I94 HydrophobicContact CG2-CD1 4.08Å; T90-I94 WeakPolarHBondContact O-CD1 3.4Å; T90-I94 VanDerWaalsContact O-CG1 3.29Å; T90-I94 WeakPolarHBondContact O-CG1 3.47Å; T90-I94 PolarHBondContact O-N 2.86Å; R91-I94 PolarHBondContact O-N 2.89Å; L92-I94 PolarHBondContact O-N 3.32Å; I94-G98 VanDerWaalsContact O-CA 3.29Å; I94-G98 WeakPolarHBondContact O-CA 3.29Å; I94-G98 PolarHBondContact O-N 2.81Å; I94-L99 HydrophobicContact CG2-CD2 4.19Å
95L84.7Confident70.6Confident12 Ų1275.9 Ų75.96%0.06339%0.394CS..Hα-helixtrans-74.7-32.1175.9-71.8-178.9000113.3K39 A42 K43 Y46 R91 L92 E93K39-L95 HydrophobicContact CB-CD2 4.27Å; K39-L95 HydrophobicContact CD-CD2 4.01Å; K39-L95 HydrophobicContact CG-CD2 3.92Å; A42-L95 HydrophobicContact CB-CD1 3.99Å; K43-L95 WeakPolarHBondContact CE-O 3.35Å; K43-L95 HydrophobicContact CG-CB 4.04Å; K43-L95 HydrophobicContact CG-CD1 4.38Å; K43-L95 PolarHBondContact NZ-O 3.46Å; K43-L95 VanDerWaalsContact NZ-O 3.17Å; Y46-L95 HydrophobicContact CD2-CD1 4.01Å; Y46-L95 HydrophobicContact CE2-CD1 3.67Å; R91-L95 WeakPolarHBondContact O-CG 3.49Å; R91-L95 PolarHBondContact O-N 3.29Å; L92-L95 CarbonylContact O-C 3.45Å; L92-L95 PolarHBondContact O-N 3.01Å; L92-L95 VanDerWaalsContact O-N 3.12Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 2.64Å
96E83Confident67.8Low98 Ų9880.4 Ų80.446%0.45842%0.418SS..Hα-helixtrans-81-44.6179.7-72-172.7140.700112.6K43 K47 L92 E93 G98K43-E96 HydrophobicContact CD-CG 4.31Å; K43-E96 HydrophobicContact CG-CG 4.39Å; K47-E96 WeakPolarHBondContact CE-OE1 3.28Å; K47-E96 IonicContact NZ-OE1 2.72Å; K47-E96 PolarHBondContact NZ-OE1 3.4Å; L92-E96 HydrophobicContact CD1-CG 4.06Å; L92-E96 HydrophobicContact CG-CG 4.34Å; L92-E96 WeakPolarHBondContact O-CB 3.27Å; L92-E96 WeakPolarHBondContact O-CG 3Å; L92-E96 PolarHBondContact O-N 2.89Å; E93-E96 PolarHBondContact O-N 2.95Å; E96-G98 VanDerWaalsContact C-N 3.34Å
97K73.7Confident65.3Low92 Ų9280.3 Ų80.340%0.442%0.421SS..Hα-helixtrans-69.9-31.3172.2-70.7179.5170.8173.30112.4E93 T101E93-K97 HydrophobicContact CG-CD 3.88Å; E93-K97 HydrophobicContact CG-CG 4.36Å; E93-K97 WeakPolarHBondContact O-CB 3.3Å; E93-K97 PolarHBondContact O-N 3.31Å; E93-K97 VanDerWaalsContact OE1-CE 3.27Å; E93-K97 WeakPolarHBondContact OE1-CE 3.15Å; E93-K97 IonicContact OE1-NZ 3.6Å; E93-K97 PolarHBondContact OE1-NZ 3.23Å; K97-T101 WeakPolarHBondContact O-CB 3.38Å; K97-T101 PolarHBondContact O-OG1 3.26Å
98G60.8Low62.9Low27 Ų2781.9 Ų81.928%0.27843%0.425SS..Hα-helixtrans74.7153.9-173.100000113.1I94 E96 A100 T101I94-G98 VanDerWaalsContact O-CA 3.29Å; I94-G98 WeakPolarHBondContact O-CA 3.29Å; I94-G98 PolarHBondContact O-N 2.81Å; E96-G98 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 3.24Å; G98-A100 VanDerWaalsContact O-N 3.16Å; G98-T101 PolarHBondContact O-N 3.15Å
99L53.5Low60.1Low129 Ų12989.9 Ų89.968%0.67546%0.462SS*.Hα-helixtrans-62.8-21.8-175.9-71.6167.2000114.3I94I94-L99 HydrophobicContact CG2-CD2 4.19Å
100A41.3Very low57.3Low79 Ų7988.7 Ų88.765%0.65347%0.469SS*.Hα-helixtrans-72.9-37.217800000112.8G98G98-A100 PolarHBondContact O-N 3.24Å; G98-A100 VanDerWaalsContact O-N 3.16Å
101T40.1Very low54.7Low60 Ų6089.8 Ų89.837%0.36848%0.477SS..Hα-helixtrans-87.9-32.7-166.7-31.50000113.1K97 G98 Q104 N105K97-T101 WeakPolarHBondContact O-CB 3.38Å; K97-T101 PolarHBondContact O-OG1 3.26Å; G98-T101 PolarHBondContact O-N 3.15Å; T101-Q104 PolarHBondContact O-N 2.88Å; T101-N105 PolarHBondContact O-N 3.29Å; T101-N105 PolarHBondContact O-ND2 2.92Å
102S33.5Very low51.9Low44 Ų4493.1 Ų93.131%0.30849%0.494SS..Hα-helixtrans-64.2-47.7178.3-153.20000111.1Q104 N105 D106S102-Q104 PolarHBondContact O-N 3.12Å; S102-Q104 VanDerWaalsContact O-N 3.12Å; S102-N105 PolarHBondContact O-N 3.15Å; S102-N105 VanDerWaalsContact O-N 3.15Å; S102-D106 PolarHBondContact O-N 3.47Å
103L37.7Very low49Very low126 Ų12698.9 Ų98.966%0.6652%0.524SS*.Hα-helixtrans-63.7-19.6-179.8-14778.9000113.3L107L103-L107 WeakPolarHBondContact O-CD1 3.48Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å
104Q35.7Very low46.2Very low118 Ų118104.4 Ų104.455%0.55154%0.543SS*.Hα-helixtrans-89.2-26.6179.7-163.7166.623.700112.7T101 S102 Q108T101-Q104 PolarHBondContact O-N 2.88Å; S102-Q104 PolarHBondContact O-N 3.12Å; S102-Q104 VanDerWaalsContact O-N 3.12Å; Q104-Q108 WeakPolarHBondContact O-CG 3.43Å
105N35.4Very low43.8Very low75 Ų75106.7 Ų106.740%0.40156%0.561SS.*Hα-helixtrans-81.9-44.9176.8-64.7-17.4000111.5T101 S102 L107 Q108 E109T101-N105 PolarHBondContact O-N 3.29Å; T101-N105 PolarHBondContact O-ND2 2.92Å; S102-N105 PolarHBondContact O-N 3.15Å; S102-N105 VanDerWaalsContact O-N 3.15Å; N105-L107 PolarHBondContact O-N 2.88Å; N105-L107 VanDerWaalsContact O-N 3.12Å; N105-Q108 PolarHBondContact O-N 3.03Å; N105-E109 PolarHBondContact O-N 2.96Å
106D37.8Very low41.5Very low109 Ų109113.2 Ų113.258%0.58359%0.592SS**THydrogen-bonded Turntrans-62.6-20.1178-64.7-45.9000112.5S102S102-D106 PolarHBondContact O-N 3.47Å
107L37.6Very low39.1Very low135 Ų135117.5 Ų117.571%0.70761%0.609SS**THydrogen-bonded Turntrans-93.31.1173.6-68.6179000114.4L103 N105L103-L107 WeakPolarHBondContact O-CD1 3.48Å; L103-L107 VanDerWaalsContact O-CG 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.31Å; N105-L107 PolarHBondContact O-N 2.88Å; N105-L107 VanDerWaalsContact O-N 3.12Å
108Q37Very low37.8Very low143 Ų143118.3 Ų118.367%0.66862%0.623SS**THydrogen-bonded Turntrans-110.3-14.5178.9-78.1-176.31.300114.5Q104 N105Q104-Q108 WeakPolarHBondContact O-CG 3.43Å; N105-Q108 PolarHBondContact O-N 3.03Å
109E35.7Very low36.8Very low175 Ų175122.6 Ų122.682%0.81865%0.646SS**SBendtrans-95.11.2178.2-65.7-164.213800114.6N105 P111N105-E109 PolarHBondContact O-N 2.96Å; E109-P111 WeakPolarHBondContact O-CD 3.36Å
110V33.2Very low35.9Very low105 Ų105126.3 Ų126.364%0.63666%0.657SS**SBendtrans-77.2121.6175.1-176.60000110.7
111P33.5Very low35.8Very low95 Ų95130.1 Ų130.162%0.61767%0.667SS**  trans-62.5140.1177.1-23.234.8000112.7E109 L113E109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-L113 PolarHBondContact O-N 3.15Å
112K32.5Very low35.7Very low169 Ų169135.3 Ų135.374%0.73569%0.689SS**  trans-64.187.7174.9-81.8-171.3165.8-171.10111.6Y114 E116K112-Y114 VanDerWaalsContact C-N 3.28Å; K112-Y114 PolarHBondContact O-N 3.47Å; K112-E116 IonicContact NZ-OE1 2.77Å; K112-E116 IonicContact NZ-OE2 2.98Å; K112-E116 PolarHBondContact NZ-OE2 3.4Å
113L29.2Very low35.4Very low135 Ų135139 Ų13971%0.70771%0.713SS**  trans-87.736.6179.8-82.6165.8000114.4P111P111-L113 PolarHBondContact O-N 3.15Å
114Y29.3Very low35.3Very low209 Ų209142 Ų14282%0.8272%0.724SS**SBendtrans-142.9139.5166.7-86-80.2000111K112 E116K112-Y114 VanDerWaalsContact C-N 3.28Å; K112-Y114 PolarHBondContact O-N 3.47Å; Y114-E116 PolarHBondContact O-N 2.82Å
115P34.1Very low35.1Very low105 Ų105145.3 Ų145.368%0.68274%0.736SS**  trans-67.9122.3174.6-15.329.2000111.3F117P115-F117 PolarHBondContact O-N 2.86Å
116E36.2Very low34.8Very low150 Ų150148.2 Ų148.270%0.70175%0.751SS**  trans-82.297.5178.4-164.1162.7-172.100109.2K112 Y114K112-E116 IonicContact NZ-OE1 2.77Å; K112-E116 IonicContact NZ-OE2 2.98Å; K112-E116 PolarHBondContact NZ-OE2 3.4Å; Y114-E116 PolarHBondContact O-N 2.82Å
117F33.2Very low34.8Very low188 Ų188149.1 Ų149.183%0.82576%0.763SS**PPolyproline II helixtrans-62128.6-178.7-76.4-90.1000111.1P115P115-F117 PolarHBondContact O-N 2.86Å
118P46.7Very low34.6Very low108 Ų108150.7 Ų150.770%0.70177%0.767SS**PPolyproline II helixtrans-67.5140.617927.3-34.2000111.1K120P118-K120 PolarHBondContact O-N 3.26Å
119P39Very low34.4Very low117 Ų117149.7 Ų149.776%0.7677%0.773SS**PPolyproline II helixtrans-57.9136.7173.8-24.434.4000112.1D121P119-D121 VanDerWaalsContact C-N 3.34Å; P119-D121 PolarHBondContact O-N 2.95Å
120K34.2Very low34.5Very low207 Ų207150.9 Ų150.990%0.978%0.778SS**  trans-77.184.3170.3-77.7-177.8175.8174.60110.1P118P118-K120 PolarHBondContact O-N 3.26Å
121D40.3Very low34.3Very low160 Ų160149.8 Ų149.886%0.85678%0.776SS**  trans-67.6150.3170.4-108.7-43.4000112.3P119P119-D121 VanDerWaalsContact C-N 3.34Å; P119-D121 PolarHBondContact O-N 2.95Å
122M37.3Very low34.4Very low169 Ų169154.6 Ų154.683%0.83379%0.787SS**  trans-97.2109.9-163.7-67.2-179.164.900113.9
123C27.1Very low34.4Very low122 Ų122151.4 Ų151.482%0.82479%0.786SS**  trans40.395.5140.9-178.60000118.6
124E37Very low34.8Very low187 Ų187150.4 Ų150.487%0.87479%0.79SS**  trans-121.8102.9153.2-78.2-140.2102.500113.3
125K31.4Very low35Very low188 Ų188145.2 Ų145.282%0.81779%0.79SS**  trans67.9116.3135.9-140.9167.1-170.6170.80121.4
126L29.6Very low35.2Very low136 Ų136146 Ų14671%0.71280%0.796SS**  trans-58.6160.3170.6-136.167.4000114.3E128L126-E128 HydrophobicContact CD2-CG 3.59Å; L126-E128 HydrophobicContact CG-CG 4.46Å
127P36.8Very low35.3Very low128 Ų128148.4 Ų148.483%0.83181%0.807SS**  -131.2168.796.620.9-2.1000115.3
128E34.2Very low35.5Very low168 Ų168148.7 Ų148.779%0.78581%0.81SS**  trans-82.6156.9-159.9-67.2174.4113.900116.3L126L126-E128 HydrophobicContact CD2-CG 3.59Å; L126-E128 HydrophobicContact CG-CG 4.46Å
129P32.1Very low34.9Very low122 Ų122147.5 Ų147.579%0.79281%0.81SS**  trans-88.5160.717836.7-36.2000113.6
130Q37.1Very low34.8Very low200 Ų200150.6 Ų150.694%0.93581%0.814SS**  trans-125.1133.1158-71.5-169.5-15.700110.1
131S30.4Very low35.3Very low83 Ų83146.4 Ų146.458%0.5881%0.806SS**  trans-83.1154178.3520000112
132F35.7Very low35.3Very low195 Ų195146.3 Ų146.386%0.85581%0.805SS**  176.7147106.2-89.1-62.3000113.2
133S31.6Very low35.2Very low103 Ų103141.3 Ų141.372%0.7280%0.797SS**  trans-41.8148.1-178.1-42.90000118.7
134S36.8Very low35.8Very low113 Ų113143.1 Ų143.179%0.7980%0.799SS**  166.4134.3101.1-69.60000115.5
135A35.4Very low35.8Very low100 Ų100139.7 Ų139.783%0.82679%0.79SS**  trans41.2131.9146.600000123.2
136P37Very low36.2Very low123 Ų123135.4 Ų135.480%0.79978%0.784SS**  trans-96.8165.2171.439.2-34.9000114.2
137Q38.2Very low36.8Very low200 Ų200135.2 Ų135.294%0.93579%0.789SS**  trans-138.8167.8164-75.5-161.9-28.400112.8
138H37Very low37.1Very low193 Ų193135.1 Ų135.189%0.89479%0.788SS**  trans-102.8176.8-157.6-99.3-115.4000115.4
139A35.9Very low37.4Very low84 Ų84133.3 Ų133.369%0.69479%0.794SS**  trans80.8147.2152.600000116.4
140E36.5Very low37.6Very low181 Ų181132.3 Ų132.385%0.84680%0.796SS**  cis-164-166.2-3.5-127.9171.6-175.100111.4
141V43.4Very low37.6Very low120 Ų120126.6 Ų126.673%0.72779%0.791SS**  trans114.3103.5151.1-1760000118.1
142N40.7Very low38Very low158 Ų158127.2 Ų127.285%0.84580%0.802SS**  trans46.3141140.4-56.7-13.9000123.2
143G36Very low38.1Very low64 Ų64124.9 Ų124.966%0.6680%0.803SS**  trans-122.6-171.3155.100000111.6
144N39.5Very low38.4Very low160 Ų160124.8 Ų124.886%0.85681%0.808SS**  trans-167.3132.3159.9-102.9-28000113.9
145T35.9Very low38.4Very low114 Ų114124 Ų12470%0.69981%0.809SS**  trans9.9136.8139.7-33.90000117.5
146S40.7Very low38.6Very low99 Ų99125.3 Ų125.369%0.69281%0.809SS**  -171.7126.372.4-56.40000117.3
147T42.1Very low38.4Very low132 Ų132124.3 Ų124.381%0.8181%0.811SS**  trans52.8152139.452.60000124.6
148P43Very low38.5Very low125 Ų125120.3 Ų120.381%0.81281%0.805SS**  trans-120.7176.3-168.444.3-31.8000116.4
149S40.1Very low38.2Very low130 Ų130119.9 Ų119.991%0.90981%0.808SS**  trans-157.2168.2151.5-1640000111.5
150A36.7Very low38.2Very low101 Ų101121 Ų12184%0.83581%0.811SS**  trans-110.8158.7-167.300000114.8
151G36.9Very low38Very low81 Ų81120.4 Ų120.484%0.83581%0.813SS**  trans-169.8128.3174.300000112.8
152A39.9Very low37.5Very low96 Ų96120 Ų12079%0.79381%0.812SS**  trans-90.1144.9-161.100000116.8
153V36.4Very low36.9Very low146 Ų146118.4 Ų118.489%0.88581%0.814SS**  trans56.5115.1138.4179.50000120.5
154A37.7Very low36.9Very low101 Ų101123.4 Ų123.484%0.83582%0.82SS**  trans-157.9159138.400000111.6
155A37.9Very low36.5Very low97 Ų97120.8 Ų120.880%0.80281%0.814SS**  trans-92178.3-177.900000111.6
156P39.9Very low36.1Very low126 Ų126121.4 Ų121.482%0.81882%0.822SS**  cis-132.9-177.514.542.7-24.3000116.5
157A33.1Very low36Very low102 Ų102122.6 Ų122.684%0.84383%0.827SS**  trans-90.3146.4-173.400000114.6
158S38.3Very low35.8Very low117 Ų117120.8 Ų120.882%0.81883%0.826SS**  trans-136.8145.7167-64.90000109.1
159L31.2Very low35.4Very low183 Ų183124.6 Ų124.696%0.95883%0.833SS**  trans-73.6135.4-172.4-68.9157.9000112.9
160S35.9Very low35.4Very low109 Ų109122.2 Ų122.276%0.76282%0.821SS**  trans-151141.216150.70000110.5
161L31.7Very low35.3Very low167 Ų167123.1 Ų123.187%0.87482%0.819SS**PPolyproline II helixtrans-83.4135.3-179.2-83.864.6000110.6
162P34.1Very low35.5Very low111 Ų111123.2 Ų123.272%0.72180%0.804SS**PPolyproline II helixtrans-92.3130.8165.433.8-29.4000111.5
163S28.7Very low35.3Very low125 Ų125122.6 Ų122.687%0.87480%0.799SS**PPolyproline II helixtrans-77.5129.6172.8-52.80000111.6
164Q35.1Very low35.2Very low170 Ų170125.5 Ų125.579%0.79480%0.796SS**  trans-139.3110.6167.5-73.8-172.60.500107.1
165S31.8Very low35.5Very low104 Ų104125.9 Ų125.973%0.72779%0.788SS**  73.8116.272.573.40000112.6
166C26.1Very low35.6Very low128 Ų128126.2 Ų126.287%0.86578%0.782SS**PPolyproline II helixtrans-59.2131.2-172.6-53.90000112.9
167P38.5Very low35.5Very low124 Ų124127.1 Ų127.181%0.80578%0.775SS**PPolyproline II helixtrans-73147.5163.732.2-32.8000110
168A38.7Very low36.1Very low94 Ų94125.4 Ų125.478%0.77776%0.761SS**PPolyproline II helixtrans-75.6160.1175.400000111.8A170A168-A170 PolarHBondContact O-N 3Å
169E34.6Very low36.4Very low204 Ų204123.2 Ų123.295%0.95375%0.75SS**  trans-55.2115.8178.9-169.1176.3157.800112
170A40.6Very low36.8Very low81 Ų81124 Ų12467%0.66975%0.748SS**  trans-119.3144.2171.500000108.6A168A168-A170 PolarHBondContact O-N 3Å
171P35.1Very low37.2Very low120 Ų120121.5 Ų121.578%0.77974%0.74SS**PPolyproline II helixtrans-61.4150.7177.626.9-34.8000111.1A173P171-A173 PolarHBondContact O-N 3.49Å
172P39.4Very low37.7Very low82 Ų82115.4 Ų115.453%0.53271%0.707SS.*PPolyproline II helixtrans-57137.2-175.822.7-33.6000111.7Y174P172-Y174 PolarHBondContact O-N 2.98Å
173A36.7Very low37.9Very low83 Ų83119.9 Ų119.969%0.68671%0.711SS**PPolyproline II helixtrans-73.7119-176.900000110.7P171 T175P171-A173 PolarHBondContact O-N 3.49Å; A173-T175 PolarHBondContact O-N 3.45Å
174Y33.8Very low38.4Very low208 Ų208117.3 Ų117.382%0.81669%0.69SS**  trans-56.7112.2176.5-70.9-86.7000111.5P172P172-Y174 PolarHBondContact O-N 2.98Å
175T44.9Very low38.3Very low108 Ų108113.9 Ų113.966%0.66368%0.681SS**  trans-87.2119.8171.943.80000109.7A173 Q177A173-T175 PolarHBondContact O-N 3.45Å; T175-Q177 PolarHBondContact O-N 2.93Å
176P40.4Very low38.5Very low105 Ų105111.9 Ų111.968%0.68267%0.667SS**SBendtrans-80.527.6-17634.7-37.9000113.1
177Q37.7Very low38.8Very low145 Ų145113.2 Ų113.268%0.67866%0.655SS**SBendtrans-134.3113.6-170.7-169.875.646.300108.9T175T175-Q177 PolarHBondContact O-N 2.93Å
178A44.7Very low38.5Very low65 Ų65110.5 Ų110.554%0.53765%0.649SS.*PPolyproline II helixtrans-63.5143.2174.900000111.2
179A45.7Very low38.4Very low72 Ų72109.6 Ų109.660%0.59563%0.634SS**PPolyproline II helixtrans-64.6147.1173.100000111.2G181 H182A179-G181 PolarHBondContact O-N 3.39Å; A179-G181 VanDerWaalsContact O-N 3.15Å; A179-H182 PolarHBondContact O-N 3.45Å
180E39.3Very low38.8Very low198 Ų198108.3 Ų108.393%0.92563%0.634SS**THydrogen-bonded Turntrans-58.5119.8-177.3-65.7-167.3142.400111.3
181G44.1Very low38.9Very low57 Ų57109.7 Ų109.759%0.58864%0.639SS**THydrogen-bonded Turntrans118.7-21.3-178.100000114.9A179A179-G181 PolarHBondContact O-N 3.39Å; A179-G181 VanDerWaalsContact O-N 3.15Å
182H42.7Very low39.1Very low40 Ų40106 Ų10619%0.18562%0.622CS.*  trans-103.494.7-170.5-61.3-108.5000111.7A179 T184 F232A179-H182 PolarHBondContact O-N 3.45Å; H182-T184 PolarHBondContact O-N 2.87Å; H182-F232 AromaticContact CE1-CD1 3.51Å; H182-F232 AromaticContact CE1-CE1 3.34Å; H182-F232 WeakPolarHBondContact CE1-CE1 3.32Å; H182-F232 AromaticContact CE1-CZ 3.77Å; H182-F232 AromaticContact ND1-CD1 3.69Å; H182-F232 AromaticContact ND1-CD2 3.85Å; H182-F232 AromaticContact ND1-CE1 3.33Å; H182-F232 VanDerWaalsContact ND1-CE1 3.33Å; H182-F232 WeakPolarHBondContact ND1-CE1 3.32Å; H182-F232 AromaticContact ND1-CE2 3.49Å; H182-F232 WeakPolarHBondContact ND1-CE2 3.37Å; H182-F232 AromaticContact ND1-CG 3.95Å; H182-F232 AromaticContact ND1-CZ 3.23Å; H182-F232 WeakPolarHBondContact ND1-CZ 3.4Å
183Y36.8Very low39.1Very low204 Ų204108.8 Ų108.880%0.863%0.628SS**  trans-88.945.3-173.8-68.7-79.6000115.2
184T39.9Very low39.1Very low71 Ų71114.1 Ų114.144%0.43664%0.636SS.*  trans-100.4106.9167.844.20000110.1H182H182-T184 PolarHBondContact O-N 2.87Å
185V33.7Very low39.3Very low98 Ų98106.1 Ų106.159%0.59461%0.611SS**  trans-102.8118.3-169-179.80000112.1
186S34.9Very low39.3Very low63 Ų63106.5 Ų106.544%0.44162%0.618SS.*  trans-156.5121162.151.20000111.6Y244S186-Y244 VanDerWaalsContact CB-CZ 3.45Å; S186-Y244 VanDerWaalsContact CB-OH 3.28Å; S186-Y244 WeakPolarHBondContact CB-OH 3.22Å
187Y32.8Very low39.2Very low155 Ų155104.5 Ų104.561%0.60860%0.603SS**  trans-98.2112.1161.7-73.8-89.1000107.9T189Y187-T189 PolarHBondContact O-N 2.92Å
188G32.3Very low39.3Very low67 Ų67100.1 Ų100.169%0.69160%0.597SS**  trans-78.6115167.600000109.7
189T37.2Very low39.2Very low75 Ų75103.6 Ų103.646%0.4660%0.602SS.*  trans-99.4152.8168.649.80000110.6Y187 S191 G192Y187-T189 PolarHBondContact O-N 2.92Å; T189-S191 PolarHBondContact O-N 3.2Å; T189-S191 PolarHBondContact OG1-OG 3.06Å; T189-G192 PolarHBondContact O-N 3.39Å
190D41.2Very low39Very low178 Ų178106.9 Ų106.995%0.95261%0.605SS**THydrogen-bonded Turntrans-63.216.3179.234.4-64.8000115.3
191S44.5Very low39Very low110 Ų110101.7 Ų101.777%0.76958%0.58SS**THydrogen-bonded Turntrans-1261.9176.835.10000114T189T189-S191 PolarHBondContact O-N 3.2Å; T189-S191 PolarHBondContact OG1-OG 3.06Å
192G38.7Very low39.1Very low41 Ų41103.1 Ų103.142%0.42357%0.568SS.*  trans105.7159.3178.200000114.1T189 F194T189-G192 PolarHBondContact O-N 3.39Å; G192-F194 PolarHBondContact O-N 3.4Å
193E38.9Very low39.2Very low142 Ų142108.2 Ų108.266%0.66459%0.586SS**  trans-71.493.7-174.9-68.7177.5-163.400112.6S195 Y244E193-S195 PolarHBondContact O-N 3.03Å; E193-Y244 WeakPolarHBondContact OE2-CE1 3.47Å; E193-Y244 PolarHBondContact OE2-OH 2.9Å
194F36.4Very low39.5Very low194 Ų194104.1 Ų104.185%0.85158%0.578SS**  trans-87.994.4163.6-108.5-84.3000110.1G192 S196G192-F194 PolarHBondContact O-N 3.4Å; F194-S196 PolarHBondContact O-N 3.39Å
195S39.4Very low39.9Very low41 Ų41105.6 Ų105.629%0.28758%0.58SS.*  trans-65.3124.3168.7-163.70000110.1E193 V197 Y202E193-S195 PolarHBondContact O-N 3.03Å; S195-V197 WeakPolarHBondContact CB-O 3.34Å; S195-V197 PolarHBondContact O-N 2.86Å; S195-V197 PolarHBondContact OG-O 3.01Å; S195-Y202 VanDerWaalsContact CB-OH 3.24Å; S195-Y202 WeakPolarHBondContact CB-OH 3.43Å; S195-Y202 WeakPolarHBondContact OG-CE2 3.49Å; S195-Y202 PolarHBondContact OG-OH 3.3Å
196S43.6Very low40.7Very low116 Ų116103.2 Ų103.281%0.81157%0.567SS**SBendtrans-751.6174.849.50000113.1F194F194-S196 PolarHBondContact O-N 3.39Å
197V39.2Very low41.8Very low62 Ų62107.6 Ų107.638%0.37658%0.581SS.*SBendtrans-120.8125.7170.3-139.20000108.5S195 F201S195-V197 WeakPolarHBondContact CB-O 3.34Å; S195-V197 PolarHBondContact O-N 2.86Å; S195-V197 PolarHBondContact OG-O 3.01Å; V197-F201 HydrophobicContact CB-CB 3.81Å; V197-F201 HydrophobicContact CB-CD1 4.08Å; V197-F201 HydrophobicContact CB-CD2 4.23Å; V197-F201 HydrophobicContact CB-CG 3.79Å; V197-F201 HydrophobicContact CG1-CB 3.66Å; V197-F201 HydrophobicContact CG1-CD1 4.44Å; V197-F201 HydrophobicContact CG1-CD2 3.7Å; V197-F201 HydrophobicContact CG1-CE2 4.47Å; V197-F201 HydrophobicContact CG1-CG 3.69Å; V197-F201 HydrophobicContact CG2-CD1 4.28Å; V197-F201 HydrophobicContact CG2-CE1 4.49Å; V197-F201 HydrophobicContact CG2-CG 4.31Å
198G40.1Very low43.4Very low53 Ų53101 Ų10155%0.54656%0.557SS.*  trans-66.8170.2-174.300000114E200 F201G198-E200 PolarHBondContact O-N 3.42Å; G198-F201 VanDerWaalsContact O-CB 3.26Å; G198-F201 WeakPolarHBondContact O-CB 3.48Å; G198-F201 PolarHBondContact O-N 3.2Å
199E42.1Very low45.1Very low138 Ų138100.7 Ų100.765%0.64554%0.543SS*.Hα-helixtrans-48.7-30.1-175.3-67.7-170.5177.900115.5F201 Y202 R203E199-F201 PolarHBondContact O-N 3.39Å; E199-Y202 PolarHBondContact O-N 3.42Å; E199-R203 PolarHBondContact O-N 2.59Å; E199-R203 IonicContact OE2-CZ 2.91Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 3.27Å
200E42.2Very low46.6Very low142 Ų142100.9 Ų100.966%0.66455%0.545SS*.Hα-helixtrans-59.2-28.6176.6-62.2-169.2147.200112.7G198 R203 N204G198-E200 PolarHBondContact O-N 3.42Å; E200-R203 PolarHBondContact O-N 3.39Å; E200-N204 VanDerWaalsContact O-CB 3.24Å; E200-N204 WeakPolarHBondContact O-CB 3.38Å; E200-N204 PolarHBondContact O-N 2.59Å; E200-N204 PolarHBondContact O-ND2 2.9Å
201F38.8Very low47.7Very low89 Ų8994.8 Ų94.839%0.3951%0.512SS..Hα-helixtrans-61.7-56173.3-174.7-106.8000110.7V197 G198 E199 R203 N204 H205V197-F201 HydrophobicContact CB-CB 3.81Å; V197-F201 HydrophobicContact CB-CD1 4.08Å; V197-F201 HydrophobicContact CB-CD2 4.23Å; V197-F201 HydrophobicContact CB-CG 3.79Å; V197-F201 HydrophobicContact CG1-CB 3.66Å; V197-F201 HydrophobicContact CG1-CD1 4.44Å; V197-F201 HydrophobicContact CG1-CD2 3.7Å; V197-F201 HydrophobicContact CG1-CE2 4.47Å; V197-F201 HydrophobicContact CG1-CG 3.69Å; V197-F201 HydrophobicContact CG2-CD1 4.28Å; V197-F201 HydrophobicContact CG2-CE1 4.49Å; V197-F201 HydrophobicContact CG2-CG 4.31Å; G198-F201 VanDerWaalsContact O-CB 3.26Å; G198-F201 WeakPolarHBondContact O-CB 3.48Å; G198-F201 PolarHBondContact O-N 3.2Å; E199-F201 PolarHBondContact O-N 3.39Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.9Å; F201-N204 PolarHBondContact O-N 3.3Å; F201-N204 VanDerWaalsContact O-N 3.15Å; F201-H205 AromaticContact CD2-CD2 3.49Å; F201-H205 VanDerWaalsContact CD2-CD2 3.49Å; F201-H205 WeakPolarHBondContact CD2-CD2 3.32Å; F201-H205 AromaticContact CD2-NE2 3.61Å; F201-H205 AromaticContact CE2-CD2 3.43Å; F201-H205 VanDerWaalsContact CE2-CD2 3.43Å; F201-H205 WeakPolarHBondContact CE2-CD2 3.45Å; F201-H205 AromaticContact CE2-NE2 3.31Å; F201-H205 VanDerWaalsContact CE2-NE2 3.31Å; F201-H205 WeakPolarHBondContact CE2-NE2 3.38Å; F201-H205 AromaticContact CG-CD2 3.95Å; F201-H205 AromaticContact CZ-CD2 3.84Å; F201-H205 PolarHBondContact O-CD2 3.46Å; F201-H205 PolarHBondContact O-N 3.13Å
202Y46.3Very low48.4Very low86 Ų8697.6 Ų97.634%0.33751%0.513SS..Hα-helixtrans-57.9-41.4177-63.6-89.2000111.8S195 E199 N204 H205 S206 Y244S195-Y202 VanDerWaalsContact CB-OH 3.24Å; S195-Y202 WeakPolarHBondContact CB-OH 3.43Å; S195-Y202 WeakPolarHBondContact OG-CE2 3.49Å; S195-Y202 PolarHBondContact OG-OH 3.3Å; E199-Y202 PolarHBondContact O-N 3.42Å; Y202-N204 PolarHBondContact O-N 3Å; Y202-H205 PolarHBondContact O-N 3.36Å; Y202-S206 VanDerWaalsContact O-CB 3.3Å; Y202-S206 WeakPolarHBondContact O-CB 3.46Å; Y202-S206 PolarHBondContact O-N 3.42Å; Y202-S206 VanDerWaalsContact O-N 3.12Å; Y202-S206 PolarHBondContact O-OG 3.03Å; Y202-S206 VanDerWaalsContact O-OG 3.07Å; Y202-Y244 HydrophobicContact CE1-CD2 4.15Å; Y202-Y244 HydrophobicContact CE1-CE2 4.17Å; Y202-Y244 WeakPolarHBondContact OH-CE2 3.21Å
203R44.8Very low49.3Very low147 Ų14799.4 Ų99.456%0.55552%0.516SS*.Hα-helixtrans-68-30.6178.8-165.5174.2-65.1118.16.9113.9E199 E200 F201E199-R203 PolarHBondContact O-N 2.59Å; E199-R203 IonicContact OE2-CZ 2.91Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 3.27Å; E200-R203 PolarHBondContact O-N 3.39Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.9Å
204N42.4Very low50.2Low119 Ų11994.4 Ų94.464%0.63649%0.494SS*.Hα-helixtrans-87.5-21.1179.3-71.7-31.2000113.4E200 F201 Y202E200-N204 VanDerWaalsContact O-CB 3.24Å; E200-N204 WeakPolarHBondContact O-CB 3.38Å; E200-N204 PolarHBondContact O-N 2.59Å; E200-N204 PolarHBondContact O-ND2 2.9Å; F201-N204 PolarHBondContact O-N 3.3Å; F201-N204 VanDerWaalsContact O-N 3.15Å; Y202-N204 PolarHBondContact O-N 3Å
205H48.1Very low50.9Low102 Ų10287.1 Ų87.147%0.47247%0.474SS..Hα-helixtrans-100.1-8.1179.1-70.6-71.8000114.1F201 Y202 Q207 Y247F201-H205 AromaticContact CD2-CD2 3.49Å; F201-H205 VanDerWaalsContact CD2-CD2 3.49Å; F201-H205 WeakPolarHBondContact CD2-CD2 3.32Å; F201-H205 AromaticContact CD2-NE2 3.61Å; F201-H205 AromaticContact CE2-CD2 3.43Å; F201-H205 VanDerWaalsContact CE2-CD2 3.43Å; F201-H205 WeakPolarHBondContact CE2-CD2 3.45Å; F201-H205 AromaticContact CE2-NE2 3.31Å; F201-H205 VanDerWaalsContact CE2-NE2 3.31Å; F201-H205 WeakPolarHBondContact CE2-NE2 3.38Å; F201-H205 AromaticContact CG-CD2 3.95Å; F201-H205 AromaticContact CZ-CD2 3.84Å; F201-H205 PolarHBondContact O-CD2 3.46Å; F201-H205 PolarHBondContact O-N 3.13Å; Y202-H205 PolarHBondContact O-N 3.36Å; H205-Q207 VanDerWaalsContact C-N 3.35Å; H205-Y247 VanDerWaalsContact O-CD1 3.31Å; H205-Y247 WeakPolarHBondContact O-CD1 3.34Å; H205-Y247 VanDerWaalsContact O-CE1 3.26Å; H205-Y247 WeakPolarHBondContact O-CE1 3.43Å
206S50.2Low51.9Low48 Ų4887.1 Ų87.134%0.33647%0.47SS..SBendtrans-86.15.7177.2620000115.2Y202Y202-S206 VanDerWaalsContact O-CB 3.3Å; Y202-S206 WeakPolarHBondContact O-CB 3.46Å; Y202-S206 PolarHBondContact O-N 3.42Å; Y202-S206 VanDerWaalsContact O-N 3.12Å; Y202-S206 PolarHBondContact O-OG 3.03Å; Y202-S206 VanDerWaalsContact O-OG 3.07Å
207Q59.6Low53.1Low155 Ų15587.6 Ų87.672%0.72446%0.463SS*.SBendtrans-121.4137.5165.3-76.7-166.3-33.100110.1H205H205-Q207 VanDerWaalsContact C-N 3.35Å
208P65.2Low54.8Low17 Ų1785.3 Ų85.311%0.1145%0.451CS..PPolyproline II helixtrans-66.3154.9172.629.6-36.6000111.5L223 Y247 R249P208-L223 HydrophobicContact CG-CD1 3.8Å; P208-L223 HydrophobicContact CG-CD2 3.98Å; P208-Y247 HydrophobicContact CB-CD2 3.98Å; P208-Y247 HydrophobicContact CB-CE2 3.6Å; P208-Y247 HydrophobicContact CG-CD2 4.46Å; P208-R249 VanDerWaalsContact CB-CZ 3.48Å
209P67.4Low56.9Low60 Ų6086.3 Ų86.339%0.3944%0.444SS..PPolyproline II helixtrans-56.3134.1167.3-24.234.1000111.1T213 R249P209-T213 HydrophobicContact CB-CG2 4.39Å; P209-R249 PolarHBondContact O-NH1 3.39Å; P209-R249 PolarHBondContact O-NH2 3.49Å
210P69.5Low59Low78 Ų7882.8 Ų82.851%0.50643%0.427SS..PPolyproline II helixtrans-52143.4179.2-2834.4000112E212 T213P210-E212 PolarHBondContact O-N 3.18Å; P210-E212 VanDerWaalsContact O-N 3.11Å; P210-T213 WeakPolarHBondContact O-CA 3.47Å; P210-T213 WeakPolarHBondContact O-CB 3.46Å; P210-T213 PolarHBondContact O-N 2.91Å; P210-T213 PolarHBondContact O-OG1 3.12Å
211L63.9Low61.3Low50 Ų5078.5 Ų78.526%0.26241%0.409SS..G310 helixtrans-53.5-35.1-175.9-62.9168.6000113.4T213 L214 E220 V251L211-T213 PolarHBondContact O-N 3.48Å; L211-L214 HydrophobicContact CD2-CD1 3.96Å; L211-L214 WeakPolarHBondContact O-CB 3.17Å; L211-L214 WeakPolarHBondContact O-CG 3.29Å; L211-L214 PolarHBondContact O-N 3.47Å; L211-E220 HydrophobicContact CD1-CB 3.78Å; L211-E220 HydrophobicContact CD2-CB 3.99Å; L211-E220 HydrophobicContact CD2-CG 4.44Å; L211-E220 HydrophobicContact CG-CB 4.37Å; L211-V251 HydrophobicContact CD2-CG1 4.04Å; L211-V251 HydrophobicContact CD2-CG2 3.83Å
212E60.3Low63.9Low169 Ų16974.8 Ų74.879%0.7939%0.393SS*.G310 helixtrans-47.3-32.5171.4-57.3165.4157.500112.9P210 L214 G215P210-E212 PolarHBondContact O-N 3.18Å; P210-E212 VanDerWaalsContact O-N 3.11Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.18Å; E212-G215 PolarHBondContact O-N 2.78Å; E212-G215 VanDerWaalsContact O-N 3.15Å
213T57.8Low66.1Low79 Ų7973.8 Ų73.849%0.48539%0.393SS..G310 helixtrans-63.4-36.8177.1-46.10000112.4P209 P210 L211 G215P209-T213 HydrophobicContact CB-CG2 4.39Å; P210-T213 WeakPolarHBondContact O-CA 3.47Å; P210-T213 WeakPolarHBondContact O-CB 3.46Å; P210-T213 PolarHBondContact O-N 2.91Å; P210-T213 PolarHBondContact O-OG1 3.12Å; L211-T213 PolarHBondContact O-N 3.48Å; T213-G215 PolarHBondContact O-N 3.45Å
214L56.1Low68.2Low38 Ų3866.8 Ų66.820%0.19937%0.367CS..G310 helixtrans-64.4-25.7177-53.4171.6000111.3L211 E212 V251 F268 K440L211-L214 HydrophobicContact CD2-CD1 3.96Å; L211-L214 WeakPolarHBondContact O-CB 3.17Å; L211-L214 WeakPolarHBondContact O-CG 3.29Å; L211-L214 PolarHBondContact O-N 3.47Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.18Å; L214-V251 HydrophobicContact CD1-CG1 3.93Å; L214-F268 HydrophobicContact CD1-CE1 4.18Å; L214-F268 HydrophobicContact CD1-CZ 3.83Å; L214-F268 HydrophobicContact CD2-CZ 3.97Å; L214-K440 PolarHBondContact O-NZ 3.34Å
215G52.9Low70.2Confident41 Ų4164.8 Ų64.842%0.42336%0.36SS..  trans6539.3173.500000113.6E212 T213E212-G215 PolarHBondContact O-N 2.78Å; E212-G215 VanDerWaalsContact O-N 3.15Å; T213-G215 PolarHBondContact O-N 3.45Å
216L58.9Low71.8Confident41 Ų4164.4 Ų64.422%0.21536%0.362CS..SBendtrans-144.6152.3179-68.1172.9000108.4A218 F253L216-A218 PolarHBondContact O-N 3.07Å; L216-A218 VanDerWaalsContact O-N 3.16Å; L216-F253 HydrophobicContact CB-CD1 4.09Å; L216-F253 HydrophobicContact CB-CE1 4.37Å; L216-F253 HydrophobicContact CD1-CD1 3.62Å; L216-F253 HydrophobicContact CD1-CE1 3.48Å; L216-F253 VanDerWaalsContact CD1-CE1 3.48Å; L216-F253 HydrophobicContact CD1-CG 4.49Å; L216-F253 HydrophobicContact CD1-CZ 4.23Å
217D68.5Low73.4Confident125 Ų12562.8 Ų62.867%0.66835%0.353SS*.  trans-65.3112.9165.9-62.3-41.3000108.4L254D217-L254 HydrophobicContact CB-CB 4.12Å; D217-L254 PolarHBondContact O-N 2.57Å
218A76.3Confident74.7Confident15 Ų1555.4 Ų55.412%0.12432%0.319CS..EExtended strand (participates in β ladder)trans-153.9135.7-171.100000111.9L216 V251 R252 F253L216-A218 PolarHBondContact O-N 3.07Å; L216-A218 VanDerWaalsContact O-N 3.16Å; A218-V251 HydrophobicContact CB-CG1 3.86Å; A218-R252 CarbonylContact C-O 3.55Å; A218-R252 WeakPolarHBondContact CA-O 3.06Å; A218-R252 WeakPolarHBondContact CB-O 3.2Å; A218-F253 HydrophobicContact CB-CD1 3.93Å; A218-F253 HydrophobicContact CB-CE1 4.42Å
219D83.5Confident75.7Confident74 Ų7457.8 Ų57.840%0.39633%0.328SS..EExtended strand (participates in β ladder)trans-99.2133.8176.5-69.8-21.1000110.3L221 V251 R252 L254D219-L221 HydrophobicContact CB-CD2 4Å; D219-V251 CarbonylContact O-C 3.54Å; D219-V251 WeakPolarHBondContact O-CA 3.38Å; D219-R252 PolarHBondContact N-O 2.96Å; D219-R252 PolarHBondContact O-N 2.94Å; D219-L254 WeakPolarHBondContact OD2-CD2 3.42Å
220E87.2Confident76.6Confident63 Ų6355.4 Ų55.429%0.29431%0.312SS..EExtended strand (participates in β ladder)trans-85.5111.9166.7-164161.980.800108L211 L223 R249 V251L211-E220 HydrophobicContact CD1-CB 3.78Å; L211-E220 HydrophobicContact CD2-CB 3.99Å; L211-E220 HydrophobicContact CD2-CG 4.44Å; L211-E220 HydrophobicContact CG-CB 4.37Å; E220-L223 HydrophobicContact CG-CB 4.35Å; E220-R249 HydrophobicContact CG-CB 4.3Å; E220-R249 WeakPolarHBondContact OE2-CD 3.31Å; E220-R249 IonicContact OE2-CZ 2.62Å; E220-R249 IonicContact OE2-NE 3.59Å; E220-R249 IonicContact OE2-NH1 2.97Å; E220-R249 PolarHBondContact OE2-NH1 2.93Å; E220-V251 HydrophobicContact CG-CG2 4.26Å
221L89.9Confident77.3Confident52 Ų5253.4 Ų53.427%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-84.6-27.9-173.1-56.4-172.7000112.5D219 I250 R252 L326 M330D219-L221 HydrophobicContact CB-CD2 4Å; L221-I250 HydrophobicContact CB-CG2 4.41Å; L221-I250 HydrophobicContact CD1-CG2 4.27Å; L221-I250 PolarHBondContact N-O 2.91Å; L221-R252 HydrophobicContact CD1-CB 3.83Å; L221-R252 HydrophobicContact CD2-CB 4.26Å; L221-R252 HydrophobicContact CG-CB 4.03Å; L221-L326 HydrophobicContact CB-CD1 3.79Å; L221-L326 HydrophobicContact CB-CD2 3.92Å; L221-L326 HydrophobicContact CD1-CD2 3.75Å; L221-L326 HydrophobicContact CG-CD2 4.48Å; L221-M330 HydrophobicContact CD1-SD 3.68Å
222I93.3Very high78.1Confident11 Ų1152.8 Ų52.86%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-153.4144.3169.8-167.8176.5000108.8I224 L248 R249 I250 D319 L322 F323 L326I222-I224 HydrophobicContact CD1-CD1 4.05Å; I222-I224 HydrophobicContact CD1-CG1 3.89Å; I222-I224 HydrophobicContact CG1-CG1 4.15Å; I222-L248 HydrophobicContact CG2-CD2 4.39Å; I222-R249 WeakPolarHBondContact O-CA 3.46Å; I222-R249 VanDerWaalsContact O-CB 3.27Å; I222-R249 WeakPolarHBondContact O-CB 3.34Å; I222-I250 HydrophobicContact CG2-CB 3.98Å; I222-I250 HydrophobicContact CG2-CD1 4.17Å; I222-I250 HydrophobicContact CG2-CG1 4.04Å; I222-I250 PolarHBondContact O-N 3.12Å; I222-I250 VanDerWaalsContact O-N 3.11Å; I222-D319 WeakPolarHBondContact CD1-O 3.44Å; I222-L322 HydrophobicContact CB-CD2 4.29Å; I222-L322 HydrophobicContact CD1-CB 4.23Å; I222-L322 HydrophobicContact CD1-CD2 3.97Å; I222-L322 HydrophobicContact CD1-CG 4.04Å; I222-L322 HydrophobicContact CG1-CD2 4.05Å; I222-F323 HydrophobicContact CD1-CB 4.13Å; I222-L326 HydrophobicContact CB-CD1 3.79Å; I222-L326 HydrophobicContact CG2-CD1 3.69Å
223L92.3Very high79Confident65 Ų6546 Ų4634%0.3426%0.261SS..EExtended strand (participates in β ladder)trans-132.3109.7166.6169.156.1000108.8P208 E220 P225 R249P208-L223 HydrophobicContact CG-CD1 3.8Å; P208-L223 HydrophobicContact CG-CD2 3.98Å; E220-L223 HydrophobicContact CG-CB 4.35Å; L223-P225 WeakPolarHBondContact O-CD 3.41Å; L223-R249 HydrophobicContact CD1-CB 4.17Å
224I89.8Confident79.9Confident0 Ų044.9 Ų44.90%025%0.252CS..EExtended strand (participates in β ladder)trans-94109.4168.9-57.6-179.1000106.4I222 N226 V228 Y247 L248 L311 L315I222-I224 HydrophobicContact CD1-CD1 4.05Å; I222-I224 HydrophobicContact CD1-CG1 3.89Å; I222-I224 HydrophobicContact CG1-CG1 4.15Å; I224-N226 WeakPolarHBondContact CG2-O 3.29Å; I224-V228 HydrophobicContact CB-CG2 4.34Å; I224-V228 HydrophobicContact CG2-CG2 3.83Å; I224-Y247 CarbonylContact O-C 3.57Å; I224-Y247 WeakPolarHBondContact O-CA 3.42Å; I224-Y247 WeakPolarHBondContact O-CB 3.27Å; I224-L248 HydrophobicContact CB-CB 4.33Å; I224-L248 HydrophobicContact CD1-CD2 4.2Å; I224-L248 HydrophobicContact CG1-CD2 4.43Å; I224-L248 PolarHBondContact N-O 3.12Å; I224-L248 PolarHBondContact O-N 2.85Å; I224-L311 HydrophobicContact CD1-CD2 4.2Å; I224-L315 HydrophobicContact CD1-CD1 4.48Å; I224-L315 HydrophobicContact CG2-CD1 3.88Å; I224-L315 HydrophobicContact CG2-CD2 3.6Å; I224-L315 HydrophobicContact CG2-CG 4.42Å
225P83.4Confident80.7Confident78 Ų7846.9 Ų46.951%0.50627%0.267SS..EExtended strand (participates in β ladder)trans-78.9-20.6-167.930.1-36000114.5L223 Y247L223-P225 WeakPolarHBondContact O-CD 3.41Å; P225-Y247 WeakPolarHBondContact O-CB 3.34Å
226N82.8Confident81.6Confident93 Ų9348.2 Ų48.250%0.49727%0.274SS..EExtended strand (participates in β ladder)trans-157168176.5-166.57.6000109.2I224 P245 G246I224-N226 WeakPolarHBondContact CG2-O 3.29Å; N226-P245 WeakPolarHBondContact OD1-CB 3.47Å; N226-G246 CarbonylContact C-O 3.35Å; N226-G246 VanDerWaalsContact CA-O 3.31Å; N226-G246 WeakPolarHBondContact CA-O 3.31Å
227G82.8Confident82.3Confident15 Ų1548.5 Ų48.516%0.15529%0.287CS..EExtended strand (participates in β ladder)trans93.213175.400000114.7G246 S312G227-G246 PolarHBondContact N-O 3.17Å; G227-S312 VanDerWaalsContact O-CB 3.25Å; G227-S312 WeakPolarHBondContact O-CB 3.38Å; G227-S312 PolarHBondContact O-N 2.94Å
228V87Confident82.4Confident0 Ų047.5 Ų47.50%028%0.278CS..EExtended strand (participates in β ladder)trans-113.9131.5174.1-173.70000110.7I224 P245 G246 L248 V271 V309 V310 L311 L315I224-V228 HydrophobicContact CB-CG2 4.34Å; I224-V228 HydrophobicContact CG2-CG2 3.83Å; V228-P245 CarbonylContact O-C 3.4Å; V228-P245 WeakPolarHBondContact O-CA 3.3Å; V228-G246 PolarHBondContact N-O 3.23Å; V228-G246 PolarHBondContact O-N 3.28Å; V228-L248 HydrophobicContact CB-CB 4.12Å; V228-L248 HydrophobicContact CG1-CB 4.13Å; V228-L248 HydrophobicContact CG1-CD1 3.89Å; V228-L248 HydrophobicContact CG2-CB 3.69Å; V228-L248 HydrophobicContact CG2-CD1 4.32Å; V228-V271 HydrophobicContact CB-CG1 4.37Å; V228-V271 HydrophobicContact CG1-CG1 3.63Å; V228-V309 HydrophobicContact CG1-CG1 3.54Å; V228-V310 WeakPolarHBondContact CA-O 3.45Å; V228-L311 HydrophobicContact CB-CD2 4.36Å; V228-L311 HydrophobicContact CG1-CD2 4.03Å; V228-L311 HydrophobicContact CG2-CD2 3.53Å; V228-L315 HydrophobicContact CG2-CD1 4.4Å
229Q86Confident82.4Confident66 Ų6650.4 Ų50.431%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-119.3152.5177-62.7-179.5-9000110.6P242 S243 P245 V310Q229-P242 HydrophobicContact CB-CB 4.47Å; Q229-S243 WeakPolarHBondContact CG-O 3.33Å; Q229-S243 PolarHBondContact NE2-O 2.81Å; Q229-P245 HydrophobicContact CG-CB 4.31Å; Q229-P245 HydrophobicContact CG-CG 3.95Å; Q229-V310 PolarHBondContact N-O 2.91Å; Q229-V310 PolarHBondContact O-N 2.71Å
230I86.6Confident82.1Confident11 Ų1149.1 Ų49.16%0.05629%0.292CS..EExtended strand (participates in β ladder)trans-124.4145.7172.566.5178.8000111.9F232 P242 S243 V271 W274 V307 G308 V309I230-F232 HydrophobicContact CD1-CE2 3.98Å; I230-F232 HydrophobicContact CD1-CZ 3.63Å; I230-F232 HydrophobicContact CG1-CE2 4.15Å; I230-F232 HydrophobicContact CG1-CZ 4.26Å; I230-P242 CarbonylContact O-C 3.1Å; I230-P242 WeakPolarHBondContact O-CA 3.29Å; I230-S243 PolarHBondContact N-OG 3.18Å; I230-S243 PolarHBondContact O-N 3.49Å; I230-V271 HydrophobicContact CG2-CB 3.99Å; I230-V271 HydrophobicContact CG2-CG1 3.54Å; I230-W274 HydrophobicContact CD1-CB 3.94Å; I230-V307 HydrophobicContact CB-CG1 4.04Å; I230-V307 HydrophobicContact CG2-CG1 4.43Å; I230-G308 CarbonylContact C-O 3.59Å; I230-G308 VanDerWaalsContact CA-O 3.27Å; I230-G308 WeakPolarHBondContact CA-O 3.46Å; I230-V309 HydrophobicContact CG2-CG1 4.47Å; I230-V309 HydrophobicContact CG2-CG2 4.04Å
231F84.3Confident81.4Confident36 Ų3649.4 Ų49.416%0.15830%0.304CS..EExtended strand (participates in β ladder)trans-129.7152.116862.9-97.9000110.3V233 V239 A292 M294 V307 G308 V310F231-V233 HydrophobicContact CD2-CG2 3.96Å; F231-V233 HydrophobicContact CE2-CG2 3.79Å; F231-V239 HydrophobicContact CB-CG1 4.44Å; F231-V239 HydrophobicContact CD2-CG1 3.56Å; F231-V239 HydrophobicContact CE2-CG1 4.1Å; F231-V239 HydrophobicContact CG-CG1 4.23Å; F231-A292 HydrophobicContact CE1-CB 4.33Å; F231-A292 HydrophobicContact CZ-CB 4.43Å; F231-M294 HydrophobicContact CE2-CE 3.98Å; F231-M294 HydrophobicContact CE2-SD 3.84Å; F231-M294 HydrophobicContact CZ-CE 4.45Å; F231-M294 HydrophobicContact CZ-SD 3.69Å; F231-V307 CarbonylContact O-C 3.48Å; F231-V307 WeakPolarHBondContact O-CA 3.3Å; F231-G308 PolarHBondContact N-O 3.01Å; F231-G308 PolarHBondContact O-N 3.07Å; F231-V310 HydrophobicContact CD1-CG2 4.05Å; F231-V310 HydrophobicContact CE1-CG2 3.7Å
232F81.3Confident80.8Confident36 Ų3650.4 Ų50.416%0.15831%0.314CS..EExtended strand (participates in β ladder)trans-107.1137.1-178.9-61.4-87.8000109.9H182 I230 V239 S240 V307H182-F232 AromaticContact CE1-CD1 3.51Å; H182-F232 AromaticContact CE1-CE1 3.34Å; H182-F232 WeakPolarHBondContact CE1-CE1 3.32Å; H182-F232 AromaticContact CE1-CZ 3.77Å; H182-F232 AromaticContact ND1-CD1 3.69Å; H182-F232 AromaticContact ND1-CD2 3.85Å; H182-F232 AromaticContact ND1-CE1 3.33Å; H182-F232 VanDerWaalsContact ND1-CE1 3.33Å; H182-F232 WeakPolarHBondContact ND1-CE1 3.32Å; H182-F232 AromaticContact ND1-CE2 3.49Å; H182-F232 WeakPolarHBondContact ND1-CE2 3.37Å; H182-F232 AromaticContact ND1-CG 3.95Å; H182-F232 AromaticContact ND1-CZ 3.23Å; H182-F232 WeakPolarHBondContact ND1-CZ 3.4Å; I230-F232 HydrophobicContact CD1-CE2 3.98Å; I230-F232 HydrophobicContact CD1-CZ 3.63Å; I230-F232 HydrophobicContact CG1-CE2 4.15Å; I230-F232 HydrophobicContact CG1-CZ 4.26Å; F232-V239 CarbonylContact O-C 3.53Å; F232-V239 WeakPolarHBondContact O-CA 3.13Å; F232-S240 PolarHBondContact N-OG 3.26Å; F232-S240 PolarHBondContact O-N 2.99Å; F232-V307 HydrophobicContact CD1-CB 4.49Å; F232-V307 HydrophobicContact CD1-CG1 4.33Å; F232-V307 HydrophobicContact CD1-CG2 3.65Å; F232-V307 HydrophobicContact CE1-CB 4.46Å; F232-V307 HydrophobicContact CE1-CG1 4.05Å; F232-V307 HydrophobicContact CE1-CG2 3.61Å; F232-V307 HydrophobicContact CZ-CG1 4.49Å
233V79Confident80Confident27 Ų2750.4 Ų50.416%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-114.6123.1173.3-172.50000107.8F231 E238 V239 M294 C305 F306F231-V233 HydrophobicContact CD2-CG2 3.96Å; F231-V233 HydrophobicContact CE2-CG2 3.79Å; V233-E238 WeakPolarHBondContact CA-O 3.48Å; V233-V239 HydrophobicContact CG1-CG2 4.41Å; V233-V239 HydrophobicContact CG2-CG1 4.31Å; V233-V239 HydrophobicContact CG2-CG2 4.2Å; V233-M294 HydrophobicContact CG2-CE 3.78Å; V233-C305 WeakPolarHBondContact O-CA 3.43Å; V233-F306 HydrophobicContact CB-CB 4.32Å; V233-F306 PolarHBondContact N-O 2.82Å; V233-F306 PolarHBondContact O-N 2.86Å
234N75.6Confident79.2Confident55 Ų5550.3 Ų50.329%0.29431%0.311SS..  trans-87.3170.9-178.381.57.2000112A236 G237 E238N234-A236 PolarHBondContact O-N 3.42Å; N234-A236 VanDerWaalsContact O-N 3.1Å; N234-A236 WeakPolarHBondContact OD1-CA 3.46Å; N234-A236 WeakPolarHBondContact OD1-CB 3.34Å; N234-A236 PolarHBondContact OD1-N 2.68Å; N234-G237 PolarHBondContact O-N 2.95Å; N234-G237 PolarHBondContact OD1-N 3.27Å; N234-G237 VanDerWaalsContact OD1-N 3.16Å; N234-E238 PolarHBondContact N-O 3.5Å; N234-E238 PolarHBondContact ND2-OE2 2.88Å; N234-E238 PolarHBondContact OD1-N 3.43Å
235P74.4Confident78.8Confident80 Ų8053.4 Ų53.452%0.51933%0.331SS..THydrogen-bonded Turntrans-66.3-11.4-178.3-21.234.4000114.9A303P235-A303 WeakPolarHBondContact CG-O 3.34Å
236A71.8Confident78.7Confident69 Ų6950.1 Ų50.157%0.5731%0.311SS*.THydrogen-bonded Turntrans-90.2-3.8172.500000113N234 E238N234-A236 PolarHBondContact O-N 3.42Å; N234-A236 VanDerWaalsContact O-N 3.1Å; N234-A236 WeakPolarHBondContact OD1-CA 3.46Å; N234-A236 WeakPolarHBondContact OD1-CB 3.34Å; N234-A236 PolarHBondContact OD1-N 2.68Å; A236-E238 HydrophobicContact CB-CG 4.46Å
237G72.7Confident79Confident48 Ų4846.2 Ų46.250%0.49529%0.289SS..SBendtrans865.6-178.100000114.7N234N234-G237 PolarHBondContact O-N 2.95Å; N234-G237 PolarHBondContact OD1-N 3.27Å; N234-G237 VanDerWaalsContact OD1-N 3.16Å
238E70.9Confident79.4Confident103 Ų10345.5 Ų45.548%0.48128%0.282SS..  trans-74.6142.1175-53.4174.8122.800110.1V233 N234 A236V233-E238 WeakPolarHBondContact CA-O 3.48Å; N234-E238 PolarHBondContact N-O 3.5Å; N234-E238 PolarHBondContact ND2-OE2 2.88Å; N234-E238 PolarHBondContact OD1-N 3.43Å; A236-E238 HydrophobicContact CB-CG 4.46Å
239V76.3Confident79.6Confident76 Ų7645.7 Ų45.746%0.46128%0.282SS..BIsolated β-bridgetrans-116131.7-173.6-170.10000110F231 F232 V233F231-V239 HydrophobicContact CB-CG1 4.44Å; F231-V239 HydrophobicContact CD2-CG1 3.56Å; F231-V239 HydrophobicContact CE2-CG1 4.1Å; F231-V239 HydrophobicContact CG-CG1 4.23Å; F232-V239 CarbonylContact O-C 3.53Å; F232-V239 WeakPolarHBondContact O-CA 3.13Å; V233-V239 HydrophobicContact CG1-CG2 4.41Å; V233-V239 HydrophobicContact CG2-CG1 4.31Å; V233-V239 HydrophobicContact CG2-CG2 4.2Å
240S77Confident79.9Confident48 Ų4842.5 Ų42.534%0.33627%0.268SS..PPolyproline II helixtrans-69.8160.8175.580.30000111.9F232F232-S240 PolarHBondContact N-OG 3.26Å; F232-S240 PolarHBondContact O-N 2.99Å
241A71.8Confident80Confident68 Ų6842 Ų4256%0.56227%0.265SS*.PPolyproline II helixtrans-55.9144157.700000109.8
242P78.7Confident80.2Confident73 Ų7345.4 Ų45.447%0.47428%0.277SS..PPolyproline II helixtrans-62.7149.4170.9-22.434000112Q229 I230Q229-P242 HydrophobicContact CB-CB 4.47Å; I230-P242 CarbonylContact O-C 3.1Å; I230-P242 WeakPolarHBondContact O-CA 3.29Å
243S76.5Confident80.1Confident12 Ų1244.3 Ų44.38%0.08427%0.272CS..PPolyproline II helixtrans-62.3164.3169.372.50000111.6Q229 I230Q229-S243 WeakPolarHBondContact CG-O 3.33Å; Q229-S243 PolarHBondContact NE2-O 2.81Å; I230-S243 PolarHBondContact N-OG 3.18Å; I230-S243 PolarHBondContact O-N 3.49Å
244Y74Confident79.9Confident63 Ų6346.3 Ų46.325%0.24728%0.281CS..PPolyproline II helixtrans-55.2152.4157.9-75.1-54.6000110.9S186 E193 Y202S186-Y244 VanDerWaalsContact CB-CZ 3.45Å; S186-Y244 VanDerWaalsContact CB-OH 3.28Å; S186-Y244 WeakPolarHBondContact CB-OH 3.22Å; E193-Y244 WeakPolarHBondContact OE2-CE1 3.47Å; E193-Y244 PolarHBondContact OE2-OH 2.9Å; Y202-Y244 HydrophobicContact CE1-CD2 4.15Å; Y202-Y244 HydrophobicContact CE1-CE2 4.17Å; Y202-Y244 WeakPolarHBondContact OH-CE2 3.21Å
245P82.2Confident79.3Confident65 Ų6546 Ų4642%0.42228%0.28SS..PPolyproline II helixtrans-56.5135.7166.5-24.334.9000111.6N226 V228 Q229N226-P245 WeakPolarHBondContact OD1-CB 3.47Å; V228-P245 CarbonylContact O-C 3.4Å; V228-P245 WeakPolarHBondContact O-CA 3.3Å; Q229-P245 HydrophobicContact CG-CB 4.31Å; Q229-P245 HydrophobicContact CG-CG 3.95Å
246G81.8Confident78.3Confident8 Ų848.2 Ų48.28%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-153.2-161.7176.600000111.6N226 G227 V228N226-G246 CarbonylContact C-O 3.35Å; N226-G246 VanDerWaalsContact CA-O 3.31Å; N226-G246 WeakPolarHBondContact CA-O 3.31Å; G227-G246 PolarHBondContact N-O 3.17Å; V228-G246 PolarHBondContact N-O 3.23Å; V228-G246 PolarHBondContact O-N 3.28Å
247Y87.8Confident77.4Confident12 Ų1247.3 Ų47.35%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-88.7153.9-173.872.6-95000113.4H205 P208 I224 P225 Q270 V271 C272H205-Y247 VanDerWaalsContact O-CD1 3.31Å; H205-Y247 WeakPolarHBondContact O-CD1 3.34Å; H205-Y247 VanDerWaalsContact O-CE1 3.26Å; H205-Y247 WeakPolarHBondContact O-CE1 3.43Å; P208-Y247 HydrophobicContact CB-CD2 3.98Å; P208-Y247 HydrophobicContact CB-CE2 3.6Å; P208-Y247 HydrophobicContact CG-CD2 4.46Å; I224-Y247 CarbonylContact O-C 3.57Å; I224-Y247 WeakPolarHBondContact O-CA 3.42Å; I224-Y247 WeakPolarHBondContact O-CB 3.27Å; P225-Y247 WeakPolarHBondContact O-CB 3.34Å; Y247-Q270 HydrophobicContact CE2-CG 4.19Å; Y247-Q270 PolarHBondContact OH-NE2 3.08Å; Y247-V271 WeakPolarHBondContact O-CA 3.3Å; Y247-C272 PolarHBondContact O-N 3.42Å; Y247-C272 PolarHBondContact OH-O 3.24Å
248L92Very high76.1Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-130.9141.9169.4176.4151.9000109.6I222 I224 V228 L269 Q270 V271 V309 L311 F323I222-L248 HydrophobicContact CG2-CD2 4.39Å; I224-L248 HydrophobicContact CB-CB 4.33Å; I224-L248 HydrophobicContact CD1-CD2 4.2Å; I224-L248 HydrophobicContact CG1-CD2 4.43Å; I224-L248 PolarHBondContact N-O 3.12Å; I224-L248 PolarHBondContact O-N 2.85Å; V228-L248 HydrophobicContact CB-CB 4.12Å; V228-L248 HydrophobicContact CG1-CB 4.13Å; V228-L248 HydrophobicContact CG1-CD1 3.89Å; V228-L248 HydrophobicContact CG2-CB 3.69Å; V228-L248 HydrophobicContact CG2-CD1 4.32Å; L248-L269 HydrophobicContact CD1-CD1 3.88Å; L248-L269 HydrophobicContact CD2-CD1 3.99Å; L248-L269 HydrophobicContact CG-CD1 3.72Å; L248-Q270 CarbonylContact C-O 3.6Å; L248-Q270 VanDerWaalsContact CA-O 3.31Å; L248-Q270 WeakPolarHBondContact CA-O 3.49Å; L248-V271 HydrophobicContact CB-CG1 4.44Å; L248-V271 HydrophobicContact CB-CG2 4.44Å; L248-V271 HydrophobicContact CD1-CG2 3.82Å; L248-V271 HydrophobicContact CG-CG2 4.06Å; L248-V309 HydrophobicContact CD1-CG1 4Å; L248-L311 HydrophobicContact CD1-CD2 4.2Å; L248-F323 HydrophobicContact CD1-CD2 4.19Å; L248-F323 HydrophobicContact CD1-CE2 3.58Å; L248-F323 HydrophobicContact CD1-CZ 3.88Å; L248-F323 HydrophobicContact CD2-CD2 3.6Å; L248-F323 HydrophobicContact CD2-CE2 3.64Å; L248-F323 HydrophobicContact CG-CE2 4.2Å
249R91.9Very high74.9Confident3 Ų352.9 Ų52.91%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-144.4153.9167.261.9170.1177.5-170.2-7.7113.3P208 P209 E220 I222 L223 V251 Q270P208-R249 VanDerWaalsContact CB-CZ 3.48Å; P209-R249 PolarHBondContact O-NH1 3.39Å; P209-R249 PolarHBondContact O-NH2 3.49Å; E220-R249 HydrophobicContact CG-CB 4.3Å; E220-R249 WeakPolarHBondContact OE2-CD 3.31Å; E220-R249 IonicContact OE2-CZ 2.62Å; E220-R249 IonicContact OE2-NE 3.59Å; E220-R249 IonicContact OE2-NH1 2.97Å; E220-R249 PolarHBondContact OE2-NH1 2.93Å; I222-R249 WeakPolarHBondContact O-CA 3.46Å; I222-R249 VanDerWaalsContact O-CB 3.27Å; I222-R249 WeakPolarHBondContact O-CB 3.34Å; L223-R249 HydrophobicContact CD1-CB 4.17Å; R249-V251 HydrophobicContact CG-CG2 4.22Å; R249-Q270 HydrophobicContact CG-CB 3.94Å; R249-Q270 PolarHBondContact N-O 2.97Å; R249-Q270 PolarHBondContact O-N 2.95Å
250I92.3Very high73.7Confident0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-112.8125.6166-64.6173.1000108.1L221 I222 F268 L269 L278 F323 L326 M330L221-I250 HydrophobicContact CB-CG2 4.41Å; L221-I250 HydrophobicContact CD1-CG2 4.27Å; L221-I250 PolarHBondContact N-O 2.91Å; I222-I250 HydrophobicContact CG2-CB 3.98Å; I222-I250 HydrophobicContact CG2-CD1 4.17Å; I222-I250 HydrophobicContact CG2-CG1 4.04Å; I222-I250 PolarHBondContact O-N 3.12Å; I222-I250 VanDerWaalsContact O-N 3.11Å; I250-F268 WeakPolarHBondContact CA-O 3.33Å; I250-L269 HydrophobicContact CG1-CD1 3.93Å; I250-L278 HydrophobicContact CB-CD1 4.44Å; I250-L278 HydrophobicContact CD1-CD1 4.23Å; I250-L278 HydrophobicContact CG1-CD1 4.06Å; I250-L278 HydrophobicContact CG2-CD1 3.67Å; I250-F323 HydrophobicContact CD1-CD2 3.91Å; I250-F323 HydrophobicContact CD1-CE2 4.03Å; I250-L326 HydrophobicContact CD1-CB 3.65Å; I250-L326 HydrophobicContact CD1-CD1 4.23Å; I250-M330 HydrophobicContact CG2-SD 4.03Å
251V88.3Confident72.3Confident0 Ų052.5 Ų52.50%029%0.293CS..EExtended strand (participates in β ladder)trans-119.6132.8178.3179.60000109.5L211 L214 A218 D219 E220 R249 G267 F268L211-V251 HydrophobicContact CD2-CG1 4.04Å; L211-V251 HydrophobicContact CD2-CG2 3.83Å; L214-V251 HydrophobicContact CD1-CG1 3.93Å; A218-V251 HydrophobicContact CB-CG1 3.86Å; D219-V251 CarbonylContact O-C 3.54Å; D219-V251 WeakPolarHBondContact O-CA 3.38Å; E220-V251 HydrophobicContact CG-CG2 4.26Å; R249-V251 HydrophobicContact CG-CG2 4.22Å; V251-G267 CarbonylContact O-C 3.5Å; V251-G267 WeakPolarHBondContact O-CA 3.5Å; V251-F268 HydrophobicContact CB-CD1 4.21Å; V251-F268 HydrophobicContact CB-CE1 3.64Å; V251-F268 HydrophobicContact CB-CE2 4.27Å; V251-F268 HydrophobicContact CB-CZ 3.68Å; V251-F268 HydrophobicContact CG1-CE1 3.83Å; V251-F268 HydrophobicContact CG1-CZ 4.09Å; V251-F268 HydrophobicContact CG2-CE1 4.42Å; V251-F268 HydrophobicContact CG2-CE2 4.33Å; V251-F268 HydrophobicContact CG2-CZ 3.94Å; V251-F268 PolarHBondContact N-O 2.79Å; V251-F268 PolarHBondContact O-N 3.3Å
252R87.5Confident71.2Confident108 Ų10855.5 Ų55.541%0.40830%0.299SS..EExtended strand (participates in β ladder)trans-113.5135.7178177.2-175.2173.5-157.7-0.7110.1A218 D219 L221 P266 M330A218-R252 CarbonylContact C-O 3.55Å; A218-R252 WeakPolarHBondContact CA-O 3.06Å; A218-R252 WeakPolarHBondContact CB-O 3.2Å; D219-R252 PolarHBondContact N-O 2.96Å; D219-R252 PolarHBondContact O-N 2.94Å; L221-R252 HydrophobicContact CD1-CB 3.83Å; L221-R252 HydrophobicContact CD2-CB 4.26Å; L221-R252 HydrophobicContact CG-CB 4.03Å; R252-P266 WeakPolarHBondContact CA-O 3.43Å; R252-P266 WeakPolarHBondContact CG-O 3.42Å; R252-M330 HydrophobicContact CB-CE 4.25Å; R252-M330 HydrophobicContact CG-CE 4.33Å
253F79.9Confident70.1Confident12 Ų1256 Ų565%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-82.7138.9173.6-56.3-66.5000111.1L216 A218 R264 P265 P266 F268 W436L216-F253 HydrophobicContact CB-CD1 4.09Å; L216-F253 HydrophobicContact CB-CE1 4.37Å; L216-F253 HydrophobicContact CD1-CD1 3.62Å; L216-F253 HydrophobicContact CD1-CE1 3.48Å; L216-F253 VanDerWaalsContact CD1-CE1 3.48Å; L216-F253 HydrophobicContact CD1-CG 4.49Å; L216-F253 HydrophobicContact CD1-CZ 4.23Å; A218-F253 HydrophobicContact CB-CD1 3.93Å; A218-F253 HydrophobicContact CB-CE1 4.42Å; F253-R264 HydrophobicContact CD2-CG 4.2Å; F253-R264 HydrophobicContact CE2-CG 4.29Å; F253-P265 WeakPolarHBondContact CD2-O 3.3Å; F253-P266 PolarHBondContact N-O 2.9Å; F253-F268 HydrophobicContact CE1-CE1 4.07Å; F253-F268 AromaticContact CE2-CD1 3.92Å; F253-F268 HydrophobicContact CE2-CD1 3.92Å; F253-F268 HydrophobicContact CE2-CE1 4.28Å; F253-F268 AromaticContact CZ-CD1 3.62Å; F253-F268 HydrophobicContact CZ-CD1 3.62Å; F253-F268 AromaticContact CZ-CE1 3.53Å; F253-F268 HydrophobicContact CZ-CE1 3.53Å; F253-W436 HydrophobicContact CE2-CZ2 4.49Å; F253-W436 AromaticContact CZ-CZ2 3.91Å; F253-W436 HydrophobicContact CZ-CZ2 3.91Å
254L74.3Confident69.5Low69 Ų6957.6 Ų57.636%0.36130%0.302SS..  trans-94-13.2178.5-70.2-179.6000114D217 D219 N256D217-L254 HydrophobicContact CB-CB 4.12Å; D217-L254 PolarHBondContact O-N 2.57Å; D219-L254 WeakPolarHBondContact OD2-CD2 3.42Å; L254-N256 PolarHBondContact O-N 2.9Å; L254-N256 PolarHBondContact O-ND2 2.79Å
255D62.5Low69.3Low50 Ų5055.1 Ų55.127%0.26729%0.294SS..  trans-64.891.7177.7175.18.1000111.2S257 T260 R264D255-S257 PolarHBondContact O-N 3.48Å; D255-S257 VanDerWaalsContact OD1-CB 3.29Å; D255-S257 WeakPolarHBondContact OD1-CB 3.42Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 PolarHBondContact OD1-OG 3.28Å; D255-T260 PolarHBondContact O-OG1 2.98Å; D255-T260 VanDerWaalsContact O-OG1 3.12Å; D255-T260 PolarHBondContact OD1-OG1 3.42Å; D255-T260 WeakPolarHBondContact OD2-CG2 3.5Å; D255-R264 IonicContact OD2-CZ 3.47Å; D255-R264 IonicContact OD2-NH1 2.78Å; D255-R264 PolarHBondContact OD2-NH1 3.33Å; D255-R264 IonicContact OD2-NH2 2.7Å
256N54Low69.2Low126 Ų12654.4 Ų54.467%0.67429%0.289SS*.  trans-83.921.5177.8-69-55.1000113.3L254 L258L254-N256 PolarHBondContact O-N 2.9Å; L254-N256 PolarHBondContact O-ND2 2.79Å; N256-L258 PolarHBondContact O-N 3.41Å
257S52.4Low69.3Low49 Ų4954 Ų5434%0.34329%0.285SS..  trans-64.7135.9176.256.60000110.8D255 D259 T260 V261D255-S257 PolarHBondContact O-N 3.48Å; D255-S257 VanDerWaalsContact OD1-CB 3.29Å; D255-S257 WeakPolarHBondContact OD1-CB 3.42Å; D255-S257 PolarHBondContact OD1-N 3.42Å; D255-S257 PolarHBondContact OD1-OG 3.28Å; S257-D259 PolarHBondContact O-N 2.93Å; S257-D259 VanDerWaalsContact O-N 3.12Å; S257-T260 PolarHBondContact O-N 3.15Å; S257-T260 PolarHBondContact O-OG1 3.12Å; S257-T260 VanDerWaalsContact OG-CG2 3.3Å; S257-T260 WeakPolarHBondContact OG-CG2 3.33Å; S257-T260 PolarHBondContact OG-OG1 3.33Å; S257-V261 WeakPolarHBondContact O-CG2 3.39Å; S257-V261 PolarHBondContact O-N 3.48Å; S257-V261 VanDerWaalsContact O-N 3.07Å
258L45.7Very low69.4Low136 Ų13654 Ų5471%0.71229%0.285SS*.Hα-helixtrans-63.4-28.2-167.5-142.6151.2000112.3N256 L262N256-L258 PolarHBondContact O-N 3.41Å; L258-L262 HydrophobicContact CD2-CD1 4.18Å
259D45.3Very low69.3Low133 Ų13354 Ų5471%0.71129%0.285SS*.Hα-helixtrans-73-27.8173.5-61.1-57000113.8S257 N263S257-D259 PolarHBondContact O-N 2.93Å; S257-D259 VanDerWaalsContact O-N 3.12Å; D259-N263 PolarHBondContact O-ND2 2.95Å
260T51Low69.1Low24 Ų2454.6 Ų54.615%0.14729%0.288CS..Hα-helixtrans-85.8-39176.961.30000111.9D255 S257 L262 N263 R264D255-T260 PolarHBondContact O-OG1 2.98Å; D255-T260 VanDerWaalsContact O-OG1 3.12Å; D255-T260 PolarHBondContact OD1-OG1 3.42Å; D255-T260 WeakPolarHBondContact OD2-CG2 3.5Å; S257-T260 PolarHBondContact O-N 3.15Å; S257-T260 PolarHBondContact O-OG1 3.12Å; S257-T260 VanDerWaalsContact OG-CG2 3.3Å; S257-T260 WeakPolarHBondContact OG-CG2 3.33Å; S257-T260 PolarHBondContact OG-OG1 3.33Å; T260-L262 PolarHBondContact O-N 3.18Å; T260-L262 VanDerWaalsContact O-N 3.12Å; T260-N263 PolarHBondContact O-N 3.28Å; T260-R264 WeakPolarHBondContact O-CB 3.47Å; T260-R264 PolarHBondContact O-N 3.43Å
261V47.4Very low68.9Low91 Ų9154.7 Ų54.755%0.55229%0.289SS*.Hα-helixtrans-56.9-29.5177.9174.90000112.8S257S257-V261 WeakPolarHBondContact O-CG2 3.39Å; S257-V261 PolarHBondContact O-N 3.48Å; S257-V261 VanDerWaalsContact O-N 3.07Å
262L49.1Very low68.5Low131 Ų13156.1 Ų56.169%0.68630%0.299SS*.THydrogen-bonded Turntrans-86.9-16.3177.5-72.1170.6000114.8L258 T260L258-L262 HydrophobicContact CD2-CD1 4.18Å; T260-L262 PolarHBondContact O-N 3.18Å; T260-L262 VanDerWaalsContact O-N 3.12Å
263N56.2Low67.9Low83 Ų8356.5 Ų56.544%0.44431%0.309SS..THydrogen-bonded Turntrans-128.3-7.6-169-63.8-73.4000114.9D259 T260D259-N263 PolarHBondContact O-ND2 2.95Å; T260-N263 PolarHBondContact O-N 3.28Å
264R64.5Low67.9Low47 Ų4756.5 Ų56.518%0.17731%0.308CS..SBendtrans-123.3137.5179.8-172.6-171.8-67.2155-0.2109F253 D255 T260F253-R264 HydrophobicContact CD2-CG 4.2Å; F253-R264 HydrophobicContact CE2-CG 4.29Å; D255-R264 IonicContact OD2-CZ 3.47Å; D255-R264 IonicContact OD2-NH1 2.78Å; D255-R264 PolarHBondContact OD2-NH1 3.33Å; D255-R264 IonicContact OD2-NH2 2.7Å; T260-R264 WeakPolarHBondContact O-CB 3.47Å; T260-R264 PolarHBondContact O-N 3.43Å
265P70.2Confident68.3Low11 Ų1155.4 Ų55.47%0.07130%0.303CS..  trans-63.1139.2169.329.7-36000109.6F253 G267 P277 V279F253-P265 WeakPolarHBondContact CD2-O 3.3Å; P265-G267 PolarHBondContact O-N 3Å; P265-G267 VanDerWaalsContact O-N 3.17Å; P265-P277 HydrophobicContact CB-CB 3.93Å; P265-P277 HydrophobicContact CG-CB 4Å; P265-V279 HydrophobicContact CB-CG2 3.64Å
266P79.1Confident69.4Low50 Ų5053.3 Ų53.333%0.32529%0.291SS..SBendtrans-65.2-18.4-177.325.8-34.6000113.3R252 F253 L278 P280R252-P266 WeakPolarHBondContact CA-O 3.43Å; R252-P266 WeakPolarHBondContact CG-O 3.42Å; F253-P266 PolarHBondContact N-O 2.9Å; P266-L278 VanDerWaalsContact CD-O 3.29Å; P266-L278 WeakPolarHBondContact CD-O 3.3Å; P266-L278 WeakPolarHBondContact CG-O 3.45Å; P266-P280 HydrophobicContact CG-CG 4.42Å
267G84.7Confident70.9Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-157.6-171.3166.100000113.2V251 P265 L278V251-G267 CarbonylContact O-C 3.5Å; V251-G267 WeakPolarHBondContact O-CA 3.5Å; P265-G267 PolarHBondContact O-N 3Å; P265-G267 VanDerWaalsContact O-N 3.17Å; G267-L278 PolarHBondContact N-O 3.24Å; G267-L278 PolarHBondContact O-N 3.37Å
268F88.9Confident72.4Confident10 Ų1045.5 Ų45.54%0.04425%0.246CC..EExtended strand (participates in β ladder)trans-147.7150.6173.764.4-84.7000111.4L214 I250 V251 F253 Q270 L275 Y276L214-F268 HydrophobicContact CD1-CE1 4.18Å; L214-F268 HydrophobicContact CD1-CZ 3.83Å; L214-F268 HydrophobicContact CD2-CZ 3.97Å; I250-F268 WeakPolarHBondContact CA-O 3.33Å; V251-F268 HydrophobicContact CB-CD1 4.21Å; V251-F268 HydrophobicContact CB-CE1 3.64Å; V251-F268 HydrophobicContact CB-CE2 4.27Å; V251-F268 HydrophobicContact CB-CZ 3.68Å; V251-F268 HydrophobicContact CG1-CE1 3.83Å; V251-F268 HydrophobicContact CG1-CZ 4.09Å; V251-F268 HydrophobicContact CG2-CE1 4.42Å; V251-F268 HydrophobicContact CG2-CE2 4.33Å; V251-F268 HydrophobicContact CG2-CZ 3.94Å; V251-F268 PolarHBondContact N-O 2.79Å; V251-F268 PolarHBondContact O-N 3.3Å; F253-F268 HydrophobicContact CE1-CE1 4.07Å; F253-F268 AromaticContact CE2-CD1 3.92Å; F253-F268 HydrophobicContact CE2-CD1 3.92Å; F253-F268 HydrophobicContact CE2-CE1 4.28Å; F253-F268 AromaticContact CZ-CD1 3.62Å; F253-F268 HydrophobicContact CZ-CD1 3.62Å; F253-F268 AromaticContact CZ-CE1 3.53Å; F253-F268 HydrophobicContact CZ-CE1 3.53Å; F268-Q270 HydrophobicContact CD2-CB 4.17Å; F268-Q270 HydrophobicContact CE2-CB 4.03Å; F268-L275 HydrophobicContact CD2-CD2 3.52Å; F268-L275 HydrophobicContact CE2-CD2 3.71Å; F268-Y276 CarbonylContact C-O 3.46Å; F268-Y276 WeakPolarHBondContact CA-O 3.49Å
269L90.2Very high74.2Confident0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-89135.1163.7173.460.9000108L248 I250 V271 W274 Y276 L278 F295 F323L248-L269 HydrophobicContact CD1-CD1 3.88Å; L248-L269 HydrophobicContact CD2-CD1 3.99Å; L248-L269 HydrophobicContact CG-CD1 3.72Å; I250-L269 HydrophobicContact CG1-CD1 3.93Å; L269-V271 HydrophobicContact CD1-CG2 4.05Å; L269-V271 HydrophobicContact CD2-CG2 4.35Å; L269-V271 HydrophobicContact CG-CG2 4.04Å; L269-W274 HydrophobicContact CD2-CZ3 4.07Å; L269-Y276 PolarHBondContact N-O 2.92Å; L269-Y276 PolarHBondContact O-N 3.28Å; L269-L278 HydrophobicContact CB-CD1 4.03Å; L269-L278 HydrophobicContact CB-CD2 4.37Å; L269-L278 HydrophobicContact CB-CG 4.14Å; L269-F295 HydrophobicContact CD2-CD1 4.42Å; L269-F295 HydrophobicContact CD2-CE1 3.59Å; L269-F295 HydrophobicContact CD2-CE2 4.14Å; L269-F295 HydrophobicContact CD2-CZ 3.43Å; L269-F295 VanDerWaalsContact CD2-CZ 3.43Å; L269-F323 HydrophobicContact CD1-CE2 3.91Å
270Q88.4Confident76Confident17 Ų1736.2 Ų36.28%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-122.9131.3168.6-175.5178.34.100109.1Y247 L248 R249 F268 C272 W274 L275Y247-Q270 HydrophobicContact CE2-CG 4.19Å; Y247-Q270 PolarHBondContact OH-NE2 3.08Å; L248-Q270 CarbonylContact C-O 3.6Å; L248-Q270 VanDerWaalsContact CA-O 3.31Å; L248-Q270 WeakPolarHBondContact CA-O 3.49Å; R249-Q270 HydrophobicContact CG-CB 3.94Å; R249-Q270 PolarHBondContact N-O 2.97Å; R249-Q270 PolarHBondContact O-N 2.95Å; F268-Q270 HydrophobicContact CD2-CB 4.17Å; F268-Q270 HydrophobicContact CE2-CB 4.03Å; Q270-C272 VanDerWaalsContact CG-O 3.29Å; Q270-C272 WeakPolarHBondContact CG-O 3.44Å; Q270-C272 PolarHBondContact NE2-O 3.44Å; Q270-W274 WeakPolarHBondContact CA-O 3.48Å; Q270-L275 HydrophobicContact CB-CD2 3.71Å; Q270-L275 HydrophobicContact CG-CD2 3.7Å; Q270-L275 HydrophobicContact CG-CG 4.34Å
271V86.8Confident77.3Confident2 Ų242 Ų421%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-130104172.3-164.50000107.9V228 I230 Y247 L248 L269 D273 W274 V309V228-V271 HydrophobicContact CB-CG1 4.37Å; V228-V271 HydrophobicContact CG1-CG1 3.63Å; I230-V271 HydrophobicContact CG2-CB 3.99Å; I230-V271 HydrophobicContact CG2-CG1 3.54Å; Y247-V271 WeakPolarHBondContact O-CA 3.3Å; L248-V271 HydrophobicContact CB-CG1 4.44Å; L248-V271 HydrophobicContact CB-CG2 4.44Å; L248-V271 HydrophobicContact CD1-CG2 3.82Å; L248-V271 HydrophobicContact CG-CG2 4.06Å; L269-V271 HydrophobicContact CD1-CG2 4.05Å; L269-V271 HydrophobicContact CD2-CG2 4.35Å; L269-V271 HydrophobicContact CG-CG2 4.04Å; V271-D273 PolarHBondContact O-N 3.18Å; V271-D273 VanDerWaalsContact O-N 3.17Å; V271-W274 HydrophobicContact CB-CE3 4.26Å; V271-W274 HydrophobicContact CG2-CE3 4.04Å; V271-W274 HydrophobicContact CG2-CZ3 4.26Å; V271-W274 PolarHBondContact N-O 2.83Å; V271-W274 PolarHBondContact O-N 2.91Å; V271-V309 HydrophobicContact CG2-CG1 4.26Å; V271-V309 HydrophobicContact CG2-CG2 4.21Å
272C80.9Confident78.7Confident30 Ų3044.1 Ų44.120%0.20323%0.229CC..THydrogen-bonded Turntrans48-116.9-164.4-60.30000111.8Y247 Q270Y247-C272 PolarHBondContact O-N 3.42Å; Y247-C272 PolarHBondContact OH-O 3.24Å; Q270-C272 VanDerWaalsContact CG-O 3.29Å; Q270-C272 WeakPolarHBondContact CG-O 3.44Å; Q270-C272 PolarHBondContact NE2-O 3.44Å
273D74.4Confident80.4Confident116 Ų11638.1 Ų38.162%0.6220%0.198SC*.THydrogen-bonded Turntrans-87.6-9.7179.4-59.7-51.8000113.9V271V271-D273 PolarHBondContact O-N 3.18Å; V271-D273 VanDerWaalsContact O-N 3.17Å
274W80.2Confident81.9Confident12 Ų1235.6 Ų35.65%0.04519%0.186CC..EExtended strand (participates in β ladder)trans-84.2139.9177.7-177.175000111.3I230 L269 Q270 V271 Y276 F295 D297 V307 V309I230-W274 HydrophobicContact CD1-CB 3.94Å; L269-W274 HydrophobicContact CD2-CZ3 4.07Å; Q270-W274 WeakPolarHBondContact CA-O 3.48Å; V271-W274 HydrophobicContact CB-CE3 4.26Å; V271-W274 HydrophobicContact CG2-CE3 4.04Å; V271-W274 HydrophobicContact CG2-CZ3 4.26Å; V271-W274 PolarHBondContact N-O 2.83Å; V271-W274 PolarHBondContact O-N 2.91Å; W274-Y276 VanDerWaalsContact CH2-CB 3.45Å; W274-Y276 AromaticContact CH2-CD2 4Å; W274-Y276 HydrophobicContact CH2-CD2 4Å; W274-Y276 AromaticContact CH2-CG 3.86Å; W274-Y276 HydrophobicContact CH2-CG 3.86Å; W274-Y276 AromaticContact CZ2-CD2 3.91Å; W274-Y276 HydrophobicContact CZ2-CD2 3.91Å; W274-Y276 HydrophobicContact CZ2-CG 4.15Å; W274-F295 HydrophobicContact CH2-CB 3.61Å; W274-F295 HydrophobicContact CH2-CD1 4.17Å; W274-F295 AromaticContact CH2-CD2 3.88Å; W274-F295 HydrophobicContact CH2-CD2 3.88Å; W274-F295 AromaticContact CH2-CG 3.65Å; W274-F295 HydrophobicContact CH2-CG 3.65Å; W274-F295 HydrophobicContact CZ2-CB 4.02Å; W274-F295 HydrophobicContact CZ3-CD2 4.35Å; W274-F295 HydrophobicContact CZ3-CG 4.46Å; W274-D297 PolarHBondContact NE1-OD1 3.42Å; W274-D297 VanDerWaalsContact NE1-OD1 3.07Å; W274-V307 HydrophobicContact CD2-CB 4.45Å; W274-V307 HydrophobicContact CD2-CG1 4.16Å; W274-V307 HydrophobicContact CD2-CG2 4.36Å; W274-V307 HydrophobicContact CE3-CG1 4.38Å; W274-V307 HydrophobicContact CH2-CB 4.16Å; W274-V307 HydrophobicContact CH2-CG1 4.47Å; W274-V307 HydrophobicContact CZ2-CB 3.71Å; W274-V307 HydrophobicContact CZ2-CG1 4.25Å; W274-V307 HydrophobicContact CZ2-CG2 3.72Å; W274-V309 HydrophobicContact CE3-CG2 4.49Å; W274-V309 HydrophobicContact CZ3-CG2 3.87Å
275L83.3Confident83.2Confident46 Ų4633.5 Ų33.524%0.24118%0.178CC..EExtended strand (participates in β ladder)trans-135.4129.7-171.2-77.9162.8000110.4F268 Q270 M299F268-L275 HydrophobicContact CD2-CD2 3.52Å; F268-L275 HydrophobicContact CE2-CD2 3.71Å; Q270-L275 HydrophobicContact CB-CD2 3.71Å; Q270-L275 HydrophobicContact CG-CD2 3.7Å; Q270-L275 HydrophobicContact CG-CG 4.34Å; L275-M299 HydrophobicContact CB-SD 4.32Å
276Y84.6Confident83.9Confident5 Ų536.1 Ų36.12%0.0219%0.192CC..EExtended strand (participates in β ladder)trans-133.4126.7-178.1-179.1-93.5000111.5F268 L269 W274 L278 P284 V285 F295 P296 T298F268-Y276 CarbonylContact C-O 3.46Å; F268-Y276 WeakPolarHBondContact CA-O 3.49Å; L269-Y276 PolarHBondContact N-O 2.92Å; L269-Y276 PolarHBondContact O-N 3.28Å; W274-Y276 VanDerWaalsContact CH2-CB 3.45Å; W274-Y276 AromaticContact CH2-CD2 4Å; W274-Y276 HydrophobicContact CH2-CD2 4Å; W274-Y276 AromaticContact CH2-CG 3.86Å; W274-Y276 HydrophobicContact CH2-CG 3.86Å; W274-Y276 AromaticContact CZ2-CD2 3.91Å; W274-Y276 HydrophobicContact CZ2-CD2 3.91Å; W274-Y276 HydrophobicContact CZ2-CG 4.15Å; Y276-L278 HydrophobicContact CD1-CD2 4.03Å; Y276-L278 HydrophobicContact CE1-CD2 4.14Å; Y276-P284 WeakPolarHBondContact OH-CD 3.42Å; Y276-P284 PolarHBondContact OH-O 2.92Å; Y276-V285 HydrophobicContact CE1-CG2 4.26Å; Y276-F295 AromaticContact CD1-CD1 3.62Å; Y276-F295 HydrophobicContact CD1-CD1 3.62Å; Y276-F295 HydrophobicContact CD1-CE1 4.06Å; Y276-F295 HydrophobicContact CD2-CB 4.04Å; Y276-F295 HydrophobicContact CD2-CD1 4.23Å; Y276-F295 AromaticContact CE1-CD1 3.57Å; Y276-F295 HydrophobicContact CE1-CD1 3.57Å; Y276-F295 HydrophobicContact CE1-CE1 4.15Å; Y276-F295 HydrophobicContact CE2-CB 3.95Å; Y276-F295 HydrophobicContact CE2-CD1 4.18Å; Y276-F295 AromaticContact CG-CD1 3.96Å; Y276-F295 HydrophobicContact CG-CD1 3.96Å; Y276-F295 AromaticContact CZ-CD1 3.87Å; Y276-P296 WeakPolarHBondContact CE2-O 3.08Å; Y276-T298 HydrophobicContact CD2-CG2 4.38Å; Y276-T298 HydrophobicContact CE2-CG2 4.32Å
277P85.8Confident84.4Confident12 Ų1236.2 Ų36.28%0.07819%0.187CC..EExtended strand (participates in β ladder)trans-69.1133.6-179.126.2-31.5000111.7P265 S283 T298 W433P265-P277 HydrophobicContact CB-CB 3.93Å; P265-P277 HydrophobicContact CG-CB 4Å; P277-S283 VanDerWaalsContact O-CB 3.32Å; P277-S283 WeakPolarHBondContact O-CB 3.37Å; P277-S283 PolarHBondContact O-OG 2.93Å; P277-T298 HydrophobicContact CG-CG2 4.44Å; P277-W433 HydrophobicContact CG-CB 4.41Å; P277-W433 HydrophobicContact CG-CG 4.2Å
278L83.3Confident84.2Confident0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-106.3113.1174.4-67.2177.5000110.2I250 P266 G267 L269 Y276 L327 M330I250-L278 HydrophobicContact CB-CD1 4.44Å; I250-L278 HydrophobicContact CD1-CD1 4.23Å; I250-L278 HydrophobicContact CG1-CD1 4.06Å; I250-L278 HydrophobicContact CG2-CD1 3.67Å; P266-L278 VanDerWaalsContact CD-O 3.29Å; P266-L278 WeakPolarHBondContact CD-O 3.3Å; P266-L278 WeakPolarHBondContact CG-O 3.45Å; G267-L278 PolarHBondContact N-O 3.24Å; G267-L278 PolarHBondContact O-N 3.37Å; L269-L278 HydrophobicContact CB-CD1 4.03Å; L269-L278 HydrophobicContact CB-CD2 4.37Å; L269-L278 HydrophobicContact CB-CG 4.14Å; Y276-L278 HydrophobicContact CD1-CD2 4.03Å; Y276-L278 HydrophobicContact CE1-CD2 4.14Å; L278-L327 HydrophobicContact CD2-CD2 3.94Å; L278-M330 CarbonylContact C-O 3.6Å; L278-M330 HydrophobicContact CB-CB 3.96Å; L278-M330 HydrophobicContact CB-CE 4.26Å; L278-M330 HydrophobicContact CD1-CB 4.32Å
279V83Confident83.6Confident22 Ų2241.9 Ų41.913%0.13322%0.223CC..  trans-128.1120.6175.5-165.20000108.1P265 R282 S283 M330P265-V279 HydrophobicContact CB-CG2 3.64Å; V279-R282 HydrophobicContact CB-CB 3.74Å; V279-R282 HydrophobicContact CG1-CB 3.69Å; V279-R282 HydrophobicContact CG1-CG 4.23Å; V279-R282 PolarHBondContact O-N 2.76Å; V279-R282 VanDerWaalsContact O-N 3.16Å; V279-S283 PolarHBondContact N-OG 3.31Å; V279-S283 PolarHBondContact O-N 3.24Å; V279-M330 CarbonylContact C-O 3.55Å; V279-M330 PolarHBondContact N-O 2.78Å
280P84.3Confident82.8Confident51 Ų5146.4 Ų46.433%0.33126%0.261SS..THydrogen-bonded Turntrans-50.6139.6176.3-25.831.5000112.4P266 R282P266-P280 HydrophobicContact CG-CG 4.42Å; P280-R282 VanDerWaalsContact O-CB 3.26Å; P280-R282 WeakPolarHBondContact O-CB 3.25Å; P280-R282 VanDerWaalsContact O-CG 3.25Å; P280-R282 WeakPolarHBondContact O-CG 3.5Å; P280-R282 PolarHBondContact O-N 2.89Å
281D78.3Confident82.4Confident146 Ų14647.2 Ų47.278%0.78127%0.273SS*.THydrogen-bonded Turntrans56.610.8-179.3-49.6-50.7000115.7
282R76.8Confident82.4Confident135 Ų13547.6 Ų47.651%0.50928%0.277SS..THydrogen-bonded Turntrans-138.2-38.6-159.5-79.6178.7165.6-151.6-1.7115.3V279 P280 P284 H425V279-R282 HydrophobicContact CB-CB 3.74Å; V279-R282 HydrophobicContact CG1-CB 3.69Å; V279-R282 HydrophobicContact CG1-CG 4.23Å; V279-R282 PolarHBondContact O-N 2.76Å; V279-R282 VanDerWaalsContact O-N 3.16Å; P280-R282 VanDerWaalsContact O-CB 3.26Å; P280-R282 WeakPolarHBondContact O-CB 3.25Å; P280-R282 VanDerWaalsContact O-CG 3.25Å; P280-R282 WeakPolarHBondContact O-CG 3.5Å; P280-R282 PolarHBondContact O-N 2.89Å; R282-P284 VanDerWaalsContact O-CD 3.27Å; R282-P284 WeakPolarHBondContact O-CD 3.42Å; R282-H425 VanDerWaalsContact CB-NE2 3.28Å; R282-H425 WeakPolarHBondContact CB-NE2 3.28Å; R282-H425 VanDerWaalsContact CD-CE1 3.4Å; R282-H425 WeakPolarHBondContact CD-CE1 3.38Å; R282-H425 VanDerWaalsContact CG-NE2 3.3Å; R282-H425 WeakPolarHBondContact CG-NE2 3.42Å; R282-H425 PolarHBondContact NE-CE1 2.87Å
283S85.2Confident82.9Confident6 Ų646.7 Ų46.74%0.04227%0.269CS..SBendtrans-83.1109.1172.1-67.90000109.8P277 V279 V285 S331 D332P277-S283 VanDerWaalsContact O-CB 3.32Å; P277-S283 WeakPolarHBondContact O-CB 3.37Å; P277-S283 PolarHBondContact O-OG 2.93Å; V279-S283 PolarHBondContact N-OG 3.31Å; V279-S283 PolarHBondContact O-N 3.24Å; S283-V285 PolarHBondContact O-N 2.72Å; S283-S331 CarbonylContact O-C 3.41Å; S283-S331 VanDerWaalsContact O-CB 3.28Å; S283-S331 WeakPolarHBondContact O-CB 3.3Å; S283-D332 PolarHBondContact O-N 3.42Å
284P88Confident83.6Confident29 Ų2942.5 Ų42.519%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-76.1126.3-174.530.8-36.4000112.6Y276 R282 P296Y276-P284 WeakPolarHBondContact OH-CD 3.42Å; Y276-P284 PolarHBondContact OH-O 2.92Å; R282-P284 VanDerWaalsContact O-CD 3.27Å; R282-P284 WeakPolarHBondContact O-CD 3.42Å; P284-P296 HydrophobicContact CG-CG 3.88Å; P284-P296 VanDerWaalsContact O-CD 3.23Å; P284-P296 WeakPolarHBondContact O-CD 3.27Å
285V90.2Very high84.1Confident4 Ų442 Ų422%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-129.8137.9175.4-170.30000109.3Y276 S283 F295 L327 S331 D332 L333 R334Y276-V285 HydrophobicContact CE1-CG2 4.26Å; S283-V285 PolarHBondContact O-N 2.72Å; V285-F295 HydrophobicContact CB-CD1 4.25Å; V285-F295 HydrophobicContact CB-CE1 4.11Å; V285-F295 HydrophobicContact CG1-CD1 3.84Å; V285-F295 HydrophobicContact CG1-CD2 4.47Å; V285-F295 HydrophobicContact CG1-CE1 3.49Å; V285-F295 VanDerWaalsContact CG1-CE1 3.49Å; V285-F295 HydrophobicContact CG1-CE2 4.15Å; V285-F295 HydrophobicContact CG1-CG 4.32Å; V285-F295 HydrophobicContact CG1-CZ 3.65Å; V285-F295 HydrophobicContact CG2-CD1 3.56Å; V285-F295 HydrophobicContact CG2-CE1 3.44Å; V285-F295 VanDerWaalsContact CG2-CE1 3.44Å; V285-F295 HydrophobicContact CG2-CZ 4.4Å; V285-L327 HydrophobicContact CG1-CD1 4.35Å; V285-S331 WeakPolarHBondContact CG2-OG 3.24Å; V285-D332 PolarHBondContact N-O 2.87Å; V285-L333 HydrophobicContact CB-CD1 3.73Å; V285-L333 HydrophobicContact CG1-CD1 3.59Å; V285-L333 WeakPolarHBondContact O-CA 3.41Å; V285-R334 PolarHBondContact O-N 3.06Å
286L85.6Confident84.1Confident66 Ų6641.8 Ų41.835%0.34625%0.246SC..EExtended strand (participates in β ladder)trans-118.9111.8176.817768.2000110.2C288 M294 R334 Q336L286-C288 PolarHBondContact O-N 2.93Å; L286-M294 HydrophobicContact CB-CB 4.31Å; L286-M294 PolarHBondContact N-O 2.85Å; L286-M294 PolarHBondContact O-N 3.01Å; L286-R334 WeakPolarHBondContact CA-O 3.49Å; L286-R334 HydrophobicContact CD1-CB 4.25Å; L286-Q336 HydrophobicContact CD1-CB 4.1Å
287K89.4Confident83.7Confident51 Ų5142.1 Ų42.122%0.22225%0.248CC..EExtended strand (participates in β ladder)trans-77.2113.7167.1-176.6177177.4177.20109.1Y293 E324 L333 R334 L335 Q336K287-Y293 HydrophobicContact CB-CD1 4.01Å; K287-Y293 HydrophobicContact CB-CE1 4Å; K287-Y293 HydrophobicContact CD-CE1 3.75Å; K287-Y293 HydrophobicContact CG-CD1 4.19Å; K287-Y293 HydrophobicContact CG-CE1 3.86Å; K287-E324 IonicContact NZ-OE1 2.71Å; K287-E324 PolarHBondContact NZ-OE1 2.94Å; K287-E324 IonicContact NZ-OE2 2.6Å; K287-E324 PolarHBondContact NZ-OE2 3.29Å; K287-L333 HydrophobicContact CB-CD1 4.33Å; K287-R334 PolarHBondContact N-O 3.24Å; K287-L335 HydrophobicContact CB-CD2 3.99Å; K287-L335 HydrophobicContact CD-CD2 3.97Å; K287-L335 HydrophobicContact CG-CD2 4.38Å; K287-Q336 WeakPolarHBondContact O-CB 3.28Å; K287-Q336 PolarHBondContact O-N 3.48Å
288C81.7Confident82.8Confident27 Ų2743.4 Ų43.418%0.18226%0.256CS..  trans-74.5158.1176-72.80000112L286 A290 G291 A292 M294L286-C288 PolarHBondContact O-N 2.93Å; C288-A290 PolarHBondContact O-N 3.25Å; C288-G291 PolarHBondContact O-N 3.25Å; C288-A292 PolarHBondContact N-O 3.49Å; C288-M294 VanDerWaalsContact SG-CG 3.54Å
289T75.9Confident81.9Confident103 Ų10347.5 Ų47.563%0.63228%0.276SS*.THydrogen-bonded Turntrans-61.3-25177.352.90000113.2G291 Q336T289-G291 VanDerWaalsContact C-N 3.27Å; T289-G291 PolarHBondContact O-N 3Å; T289-Q336 HydrophobicContact CG2-CB 4.32Å; T289-Q336 HydrophobicContact CG2-CG 4.32Å
290A72.8Confident80.8Confident95 Ų9549.5 Ų49.579%0.78529%0.286SS*.THydrogen-bonded Turntrans-80.45.1174.200000114.6C288 A292C288-A290 PolarHBondContact O-N 3.25Å; A290-A292 VanDerWaalsContact C-N 3.32Å; A290-A292 PolarHBondContact O-N 3.45Å
291G79.7Confident79.2Confident33 Ų3357 Ų5734%0.3432%0.316SS..SBendtrans84.6-8.4177.800000115.9C288 T289 Y293C288-G291 PolarHBondContact O-N 3.25Å; T289-G291 VanDerWaalsContact C-N 3.27Å; T289-G291 PolarHBondContact O-N 3Å; G291-Y293 WeakPolarHBondContact O-CE2 3.41Å
292A86.1Confident77.9Confident11 Ų1152.5 Ų52.59%0.09130%0.299CS..  trans-70.7146.417100000111.9F231 C288 A290 V309 V310F231-A292 HydrophobicContact CE1-CB 4.33Å; F231-A292 HydrophobicContact CZ-CB 4.43Å; C288-A292 PolarHBondContact N-O 3.49Å; A290-A292 VanDerWaalsContact C-N 3.32Å; A290-A292 PolarHBondContact O-N 3.45Å; A292-V309 WeakPolarHBondContact CA-O 3.1Å; A292-V310 HydrophobicContact CB-CG2 4.02Å
293Y92.5Very high77.4Confident10 Ų1050.8 Ų50.84%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-106.7115175.2-62-95.4000109.3K287 G291 F295 G308 V309 L311 F323 E324 L327 L333K287-Y293 HydrophobicContact CB-CD1 4.01Å; K287-Y293 HydrophobicContact CB-CE1 4Å; K287-Y293 HydrophobicContact CD-CE1 3.75Å; K287-Y293 HydrophobicContact CG-CD1 4.19Å; K287-Y293 HydrophobicContact CG-CE1 3.86Å; G291-Y293 WeakPolarHBondContact O-CE2 3.41Å; Y293-F295 VanDerWaalsContact O-CD2 3.25Å; Y293-F295 WeakPolarHBondContact O-CD2 3.47Å; Y293-F295 VanDerWaalsContact O-CE2 3.29Å; Y293-F295 WeakPolarHBondContact O-CE2 3.29Å; Y293-G308 CarbonylContact O-C 3.53Å; Y293-G308 WeakPolarHBondContact O-CA 3.22Å; Y293-V309 PolarHBondContact N-O 3.5Å; Y293-V309 PolarHBondContact O-N 3.42Å; Y293-L311 HydrophobicContact CE2-CD1 4.38Å; Y293-F323 HydrophobicContact CD1-CE1 4.3Å; Y293-F323 AromaticContact CD2-CE1 3.85Å; Y293-F323 HydrophobicContact CD2-CE1 3.85Å; Y293-F323 HydrophobicContact CE1-CE1 4.28Å; Y293-F323 HydrophobicContact CE2-CD1 4.18Å; Y293-F323 AromaticContact CE2-CE1 3.82Å; Y293-F323 HydrophobicContact CE2-CE1 3.82Å; Y293-F323 HydrophobicContact CG-CE1 4.1Å; Y293-E324 HydrophobicContact CE1-CG 4.44Å; Y293-E324 PolarHBondContact OH-OE2 3.16Å; Y293-E324 VanDerWaalsContact OH-OE2 3.07Å; Y293-L327 HydrophobicContact CD1-CD1 3.7Å; Y293-L327 HydrophobicContact CE1-CD1 4.01Å; Y293-L327 HydrophobicContact CG-CD1 4.34Å; Y293-L333 HydrophobicContact CD1-CD1 4.22Å
294M89.4Confident76.5Confident29 Ų2952.1 Ų52.114%0.14333%0.329CS..EExtended strand (participates in β ladder)trans-95.5130.3-179.8-59.5-58.5-54.300111.1F231 V233 L286 C288 F306 V307 G308F231-M294 HydrophobicContact CE2-CE 3.98Å; F231-M294 HydrophobicContact CE2-SD 3.84Å; F231-M294 HydrophobicContact CZ-CE 4.45Å; F231-M294 HydrophobicContact CZ-SD 3.69Å; V233-M294 HydrophobicContact CG2-CE 3.78Å; L286-M294 HydrophobicContact CB-CB 4.31Å; L286-M294 PolarHBondContact N-O 2.85Å; L286-M294 PolarHBondContact O-N 3.01Å; C288-M294 VanDerWaalsContact SG-CG 3.54Å; M294-F306 HydrophobicContact CE-CB 3.85Å; M294-V307 WeakPolarHBondContact CA-O 3.25Å; M294-G308 WeakPolarHBondContact SD-CA 3.34Å
295F89.7Confident75.8Confident0 Ų051.3 Ų51.30%032%0.324CS..EExtended strand (participates in β ladder)trans-125.1142.2179-56.8-102.3000108.9L269 W274 Y276 V285 Y293 F306 V307 V309 L327L269-F295 HydrophobicContact CD2-CD1 4.42Å; L269-F295 HydrophobicContact CD2-CE1 3.59Å; L269-F295 HydrophobicContact CD2-CE2 4.14Å; L269-F295 HydrophobicContact CD2-CZ 3.43Å; L269-F295 VanDerWaalsContact CD2-CZ 3.43Å; W274-F295 HydrophobicContact CH2-CB 3.61Å; W274-F295 HydrophobicContact CH2-CD1 4.17Å; W274-F295 AromaticContact CH2-CD2 3.88Å; W274-F295 HydrophobicContact CH2-CD2 3.88Å; W274-F295 AromaticContact CH2-CG 3.65Å; W274-F295 HydrophobicContact CH2-CG 3.65Å; W274-F295 HydrophobicContact CZ2-CB 4.02Å; W274-F295 HydrophobicContact CZ3-CD2 4.35Å; W274-F295 HydrophobicContact CZ3-CG 4.46Å; Y276-F295 AromaticContact CD1-CD1 3.62Å; Y276-F295 HydrophobicContact CD1-CD1 3.62Å; Y276-F295 HydrophobicContact CD1-CE1 4.06Å; Y276-F295 HydrophobicContact CD2-CB 4.04Å; Y276-F295 HydrophobicContact CD2-CD1 4.23Å; Y276-F295 AromaticContact CE1-CD1 3.57Å; Y276-F295 HydrophobicContact CE1-CD1 3.57Å; Y276-F295 HydrophobicContact CE1-CE1 4.15Å; Y276-F295 HydrophobicContact CE2-CB 3.95Å; Y276-F295 HydrophobicContact CE2-CD1 4.18Å; Y276-F295 AromaticContact CG-CD1 3.96Å; Y276-F295 HydrophobicContact CG-CD1 3.96Å; Y276-F295 AromaticContact CZ-CD1 3.87Å; V285-F295 HydrophobicContact CB-CD1 4.25Å; V285-F295 HydrophobicContact CB-CE1 4.11Å; V285-F295 HydrophobicContact CG1-CD1 3.84Å; V285-F295 HydrophobicContact CG1-CD2 4.47Å; V285-F295 HydrophobicContact CG1-CE1 3.49Å; V285-F295 VanDerWaalsContact CG1-CE1 3.49Å; V285-F295 HydrophobicContact CG1-CE2 4.15Å; V285-F295 HydrophobicContact CG1-CG 4.32Å; V285-F295 HydrophobicContact CG1-CZ 3.65Å; V285-F295 HydrophobicContact CG2-CD1 3.56Å; V285-F295 HydrophobicContact CG2-CE1 3.44Å; V285-F295 VanDerWaalsContact CG2-CE1 3.44Å; V285-F295 HydrophobicContact CG2-CZ 4.4Å; Y293-F295 VanDerWaalsContact O-CD2 3.25Å; Y293-F295 WeakPolarHBondContact O-CD2 3.47Å; Y293-F295 VanDerWaalsContact O-CE2 3.29Å; Y293-F295 WeakPolarHBondContact O-CE2 3.29Å; F295-F306 CarbonylContact O-C 3.58Å; F295-F306 WeakPolarHBondContact O-CA 3.35Å; F295-F306 WeakPolarHBondContact O-CB 3.48Å; F295-V307 PolarHBondContact N-O 3.39Å; F295-V307 PolarHBondContact O-N 2.85Å; F295-V309 HydrophobicContact CD2-CG2 3.8Å; F295-V309 HydrophobicContact CE2-CB 3.91Å; F295-V309 HydrophobicContact CE2-CG2 3.48Å; F295-V309 VanDerWaalsContact CE2-CG2 3.48Å; F295-V309 HydrophobicContact CZ-CG2 4.45Å; F295-L327 HydrophobicContact CE1-CD2 4.14Å; F295-L327 HydrophobicContact CZ-CD1 4.18Å; F295-L327 HydrophobicContact CZ-CD2 4.29Å
296P84.6Confident75.5Confident43 Ų4355.5 Ų55.528%0.27934%0.341SS..EExtended strand (participates in β ladder)trans-63.1138.3165.7-19.232.3000109.9Y276 P284 T298 F306Y276-P296 WeakPolarHBondContact CE2-O 3.08Å; P284-P296 HydrophobicContact CG-CG 3.88Å; P284-P296 VanDerWaalsContact O-CD 3.23Å; P284-P296 WeakPolarHBondContact O-CD 3.27Å; P296-T298 PolarHBondContact O-N 3.44Å; P296-F306 HydrophobicContact CB-CD1 4.32Å; P296-F306 HydrophobicContact CB-CE1 4.39Å; P296-F306 HydrophobicContact CG-CD1 4.33Å; P296-F306 HydrophobicContact CG-CE1 4.21Å
297D75.2Confident75.5Confident12 Ų1252.3 Ų52.36%0.06433%0.325CS..  trans-76.2117.2176.5-165.94.3000110.5W274 M299 L300 C305 V307W274-D297 PolarHBondContact NE1-OD1 3.42Å; W274-D297 VanDerWaalsContact NE1-OD1 3.07Å; D297-M299 VanDerWaalsContact OD1-CB 3.32Å; D297-M299 WeakPolarHBondContact OD1-CB 3.35Å; D297-M299 WeakPolarHBondContact OD1-CG 3.44Å; D297-M299 PolarHBondContact OD1-N 3.48Å; D297-L300 WeakPolarHBondContact OD2-CD1 3.36Å; D297-L300 WeakPolarHBondContact OD2-CG 3.27Å; D297-C305 HydrophobicContact CB-CB 3.9Å; D297-C305 PolarHBondContact N-O 2.97Å; D297-V307 HydrophobicContact CB-CG2 3.82Å
298T68.3Low75.4Confident39 Ų3949.9 Ų49.924%0.23931%0.314CS..SBendtrans-90.5-8.7175.353.40000113.1Y276 P277 P296 W433Y276-T298 HydrophobicContact CD2-CG2 4.38Å; Y276-T298 HydrophobicContact CE2-CG2 4.32Å; P277-T298 HydrophobicContact CG-CG2 4.44Å; P296-T298 PolarHBondContact O-N 3.44Å; T298-W433 WeakPolarHBondContact O-CZ3 3.48Å
299M62.7Low75.9Confident85 Ų8548.6 Ų48.642%0.41931%0.306SS..SBendtrans-80.2-39.5179.9-57.7-67.9-72.300111.7L275 D297 W433L275-M299 HydrophobicContact CB-SD 4.32Å; D297-M299 VanDerWaalsContact OD1-CB 3.32Å; D297-M299 WeakPolarHBondContact OD1-CB 3.35Å; D297-M299 WeakPolarHBondContact OD1-CG 3.44Å; D297-M299 PolarHBondContact OD1-N 3.48Å; M299-W433 HydrophobicContact CE-CH2 4.48Å; M299-W433 HydrophobicContact SD-CH2 3.47Å; M299-W433 WeakPolarHBondContact SD-CH2 3.46Å; M299-W433 HydrophobicContact SD-CZ2 3.43Å; M299-W433 WeakPolarHBondContact SD-CZ2 3.41Å
300L59.8Low76.6Confident65 Ų6546 Ų4634%0.3429%0.29SS..SBendtrans-85.1138.8177.5-69.1175.4000111.6D297 A302 C305D297-L300 WeakPolarHBondContact OD2-CD1 3.36Å; D297-L300 WeakPolarHBondContact OD2-CG 3.27Å; L300-A302 PolarHBondContact O-N 3.16Å; L300-C305 HydrophobicContact CD1-CB 4.22Å
301Q50.6Low77.4Confident209 Ų20942.6 Ų42.698%0.97726%0.258SS*.SBendtrans-78.13.9176.2-62.8-174.8700113.6
302A52.8Low77.7Confident51 Ų5142.7 Ų42.742%0.42125%0.253SS..SBendtrans-92.8117.3-179.900000111L300L300-A302 PolarHBondContact O-N 3.16Å
303A64.6Low77.5Confident98 Ų9847.4 Ų47.481%0.8129%0.286SS*.THydrogen-bonded Turntrans-65.5138.6172.500000110.7P235P235-A303 WeakPolarHBondContact CG-O 3.34Å
304G68.1Low76.9Confident35 Ų3555.5 Ų55.536%0.36132%0.324SS..THydrogen-bonded Turntrans95.4-2.5-177.800000115F306G304-F306 VanDerWaalsContact O-CD2 3.23Å; G304-F306 WeakPolarHBondContact O-CD2 3.36Å; G304-F306 VanDerWaalsContact O-CE2 3.3Å; G304-F306 WeakPolarHBondContact O-CE2 3.46Å
305C73Confident76.6Confident12 Ų1255 Ų558%0.08132%0.322CS..  trans-75139.9166.6-66.90000111.5V233 D297 L300V233-C305 WeakPolarHBondContact O-CA 3.43Å; D297-C305 HydrophobicContact CB-CB 3.9Å; D297-C305 PolarHBondContact N-O 2.97Å; L300-C305 HydrophobicContact CD1-CB 4.22Å
306F82.3Confident76.5Confident91 Ų9158.2 Ų58.240%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-134.2154.7173.3-58.6-92.7000111.1V233 M294 F295 P296 G304V233-F306 HydrophobicContact CB-CB 4.32Å; V233-F306 PolarHBondContact N-O 2.82Å; V233-F306 PolarHBondContact O-N 2.86Å; M294-F306 HydrophobicContact CE-CB 3.85Å; F295-F306 CarbonylContact O-C 3.58Å; F295-F306 WeakPolarHBondContact O-CA 3.35Å; F295-F306 WeakPolarHBondContact O-CB 3.48Å; P296-F306 HydrophobicContact CB-CD1 4.32Å; P296-F306 HydrophobicContact CB-CE1 4.39Å; P296-F306 HydrophobicContact CG-CD1 4.33Å; P296-F306 HydrophobicContact CG-CE1 4.21Å; G304-F306 VanDerWaalsContact O-CD2 3.23Å; G304-F306 WeakPolarHBondContact O-CD2 3.36Å; G304-F306 VanDerWaalsContact O-CE2 3.3Å; G304-F306 WeakPolarHBondContact O-CE2 3.46Å
307V86.4Confident76.7Confident0 Ų061.8 Ų61.80%036%0.356CS..EExtended strand (participates in β ladder)trans-117.1127.2171.3-170.10000108.7I230 F231 F232 W274 M294 F295 D297I230-V307 HydrophobicContact CB-CG1 4.04Å; I230-V307 HydrophobicContact CG2-CG1 4.43Å; F231-V307 CarbonylContact O-C 3.48Å; F231-V307 WeakPolarHBondContact O-CA 3.3Å; F232-V307 HydrophobicContact CD1-CB 4.49Å; F232-V307 HydrophobicContact CD1-CG1 4.33Å; F232-V307 HydrophobicContact CD1-CG2 3.65Å; F232-V307 HydrophobicContact CE1-CB 4.46Å; F232-V307 HydrophobicContact CE1-CG1 4.05Å; F232-V307 HydrophobicContact CE1-CG2 3.61Å; F232-V307 HydrophobicContact CZ-CG1 4.49Å; W274-V307 HydrophobicContact CD2-CB 4.45Å; W274-V307 HydrophobicContact CD2-CG1 4.16Å; W274-V307 HydrophobicContact CD2-CG2 4.36Å; W274-V307 HydrophobicContact CE3-CG1 4.38Å; W274-V307 HydrophobicContact CH2-CB 4.16Å; W274-V307 HydrophobicContact CH2-CG1 4.47Å; W274-V307 HydrophobicContact CZ2-CB 3.71Å; W274-V307 HydrophobicContact CZ2-CG1 4.25Å; W274-V307 HydrophobicContact CZ2-CG2 3.72Å; M294-V307 WeakPolarHBondContact CA-O 3.25Å; F295-V307 PolarHBondContact N-O 3.39Å; F295-V307 PolarHBondContact O-N 2.85Å; D297-V307 HydrophobicContact CB-CG2 3.82Å
308G88.2Confident77.4Confident0 Ų067.3 Ų67.30%039%0.385CS..EExtended strand (participates in β ladder)trans-97.3120.4170.500000110.5I230 F231 Y293 M294I230-G308 CarbonylContact C-O 3.59Å; I230-G308 VanDerWaalsContact CA-O 3.27Å; I230-G308 WeakPolarHBondContact CA-O 3.46Å; F231-G308 PolarHBondContact N-O 3.01Å; F231-G308 PolarHBondContact O-N 3.07Å; Y293-G308 CarbonylContact O-C 3.53Å; Y293-G308 WeakPolarHBondContact O-CA 3.22Å; M294-G308 WeakPolarHBondContact SD-CA 3.34Å
309V91.4Very high78.5Confident0 Ų067.9 Ų67.90%039%0.386CS..EExtended strand (participates in β ladder)trans-98.2130.4173.4-175.50000108.9V228 I230 L248 V271 W274 A292 Y293 F295V228-V309 HydrophobicContact CG1-CG1 3.54Å; I230-V309 HydrophobicContact CG2-CG1 4.47Å; I230-V309 HydrophobicContact CG2-CG2 4.04Å; L248-V309 HydrophobicContact CD1-CG1 4Å; V271-V309 HydrophobicContact CG2-CG1 4.26Å; V271-V309 HydrophobicContact CG2-CG2 4.21Å; W274-V309 HydrophobicContact CE3-CG2 4.49Å; W274-V309 HydrophobicContact CZ3-CG2 3.87Å; A292-V309 WeakPolarHBondContact CA-O 3.1Å; Y293-V309 PolarHBondContact N-O 3.5Å; Y293-V309 PolarHBondContact O-N 3.42Å; F295-V309 HydrophobicContact CD2-CG2 3.8Å; F295-V309 HydrophobicContact CE2-CB 3.91Å; F295-V309 HydrophobicContact CE2-CG2 3.48Å; F295-V309 VanDerWaalsContact CE2-CG2 3.48Å; F295-V309 HydrophobicContact CZ-CG2 4.45Å
310V89.9Confident79.8Confident48 Ų4866.8 Ų66.829%0.29138%0.378SS..EExtended strand (participates in β ladder)trans-121.1126.2-179.8-175.70000109.3V228 Q229 F231 A292V228-V310 WeakPolarHBondContact CA-O 3.45Å; Q229-V310 PolarHBondContact N-O 2.91Å; Q229-V310 PolarHBondContact O-N 2.71Å; F231-V310 HydrophobicContact CD1-CG2 4.05Å; F231-V310 HydrophobicContact CE1-CG2 3.7Å; A292-V310 HydrophobicContact CB-CG2 4.02Å
311L89.2Confident81.4Confident24 Ų2470 Ų7013%0.12639%0.391CS..EExtended strand (participates in β ladder)trans-91.5133.3170.5-58.2-174.2000109.3I224 V228 L248 Y293 L315 R320 F323I224-L311 HydrophobicContact CD1-CD2 4.2Å; V228-L311 HydrophobicContact CB-CD2 4.36Å; V228-L311 HydrophobicContact CG1-CD2 4.03Å; V228-L311 HydrophobicContact CG2-CD2 3.53Å; L248-L311 HydrophobicContact CD1-CD2 4.2Å; Y293-L311 HydrophobicContact CE2-CD1 4.38Å; L311-L315 HydrophobicContact CB-CD1 4.01Å; L311-L315 HydrophobicContact CD2-CD1 4.33Å; L311-R320 HydrophobicContact CD1-CB 4.37Å; L311-R320 HydrophobicContact CD1-CG 3.95Å; L311-F323 HydrophobicContact CD1-CB 4.4Å; L311-F323 HydrophobicContact CD1-CD1 3.66Å; L311-F323 HydrophobicContact CD1-CE1 4.23Å; L311-F323 HydrophobicContact CD1-CG 4.2Å; L311-F323 HydrophobicContact CG-CD1 4.48Å
312S86.5Confident83.5Confident34 Ų3463.6 Ų63.624%0.23836%0.363CS..  trans-61.6142.7173179.30000111.5G227 E314 L315G227-S312 VanDerWaalsContact O-CB 3.25Å; G227-S312 WeakPolarHBondContact O-CB 3.38Å; G227-S312 PolarHBondContact O-N 2.94Å; S312-E314 PolarHBondContact O-N 3.4Å; S312-E314 WeakPolarHBondContact OG-CB 3.46Å; S312-E314 PolarHBondContact OG-N 3.3Å; S312-E314 VanDerWaalsContact OG-N 3.14Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 3.09Å; S312-L315 VanDerWaalsContact O-N 3.17Å
313S82.2Confident85.4Confident110 Ų11061.2 Ų61.277%0.76934%0.343SS*.THydrogen-bonded Turntrans-68.7-10.417150.50000113.5L315S313-L315 VanDerWaalsContact C-N 3.3Å
314E79.2Confident86.8Confident180 Ų18058 Ų5884%0.84131%0.311SS*.THydrogen-bonded Turntrans-79.5-11172.3-58.5-178.6150.500113S312S312-E314 PolarHBondContact O-N 3.4Å; S312-E314 WeakPolarHBondContact OG-CB 3.46Å; S312-E314 PolarHBondContact OG-N 3.3Å; S312-E314 VanDerWaalsContact OG-N 3.14Å
315L84.1Confident88.1Confident20 Ų2060.5 Ų60.511%0.10532%0.317CS..SBendtrans-71.9144.9176-72.5169.2000111.5I224 V228 L311 S312 S313 R320I224-L315 HydrophobicContact CD1-CD1 4.48Å; I224-L315 HydrophobicContact CG2-CD1 3.88Å; I224-L315 HydrophobicContact CG2-CD2 3.6Å; I224-L315 HydrophobicContact CG2-CG 4.42Å; V228-L315 HydrophobicContact CG2-CD1 4.4Å; L311-L315 HydrophobicContact CB-CD1 4.01Å; L311-L315 HydrophobicContact CD2-CD1 4.33Å; S312-L315 WeakPolarHBondContact O-CB 3.44Å; S312-L315 PolarHBondContact O-N 3.09Å; S312-L315 VanDerWaalsContact O-N 3.17Å; S313-L315 VanDerWaalsContact C-N 3.3Å; L315-R320 HydrophobicContact CB-CG 4.11Å; L315-R320 PolarHBondContact O-NE 3.05Å; L315-R320 PolarHBondContact O-NH2 3.3Å
316P86.8Confident89.1Confident67 Ų6760.5 Ų60.544%0.43532%0.316SS..  trans-49.1144.4172.9-28.436.7000112.7D318 D319 R320P316-D318 VanDerWaalsContact C-N 3.31Å; P316-D318 PolarHBondContact O-N 3.46Å; P316-D319 HydrophobicContact CB-CB 4.25Å; P316-D319 WeakPolarHBondContact CD-OD2 3.42Å; P316-D319 VanDerWaalsContact CG-OD2 3.31Å; P316-D319 WeakPolarHBondContact CG-OD2 3.26Å; P316-D319 PolarHBondContact O-N 3.2Å; P316-R320 PolarHBondContact O-N 3.41Å; P316-R320 PolarHBondContact O-NE 2.8Å
317E88.8Confident89.6Confident118 Ų11856.2 Ų56.255%0.55130%0.297SS*.Hα-helixtrans-59.5-48.4177.8-50.2-107.17300109.2D319 R320 E321E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 3.11Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 2.85Å; E317-R320 IonicContact OE1-CZ 3.2Å; E317-R320 IonicContact OE1-NH1 2.8Å; E317-R320 PolarHBondContact OE1-NH1 3.01Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.25Å; E317-E321 PolarHBondContact O-N 3.31Å
318D90.9Very high89.9Confident127 Ų12761.5 Ų61.568%0.67932%0.317SS*.Hα-helixtrans-50.7-44.4176.1-52.514.3000113.3P316 L322P316-D318 VanDerWaalsContact C-N 3.31Å; P316-D318 PolarHBondContact O-N 3.46Å; D318-L322 WeakPolarHBondContact O-CB 3.37Å; D318-L322 PolarHBondContact O-N 3.21Å
319D90.7Very high90Very high51 Ų5167.8 Ų67.827%0.27335%0.346SS..Hα-helixtrans-69.5-36.8179.3-73.8-28.2000111.7I222 P316 E317 F323I222-D319 WeakPolarHBondContact CD1-O 3.44Å; P316-D319 HydrophobicContact CB-CB 4.25Å; P316-D319 WeakPolarHBondContact CD-OD2 3.42Å; P316-D319 VanDerWaalsContact CG-OD2 3.31Å; P316-D319 WeakPolarHBondContact CG-OD2 3.26Å; P316-D319 PolarHBondContact O-N 3.2Å; E317-D319 VanDerWaalsContact C-N 3.33Å; E317-D319 PolarHBondContact O-N 3.11Å; D319-F323 WeakPolarHBondContact O-CB 3.36Å; D319-F323 PolarHBondContact O-N 2.68Å
320R90.3Very high89.9Confident63 Ų6368.4 Ų68.424%0.23835%0.349CS..Hα-helixtrans-71-39.8177.6-70.5-176.4-87110.9-13.3111.7L311 L315 P316 E317 E324L311-R320 HydrophobicContact CD1-CB 4.37Å; L311-R320 HydrophobicContact CD1-CG 3.95Å; L315-R320 HydrophobicContact CB-CG 4.11Å; L315-R320 PolarHBondContact O-NE 3.05Å; L315-R320 PolarHBondContact O-NH2 3.3Å; P316-R320 PolarHBondContact O-N 3.41Å; P316-R320 PolarHBondContact O-NE 2.8Å; E317-R320 WeakPolarHBondContact O-CB 3.47Å; E317-R320 PolarHBondContact O-N 2.85Å; E317-R320 IonicContact OE1-CZ 3.2Å; E317-R320 IonicContact OE1-NH1 2.8Å; E317-R320 PolarHBondContact OE1-NH1 3.01Å; E317-R320 IonicContact OE1-NH2 2.71Å; E317-R320 PolarHBondContact OE1-NH2 3.25Å; R320-E324 PolarHBondContact O-N 2.98Å
321E92.9Very high89.8Confident131 Ų13166.3 Ų66.361%0.61234%0.337SS*.Hα-helixtrans-69.4-46175.3-69.7-172.9176.900111.2E317 F323 E324 D325E317-E321 PolarHBondContact O-N 3.31Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 2.81Å; E321-E324 PolarHBondContact O-N 3.27Å; E321-E324 VanDerWaalsContact O-N 3.14Å; E321-D325 PolarHBondContact O-N 3.39Å
322L94.4Very high89.8Confident76 Ų7666.6 Ų66.640%0.39834%0.339SS..Hα-helixtrans-59.1-42175.6178.261.6000112I222 D318 D325 L326I222-L322 HydrophobicContact CB-CD2 4.29Å; I222-L322 HydrophobicContact CD1-CB 4.23Å; I222-L322 HydrophobicContact CD1-CD2 3.97Å; I222-L322 HydrophobicContact CD1-CG 4.04Å; I222-L322 HydrophobicContact CG1-CD2 4.05Å; D318-L322 WeakPolarHBondContact O-CB 3.37Å; D318-L322 PolarHBondContact O-N 3.21Å; L322-D325 PolarHBondContact O-N 3.23Å; L322-L326 HydrophobicContact CD1-CD1 4.07Å; L322-L326 HydrophobicContact CD1-CG 4.11Å; L322-L326 HydrophobicContact CG-CD1 4.02Å; L322-L326 HydrophobicContact CG-CG 4.47Å; L322-L326 WeakPolarHBondContact O-CB 3.23Å; L322-L326 VanDerWaalsContact O-CG 3.22Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.16Å
323F94.5Very high89.9Confident0 Ų066.1 Ų66.10%033%0.333CS..Hα-helixtrans-60.5-45.1174.5174.1-105.4000112.2I222 L248 I250 L269 Y293 L311 D319 E321 L326 L327I222-F323 HydrophobicContact CD1-CB 4.13Å; L248-F323 HydrophobicContact CD1-CD2 4.19Å; L248-F323 HydrophobicContact CD1-CE2 3.58Å; L248-F323 HydrophobicContact CD1-CZ 3.88Å; L248-F323 HydrophobicContact CD2-CD2 3.6Å; L248-F323 HydrophobicContact CD2-CE2 3.64Å; L248-F323 HydrophobicContact CG-CE2 4.2Å; I250-F323 HydrophobicContact CD1-CD2 3.91Å; I250-F323 HydrophobicContact CD1-CE2 4.03Å; L269-F323 HydrophobicContact CD1-CE2 3.91Å; Y293-F323 HydrophobicContact CD1-CE1 4.3Å; Y293-F323 AromaticContact CD2-CE1 3.85Å; Y293-F323 HydrophobicContact CD2-CE1 3.85Å; Y293-F323 HydrophobicContact CE1-CE1 4.28Å; Y293-F323 HydrophobicContact CE2-CD1 4.18Å; Y293-F323 AromaticContact CE2-CE1 3.82Å; Y293-F323 HydrophobicContact CE2-CE1 3.82Å; Y293-F323 HydrophobicContact CG-CE1 4.1Å; L311-F323 HydrophobicContact CD1-CB 4.4Å; L311-F323 HydrophobicContact CD1-CD1 3.66Å; L311-F323 HydrophobicContact CD1-CE1 4.23Å; L311-F323 HydrophobicContact CD1-CG 4.2Å; L311-F323 HydrophobicContact CG-CD1 4.48Å; D319-F323 WeakPolarHBondContact O-CB 3.36Å; D319-F323 PolarHBondContact O-N 2.68Å; E321-F323 VanDerWaalsContact C-N 3.33Å; E321-F323 PolarHBondContact O-N 2.81Å; F323-L326 PolarHBondContact O-N 3.33Å; F323-L327 HydrophobicContact CD1-CD1 4.16Å; F323-L327 HydrophobicContact CE1-CD1 3.46Å; F323-L327 VanDerWaalsContact CE1-CD1 3.46Å; F323-L327 HydrophobicContact CE1-CG 4.21Å; F323-L327 HydrophobicContact CE2-CD1 4.19Å; F323-L327 HydrophobicContact CE2-CD2 4.46Å; F323-L327 HydrophobicContact CE2-CG 4.16Å; F323-L327 HydrophobicContact CZ-CD1 3.49Å; F323-L327 VanDerWaalsContact CZ-CD1 3.49Å; F323-L327 HydrophobicContact CZ-CD2 4.38Å; F323-L327 HydrophobicContact CZ-CG 3.97Å; F323-L327 WeakPolarHBondContact O-CG 3.43Å; F323-L327 PolarHBondContact O-N 2.65Å
324E93.4Very high90.1Very high30 Ų3067.2 Ų67.214%0.1432%0.321CS..Hα-helixtrans-66.6-41.4179.2-172.6169162.400112K287 Y293 R320 E321 L327 R328 L333K287-E324 IonicContact NZ-OE1 2.71Å; K287-E324 PolarHBondContact NZ-OE1 2.94Å; K287-E324 IonicContact NZ-OE2 2.6Å; K287-E324 PolarHBondContact NZ-OE2 3.29Å; Y293-E324 HydrophobicContact CE1-CG 4.44Å; Y293-E324 PolarHBondContact OH-OE2 3.16Å; Y293-E324 VanDerWaalsContact OH-OE2 3.07Å; R320-E324 PolarHBondContact O-N 2.98Å; E321-E324 PolarHBondContact O-N 3.27Å; E321-E324 VanDerWaalsContact O-N 3.14Å; E324-L327 WeakPolarHBondContact O-CB 3.35Å; E324-L327 PolarHBondContact O-N 3.12Å; E324-R328 VanDerWaalsContact O-CG 3.26Å; E324-R328 WeakPolarHBondContact O-CG 2.98Å; E324-R328 PolarHBondContact O-N 3.04Å; E324-R328 IonicContact OE1-CZ 2.57Å; E324-R328 IonicContact OE1-NE 3.42Å; E324-R328 PolarHBondContact OE1-NE 3.47Å; E324-R328 IonicContact OE1-NH2 3.41Å; E324-R328 PolarHBondContact OE1-NH2 3.48Å; E324-L333 HydrophobicContact CG-CD2 3.97Å
325D94.1Very high90.4Very high88 Ų8863.7 Ų63.747%0.47131%0.307SS..Hα-helixtrans-66.5-37.3176.4-91.4-1.2000112.6E321 L322 R328 Q329E321-D325 PolarHBondContact O-N 3.39Å; L322-D325 PolarHBondContact O-N 3.23Å; D325-R328 WeakPolarHBondContact O-CB 3.45Å; D325-R328 PolarHBondContact O-N 2.92Å; D325-Q329 VanDerWaalsContact O-CG 3.29Å; D325-Q329 WeakPolarHBondContact O-CG 3.48Å; D325-Q329 PolarHBondContact O-N 3.33Å
326L94.5Very high89.9Confident13 Ų1366.9 Ų66.97%0.06832%0.321CS..Hα-helixtrans-65.2-39.2172.2-72.5172.6000111.8L221 I222 I250 L322 F323 Q329 M330L221-L326 HydrophobicContact CB-CD1 3.79Å; L221-L326 HydrophobicContact CB-CD2 3.92Å; L221-L326 HydrophobicContact CD1-CD2 3.75Å; L221-L326 HydrophobicContact CG-CD2 4.48Å; I222-L326 HydrophobicContact CB-CD1 3.79Å; I222-L326 HydrophobicContact CG2-CD1 3.69Å; I250-L326 HydrophobicContact CD1-CB 3.65Å; I250-L326 HydrophobicContact CD1-CD1 4.23Å; L322-L326 HydrophobicContact CD1-CD1 4.07Å; L322-L326 HydrophobicContact CD1-CG 4.11Å; L322-L326 HydrophobicContact CG-CD1 4.02Å; L322-L326 HydrophobicContact CG-CG 4.47Å; L322-L326 WeakPolarHBondContact O-CB 3.23Å; L322-L326 VanDerWaalsContact O-CG 3.22Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.16Å; F323-L326 PolarHBondContact O-N 3.33Å; L326-Q329 PolarHBondContact O-N 2.86Å; L326-M330 WeakPolarHBondContact O-CB 3.45Å; L326-M330 WeakPolarHBondContact O-CG 3.45Å; L326-M330 PolarHBondContact O-N 3.28Å
327L92.7Very high88.5Confident0 Ų066.6 Ų66.60%032%0.324CS..Hα-helixtrans-63.2-42.7170.3-74.4-176.6000111.8L278 V285 Y293 F295 F323 E324 Q329 M330 S331 L333L278-L327 HydrophobicContact CD2-CD2 3.94Å; V285-L327 HydrophobicContact CG1-CD1 4.35Å; Y293-L327 HydrophobicContact CD1-CD1 3.7Å; Y293-L327 HydrophobicContact CE1-CD1 4.01Å; Y293-L327 HydrophobicContact CG-CD1 4.34Å; F295-L327 HydrophobicContact CE1-CD2 4.14Å; F295-L327 HydrophobicContact CZ-CD1 4.18Å; F295-L327 HydrophobicContact CZ-CD2 4.29Å; F323-L327 HydrophobicContact CD1-CD1 4.16Å; F323-L327 HydrophobicContact CE1-CD1 3.46Å; F323-L327 VanDerWaalsContact CE1-CD1 3.46Å; F323-L327 HydrophobicContact CE1-CG 4.21Å; F323-L327 HydrophobicContact CE2-CD1 4.19Å; F323-L327 HydrophobicContact CE2-CD2 4.46Å; F323-L327 HydrophobicContact CE2-CG 4.16Å; F323-L327 HydrophobicContact CZ-CD1 3.49Å; F323-L327 VanDerWaalsContact CZ-CD1 3.49Å; F323-L327 HydrophobicContact CZ-CD2 4.38Å; F323-L327 HydrophobicContact CZ-CG 3.97Å; F323-L327 WeakPolarHBondContact O-CG 3.43Å; F323-L327 PolarHBondContact O-N 2.65Å; E324-L327 WeakPolarHBondContact O-CB 3.35Å; E324-L327 PolarHBondContact O-N 3.12Å; L327-Q329 VanDerWaalsContact C-N 3.27Å; L327-Q329 PolarHBondContact O-N 3.12Å; L327-M330 PolarHBondContact O-N 2.67Å; L327-S331 WeakPolarHBondContact O-CB 3.39Å; L327-S331 PolarHBondContact O-N 3.14Å; L327-S331 PolarHBondContact O-OG 2.77Å; L327-L333 HydrophobicContact CB-CD2 4.22Å; L327-L333 HydrophobicContact CD1-CD1 4.46Å
328R92.9Very high86.4Confident112 Ų11265.8 Ų65.842%0.42332%0.324SS..Hα-helixtrans-60.8-34.3176.5-71.9169.9-179.8-70.5-3.5112.8E324 D325 L333E324-R328 VanDerWaalsContact O-CG 3.26Å; E324-R328 WeakPolarHBondContact O-CG 2.98Å; E324-R328 PolarHBondContact O-N 3.04Å; E324-R328 IonicContact OE1-CZ 2.57Å; E324-R328 IonicContact OE1-NE 3.42Å; E324-R328 PolarHBondContact OE1-NE 3.47Å; E324-R328 IonicContact OE1-NH2 3.41Å; E324-R328 PolarHBondContact OE1-NH2 3.48Å; D325-R328 WeakPolarHBondContact O-CB 3.45Å; D325-R328 PolarHBondContact O-N 2.92Å; R328-L333 HydrophobicContact CG-CD2 3.59Å
329Q91.3Very high83.8Confident131 Ų13169.6 Ų69.661%0.61233%0.329SS*.Hα-helixtrans-81.6-27.6178.4-69.9173.530.900113.5D325 L326 L327D325-Q329 VanDerWaalsContact O-CG 3.29Å; D325-Q329 WeakPolarHBondContact O-CG 3.48Å; D325-Q329 PolarHBondContact O-N 3.33Å; L326-Q329 PolarHBondContact O-N 2.86Å; L327-Q329 VanDerWaalsContact C-N 3.27Å; L327-Q329 PolarHBondContact O-N 3.12Å
330M87.8Confident81.2Confident14 Ų1474.2 Ų74.27%0.06935%0.353CS..Hα-helixtrans-118.911-170.3-55.2-17265.400114.7L221 I250 R252 L278 V279 L326 L327L221-M330 HydrophobicContact CD1-SD 3.68Å; I250-M330 HydrophobicContact CG2-SD 4.03Å; R252-M330 HydrophobicContact CB-CE 4.25Å; R252-M330 HydrophobicContact CG-CE 4.33Å; L278-M330 CarbonylContact C-O 3.6Å; L278-M330 HydrophobicContact CB-CB 3.96Å; L278-M330 HydrophobicContact CB-CE 4.26Å; L278-M330 HydrophobicContact CD1-CB 4.32Å; V279-M330 CarbonylContact C-O 3.55Å; V279-M330 PolarHBondContact N-O 2.78Å; L326-M330 WeakPolarHBondContact O-CB 3.45Å; L326-M330 WeakPolarHBondContact O-CG 3.45Å; L326-M330 PolarHBondContact O-N 3.28Å; L327-M330 PolarHBondContact O-N 2.67Å
331S88.2Confident78.6Confident4 Ų482.3 Ų82.33%0.02838%0.384CS..SBendtrans-155.5163.1-178.678.80000113.1S283 V285 L327 L333S283-S331 CarbonylContact O-C 3.41Å; S283-S331 VanDerWaalsContact O-CB 3.28Å; S283-S331 WeakPolarHBondContact O-CB 3.3Å; V285-S331 WeakPolarHBondContact CG2-OG 3.24Å; L327-S331 WeakPolarHBondContact O-CB 3.39Å; L327-S331 PolarHBondContact O-N 3.14Å; L327-S331 PolarHBondContact O-OG 2.77Å; S331-L333 PolarHBondContact O-N 3.25Å
332D88.7Confident75.8Confident30 Ų3080 Ų8016%0.1639%0.387CS..EExtended strand (participates in β ladder)trans-76.469.7164.9170.629.4000108.7S283 V285 R334 K422S283-D332 PolarHBondContact O-N 3.42Å; V285-D332 PolarHBondContact N-O 2.87Å; D332-R334 VanDerWaalsContact CG-NE 3.27Å; D332-R334 VanDerWaalsContact CG-NH2 3.29Å; D332-R334 PolarHBondContact O-N 3.43Å; D332-R334 IonicContact OD1-CZ 3.53Å; D332-R334 VanDerWaalsContact OD1-CZ 3.26Å; D332-R334 IonicContact OD1-NE 3.33Å; D332-R334 PolarHBondContact OD1-NE 3.35Å; D332-R334 IonicContact OD1-NH2 3.45Å; D332-R334 PolarHBondContact OD1-NH2 2.9Å; D332-R334 IonicContact OD2-CZ 2.89Å; D332-R334 VanDerWaalsContact OD2-CZ 3.3Å; D332-R334 IonicContact OD2-NE 3.2Å; D332-R334 PolarHBondContact OD2-NE 2.99Å; D332-R334 IonicContact OD2-NH2 3.41Å; D332-R334 PolarHBondContact OD2-NH2 3.42Å; D332-K422 IonicContact OD2-NZ 3.33Å; D332-K422 PolarHBondContact OD2-NZ 3.49Å; D332-K422 VanDerWaalsContact OD2-NZ 3.07Å
333L89.2Confident72.9Confident24 Ų2485 Ų8513%0.12641%0.409CS..EExtended strand (participates in β ladder)trans-76.7113.6178.6-176.669.2000111.1V285 K287 Y293 E324 L327 R328 S331V285-L333 HydrophobicContact CB-CD1 3.73Å; V285-L333 HydrophobicContact CG1-CD1 3.59Å; V285-L333 WeakPolarHBondContact O-CA 3.41Å; K287-L333 HydrophobicContact CB-CD1 4.33Å; Y293-L333 HydrophobicContact CD1-CD1 4.22Å; E324-L333 HydrophobicContact CG-CD2 3.97Å; L327-L333 HydrophobicContact CB-CD2 4.22Å; L327-L333 HydrophobicContact CD1-CD1 4.46Å; R328-L333 HydrophobicContact CG-CD2 3.59Å; S331-L333 PolarHBondContact O-N 3.25Å
334R86.2Confident70Confident133 Ų13394.1 Ų94.150%0.50245%0.451SS..EExtended strand (participates in β ladder)trans-107.4146.2177.4-56.5-176-174.9-131.1-9.2110.5V285 L286 K287 D332 K422V285-R334 PolarHBondContact O-N 3.06Å; L286-R334 WeakPolarHBondContact CA-O 3.49Å; L286-R334 HydrophobicContact CD1-CB 4.25Å; K287-R334 PolarHBondContact N-O 3.24Å; D332-R334 VanDerWaalsContact CG-NE 3.27Å; D332-R334 VanDerWaalsContact CG-NH2 3.29Å; D332-R334 PolarHBondContact O-N 3.43Å; D332-R334 IonicContact OD1-CZ 3.53Å; D332-R334 VanDerWaalsContact OD1-CZ 3.26Å; D332-R334 IonicContact OD1-NE 3.33Å; D332-R334 PolarHBondContact OD1-NE 3.35Å; D332-R334 IonicContact OD1-NH2 3.45Å; D332-R334 PolarHBondContact OD1-NH2 2.9Å; D332-R334 IonicContact OD2-CZ 2.89Å; D332-R334 VanDerWaalsContact OD2-CZ 3.3Å; D332-R334 IonicContact OD2-NE 3.2Å; D332-R334 PolarHBondContact OD2-NE 2.99Å; D332-R334 IonicContact OD2-NH2 3.41Å; D332-R334 PolarHBondContact OD2-NH2 3.42Å; R334-K422 VanDerWaalsContact NH2-NZ 3.2Å
335L85.2Confident67.2Low106 Ų106102.1 Ų102.156%0.55549%0.489SS*.EExtended strand (participates in β ladder)trans-93.7136.6170.9-60-180000109.5K287 A337K287-L335 HydrophobicContact CB-CD2 3.99Å; K287-L335 HydrophobicContact CD-CD2 3.97Å; K287-L335 HydrophobicContact CG-CD2 4.38Å; L335-A337 PolarHBondContact O-N 2.96Å; L335-A337 VanDerWaalsContact O-N 3.12Å
336Q74.1Confident64.2Low86 Ų86104.9 Ų104.940%0.40250%0.503SS..  trans-67.6108.3170.3-174.4-179.316.900109.5L286 K287 T289 N338L286-Q336 HydrophobicContact CD1-CB 4.1Å; K287-Q336 WeakPolarHBondContact O-CB 3.28Å; K287-Q336 PolarHBondContact O-N 3.48Å; T289-Q336 HydrophobicContact CG2-CB 4.32Å; T289-Q336 HydrophobicContact CG2-CG 4.32Å; Q336-N338 PolarHBondContact O-N 3.43Å
337A58.7Low61.3Low61 Ų61112.8 Ų112.850%0.50454%0.54SS..  trans-61.3129.4175.600000110.5L335 W339L335-A337 PolarHBondContact O-N 2.96Å; L335-A337 VanDerWaalsContact O-N 3.12Å; A337-W339 VanDerWaalsContact O-CD1 3.23Å; A337-W339 PolarHBondContact O-N 3.33Å
338N43.9Very low58.3Low101 Ų101120.6 Ų120.654%0.5457%0.574SS.*  trans-79.698172.7-178.412000109.4Q336 N340Q336-N338 PolarHBondContact O-N 3.43Å; N338-N340 PolarHBondContact O-N 2.9Å; N338-N340 WeakPolarHBondContact OD1-CB 3.29Å; N338-N340 PolarHBondContact OD1-N 2.83Å; N338-N340 VanDerWaalsContact OD1-N 3.1Å
339W35.2Very low55.4Low207 Ų207124.8 Ų124.878%0.78460%0.598SS**  trans-66.2-18.5178.3-6395.4000113.2A337 R341A337-W339 VanDerWaalsContact O-CD1 3.23Å; A337-W339 PolarHBondContact O-N 3.33Å; W339-R341 PolarHBondContact O-N 3.33Å
340N36.5Very low52.6Low148 Ų148125.9 Ų125.979%0.79161%0.607SS**THydrogen-bonded Turntrans-81.742-174.9-55-0.8000112.7N338N338-N340 PolarHBondContact O-N 2.9Å; N338-N340 WeakPolarHBondContact OD1-CB 3.29Å; N338-N340 PolarHBondContact OD1-N 2.83Å; N338-N340 VanDerWaalsContact OD1-N 3.1Å
341R35.6Very low49.9Very low234 Ų234131.5 Ų131.588%0.88364%0.644SS**THydrogen-bonded Turntrans-149.126.4173.4-153.3-175-110.9-116.40.2113.2W339W339-R341 PolarHBondContact O-N 3.33Å
342A33.8Very low47.2Very low82 Ų82134.8 Ų134.868%0.67868%0.679SS**SBendtrans-120.1-1.6-178.400000114.5
343E35Very low44.6Very low181 Ų181145.2 Ų145.285%0.84672%0.716SS**SBendtrans-114.3-2.5-171.7-59.9-162.2137.500115.1
344E33.3Very low42Very low192 Ų192150.1 Ų150.190%0.89775%0.747SS**SBendtrans-102.2-12.7179.2-66.8-168.113900114.8N346E344-N346 PolarHBondContact O-N 3.41Å
345E34.5Very low39.4Very low198 Ų198155.1 Ų155.193%0.92577%0.766SS**  trans-96.456.5172.9-71.7-171-172.200112
346N30.6Very low37Very low145 Ų145155.1 Ų155.178%0.77577%0.773SS**  trans-113.239172.7-162.210.2000112E344 F348E344-N346 PolarHBondContact O-N 3.41Å; N346-F348 PolarHBondContact O-N 2.97Å
347E33Very low35Very low179 Ų179155.9 Ų155.984%0.83679%0.788SS**  trans-88.596.3176.7-163.2176.5175.500111.8
348F30.5Very low34.1Very low165 Ų165158.2 Ų158.272%0.72480%0.8SS**  trans28.3108.1152.2-67.3-93.7000119N346N346-F348 PolarHBondContact O-N 2.97Å
349Q31.3Very low33.9Very low199 Ų199159.4 Ų159.493%0.9381%0.807SS**  -155.9141.6121.1-111.7143.9106.100114.5
350I32.8Very low34.1Very low155 Ų155157 Ų15780%0.79580%0.804SS**  trans-91.6137.9-171.7-62170000109.7G352I350-G352 PolarHBondContact O-N 3.25Å
351P30.5Very low34.2Very low131 Ų131156 Ų15685%0.85180%0.798SS**SBendtrans-69.7123.8-178-17.230.8000112.7
352G33Very low34.4Very low74 Ų74152.4 Ų152.476%0.76379%0.789SS**  trans139.868.2156.500000118.6I350I350-G352 PolarHBondContact O-N 3.25Å
353R34.4Very low34.6Very low248 Ų248155.6 Ų155.694%0.93679%0.79SS**  trans-149.6155.1147.8-124.3173.4-175.2-171.20.1114.9
354T34.2Very low34.8Very low127 Ų127151.5 Ų151.578%0.77979%0.787SS**  trans-69.2138.9-168.546.60000115.6
355R31.1Very low35Very low238 Ų238148 Ų14890%0.89878%0.783SS**  14.6154.8124.7-88.4-172-174.2179.13.4119.4
356P34.8Very low35.2Very low107 Ų107141.2 Ų141.270%0.69577%0.767SS**  cis-146172.419.339.9-19.3000119.5
357S32.7Very low35.6Very low102 Ų102140.8 Ų140.871%0.71377%0.77SS**  trans54.7121137.962.90000124.4
358S38.6Very low35.9Very low110 Ų110138.8 Ų138.877%0.76977%0.765SS**  trans160.6145.8130.1-74.30000109.2
359D39.7Very low36.2Very low125 Ų125135.6 Ų135.667%0.66876%0.759SS**  cis-159.8161.4-5.8-132.5-41.2000111.6
360Q39.3Very low36.5Very low157 Ų157134.9 Ų134.973%0.73475%0.753SS**  trans63.3148.2157-73.2174.996.500119
361L39.4Very low36.5Very low128 Ų128135.7 Ų135.767%0.6775%0.753SS**  cis-153.9140.77.2-112.3154.7000110.9
362K39Very low36.8Very low157 Ų157136.5 Ų136.568%0.68375%0.749SS**  trans34.7149141.2-77-179.4169.7-133.60122.6
363E38.2Very low37.1Very low149 Ų149138.7 Ų138.770%0.69674%0.744SS**  cis-158.7168.76.3-135.9149.2-162.900114
364A39.2Very low37.2Very low95 Ų95134.9 Ų134.979%0.78574%0.737SS**  trans-9.4161.8163.500000122.1
365S38.1Very low37.3Very low118 Ų118132.3 Ų132.383%0.82574%0.735SS**  cis175.5164.9-13.8-1740000107
366G39Very low37.6Very low57 Ų57127.8 Ų127.859%0.58873%0.729SS**  cis143.5163.4-2.100000112
367T39Very low37.8Very low136 Ų136130.8 Ų130.883%0.83473%0.731SS**  trans64.6151.3169.535.10000119
368D38.1Very low38Very low136 Ų136133.1 Ų133.173%0.72774%0.736SS**  cis-164.6149.9-18.6-146.822.9000114.7
369V37.5Very low38.1Very low98 Ų98134.6 Ų134.659%0.59474%0.739SS**  trans58.8148.9137.6157.60000125.9
370K36.9Very low37.7Very low184 Ų184139.6 Ų139.680%0.875%0.749SS**  trans79130.3171.4-74.2146.4-167.8167.20117.9
371Q34.9Very low37.7Very low172 Ų172141.5 Ų141.580%0.80476%0.757SS**  cis87.9107.114.7-163.1-166.66.200117.8
372L36.7Very low37.5Very low148 Ų148145.2 Ų145.278%0.77577%0.768SS**  trans-172.8143.2132.7-128.673.9000113.6
373D37.8Very low37.5Very low121 Ų121141.2 Ų141.265%0.64777%0.771SS**  trans33.6160.3132.3-81.612.7000124.9
374Q37Very low37.4Very low168 Ų168143.7 Ų143.779%0.78578%0.78SS**  cis-175159.2-30.8-121.3-173.281.900109.4
375G35.8Very low37.3Very low73 Ų73150.9 Ų150.975%0.75379%0.786SS**  trans94.1157157.100000118.3
376N38.5Very low37.4Very low142 Ų142148.9 Ų148.976%0.75978%0.784SS**  172.2154.9-62.5-178.614000109.8
377K38.3Very low37.6Very low171 Ų171155.1 Ų155.174%0.74380%0.795SS**  trans92.7110.3162.7-54-175.6-179.3175.10121.3
378D36.1Very low37.3Very low151 Ų151159.9 Ų159.981%0.80780%0.798SS**  27.6143.4126.5-70.7-70.5000123.7
379V40.5Very low37.2Very low140 Ų140157.7 Ų157.785%0.84880%0.799SS**  -173.6144.5107.9144.30000112.7
380R32.5Very low37.2Very low230 Ų230161.4 Ų161.487%0.86881%0.807SS**  trans-93.9160.2172.2-73.6174.3159.4-179.5-4.3112.1
381H39.5Very low37.1Very low197 Ų197158.5 Ų158.591%0.91280%0.8SS**  trans-157170.7137.3-119.9-85.9000115.4
382K34.4Very low37Very low207 Ų207156.6 Ų156.690%0.980%0.8SS**  trans-120.3151.1-166.9-83.2179170.3174.70115.1
383G38.7Very low36.7Very low72 Ų72155 Ų15574%0.74280%0.802SS**  trans153.5168.3143.500000116.4
384K37.5Very low36.7Very low202 Ų202155 Ų15588%0.87881%0.811SS**  cis-172.8126-36.8-132.3-179.1-179.5176.70112.1
385R35.4Very low36.3Very low245 Ų245156 Ų15693%0.92582%0.816SS**  trans71.4120.9138.1-171.8-165.7-166.4-169.46.7123.1
386G40.7Very low36.2Very low76 Ų76161.1 Ų161.178%0.78482%0.82SS**  trans157.315913700000116.2
387K43.1Very low35.8Very low188 Ų188160.4 Ų160.482%0.81782%0.821SS**  cis-172.6105.6-23.1-180-167.1172.4-170.40112.7
388R33.7Very low35.3Very low237 Ų237158 Ų15889%0.89482%0.816SS**  trans62.2161.5156.3-69.1-170.8175.5-144.4-2.7118.6
389A35.2Very low35Very low90 Ų90159 Ų15974%0.74482%0.821SS**  cis-175.1167.1-26.400000110.1
390K37.9Very low34.6Very low176 Ų176155.9 Ų155.977%0.76581%0.805SS**  trans133.4123.8141.5-162.5176.4-176.8-174.40115.5
391D34.3Very low34.5Very low122 Ų122153.2 Ų153.265%0.65280%0.802SS**  trans20.7146.3147.2-29.8-25.5000120
392T33.4Very low34.1Very low132 Ų132151.2 Ų151.281%0.8180%0.797SS**  cis-164156.823.8-23.40000112
393S31.2Very low33.9Very low115 Ų115147 Ų14780%0.80479%0.787SS**  trans47.2103.8147.5-177.30000121.2
394S37Very low33.3Very low121 Ų121149.2 Ų149.285%0.84679%0.789SS**  -158.6158.5119.1-159.50000110.7
395E29.5Very low32.7Very low189 Ų189145.5 Ų145.588%0.88379%0.787SS**  trans-106.7102.2-175.9-175.7177.1175.300110.2
396E31.9Very low32.3Very low180 Ų180141.9 Ų141.984%0.84178%0.781SS**  trans-146.2122.7176.6-165.8167-148.800111.1N398E396-N398 PolarHBondContact O-N 3.02Å; E396-N398 VanDerWaalsContact O-N 3.13Å
397V30.5Very low31.7Very low128 Ų128144.1 Ų144.178%0.77678%0.781SS**  trans-85.289.8-169.9-177.70000110.6L399V397-L399 PolarHBondContact O-N 3.37Å
398N27.7Very low31.1Very low120 Ų120141.3 Ų141.364%0.64278%0.78SS**  trans-87.6104.6-175.3-165.6-30.6000112.7E396 S400E396-N398 PolarHBondContact O-N 3.02Å; E396-N398 VanDerWaalsContact O-N 3.13Å; N398-S400 PolarHBondContact O-N 3.34Å; N398-S400 VanDerWaalsContact OD1-CB 3.25Å; N398-S400 WeakPolarHBondContact OD1-CB 3.38Å; N398-S400 PolarHBondContact OD1-N 2.85Å; N398-S400 PolarHBondContact OD1-OG 2.88Å
399L30.1Very low30.9Very low172 Ų172135.4 Ų135.490%0.90177%0.772SS**  trans-80.737.2-177-74.7164.6000114.5V397V397-L399 PolarHBondContact O-N 3.37Å
400S31.4Very low30.6Very low74 Ų74140.3 Ų140.352%0.51778%0.78SS.*  trans-103.89.2-173.958.20000115.8N398 I402N398-S400 PolarHBondContact O-N 3.34Å; N398-S400 VanDerWaalsContact OD1-CB 3.25Å; N398-S400 WeakPolarHBondContact OD1-CB 3.38Å; N398-S400 PolarHBondContact OD1-N 2.85Å; N398-S400 PolarHBondContact OD1-OG 2.88Å; S400-I402 VanDerWaalsContact C-N 3.31Å; S400-I402 PolarHBondContact O-N 2.9Å
401H31.4Very low30.4Very low175 Ų175138.2 Ų138.281%0.8177%0.773SS**  trans-76.978.5178.8-85.3-133.4000112.4V403H401-V403 PolarHBondContact O-N 2.89Å; H401-V403 VanDerWaalsContact O-N 3.17Å
402I30.6Very low30.4Very low155 Ų155141 Ų14180%0.79578%0.779SS**  trans-61.8111.2163.8-62170.4000107.9S400 P404S400-I402 VanDerWaalsContact C-N 3.31Å; S400-I402 PolarHBondContact O-N 2.9Å; I402-P404 WeakPolarHBondContact O-CD 3.31Å
403V30.3Very low30.7Very low117 Ų117141.1 Ų141.171%0.70978%0.782SS**  trans-78.5120.4171.2178.80000108.1H401 C405H401-V403 PolarHBondContact O-N 2.89Å; H401-V403 VanDerWaalsContact O-N 3.17Å; V403-C405 PolarHBondContact O-N 2.93Å; V403-C405 VanDerWaalsContact O-N 3.15Å
404P25.8Very low31.3Very low119 Ų119140.4 Ų140.477%0.77376%0.764SS**  trans-71109.9175.4-15.531000109.9I402 E406I402-P404 WeakPolarHBondContact O-CD 3.31Å; P404-E406 PolarHBondContact O-N 2.89Å
405C26.4Very low32Very low125 Ų125141.8 Ų141.885%0.84576%0.757SS**  trans-77.4104.6167.5-75.50000109.6V403V403-C405 PolarHBondContact O-N 2.93Å; V403-C405 VanDerWaalsContact O-N 3.15Å
406E27Very low33.3Very low168 Ų168134.7 Ų134.779%0.78573%0.725SS**  trans-60.9140.7169.4-168.2170.6-149.700110.5P404 V408P404-E406 PolarHBondContact O-N 2.89Å; E406-V408 PolarHBondContact O-N 2.99Å
407P27.7Very low34.9Very low123 Ų123126.7 Ų126.780%0.79969%0.689SS**  trans-71.797.2179.428.6-34.1000110.8
408V30.3Very low36.8Very low129 Ų129126.9 Ų126.978%0.78268%0.681SS**  trans-70.4139.2176.2178.50000109.8E406E406-V408 PolarHBondContact O-N 2.99Å
409P30.4Very low39Very low114 Ų114128 Ų12874%0.7468%0.677SS**  trans-70.1161.6-161.5-21.334.5000115.4E411P409-E411 PolarHBondContact O-N 3.3Å; P409-E411 VanDerWaalsContact O-N 3.17Å
410E28.6Very low41Very low192 Ų192119.8 Ų119.890%0.89763%0.634SS**  trans-55.5114.6172.7-60.1-175.5154.100111.7K412E410-K412 PolarHBondContact O-N 3.45Å
411E34Very low43Very low132 Ų132120.8 Ų120.862%0.61763%0.63SS**  trans-65.9116.9158.6-83.8-161.1155.200107.5P409 K414 K514P409-E411 PolarHBondContact O-N 3.3Å; P409-E411 VanDerWaalsContact O-N 3.17Å; E411-K414 WeakPolarHBondContact OE2-CE 3.49Å; E411-K414 IonicContact OE2-NZ 2.75Å; E411-K414 PolarHBondContact OE2-NZ 3.1Å; E411-K514 IonicContact OE1-NZ 3.73Å; E411-K514 IonicContact OE2-NZ 3.22Å; E411-K514 PolarHBondContact OE2-NZ 3.08Å
412K33.9Very low45Very low182 Ų182116.2 Ų116.279%0.79161%0.608SS**  trans-36.3145.3176.5-67.7-178176.4-175.10113.2E410 K414E410-K412 PolarHBondContact O-N 3.45Å; K412-K414 PolarHBondContact O-N 2.84Å; K412-K414 VanDerWaalsContact O-N 3.15Å
413P38.4Very low47Very low133 Ų133111.6 Ų111.686%0.86459%0.587SS**  trans-51.5124.4-179.222.1-34000110.1
414K45.3Very low48.7Very low101 Ų101106.2 Ų106.244%0.43956%0.555SS.*  trans-91.1130.1171.5-60174.1-166.465.30105.9E411 K412 L416E411-K414 WeakPolarHBondContact OE2-CE 3.49Å; E411-K414 IonicContact OE2-NZ 2.75Å; E411-K414 PolarHBondContact OE2-NZ 3.1Å; K412-K414 PolarHBondContact O-N 2.84Å; K412-K414 VanDerWaalsContact O-N 3.15Å; K414-L416 VanDerWaalsContact C-N 3.3Å; K414-L416 PolarHBondContact O-N 2.92Å
415E51.8Low50.8Low149 Ų149102.2 Ų102.270%0.69653%0.526SS*.  trans-69.193.9172.2-68.4176-145.600108.5
416L55.8Low53.1Low41 Ų4199.7 Ų99.722%0.21550%0.504CS..  trans-70.6151.4171.6-67.7173.2000109K414 E418 E421 D536 V540K414-L416 VanDerWaalsContact C-N 3.3Å; K414-L416 PolarHBondContact O-N 2.92Å; L416-E418 PolarHBondContact O-N 3.12Å; L416-E421 HydrophobicContact CB-CG 3.97Å; L416-E421 HydrophobicContact CD1-CG 4.15Å; L416-E421 WeakPolarHBondContact CD1-OE1 3.39Å; L416-D536 HydrophobicContact CD2-CB 4.04Å; L416-V540 HydrophobicContact CD1-CG2 3.83Å; L416-V540 HydrophobicContact CD2-CG2 3.84Å; L416-V540 HydrophobicContact CG-CG2 4.48Å
417P65.6Low55.1Low12 Ų1294.5 Ų94.58%0.07848%0.481CS..  trans-72.411917329.2-30.9000109.1W419 S420P417-W419 PolarHBondContact O-N 2.67Å; P417-S420 WeakPolarHBondContact O-CB 3.48Å; P417-S420 PolarHBondContact O-N 3.49Å; P417-S420 PolarHBondContact O-OG 2.93Å
418E70.1Confident57.1Low131 Ų13190.2 Ų90.261%0.61245%0.451SS*.Hα-helixtrans-51.1-32.3-171.2-66.9144.8-122.300114.5L416 S420 E421 K422 K532L416-E418 PolarHBondContact O-N 3.12Å; E418-S420 PolarHBondContact O-N 2.96Å; E418-E421 PolarHBondContact O-N 2.74Å; E418-K422 PolarHBondContact O-N 3.05Å; E418-K532 IonicContact OE1-NZ 2.97Å; E418-K532 PolarHBondContact OE1-NZ 2.94Å
419W74.3Confident58.9Low144 Ų14485.6 Ų85.655%0.54542%0.424SS..Hα-helixtrans-59.3-36.717575-101.9000112.2P417 K422 V423 V541P417-W419 PolarHBondContact O-N 2.67Å; W419-K422 PolarHBondContact O-N 3.36Å; W419-V423 HydrophobicContact CE3-CG2 4.23Å; W419-V423 WeakPolarHBondContact O-CB 3.25Å; W419-V423 VanDerWaalsContact O-CG2 3.31Å; W419-V423 WeakPolarHBondContact O-CG2 3.41Å; W419-V423 PolarHBondContact O-N 3.12Å; W419-V541 HydrophobicContact CZ3-CG2 4.12Å
420S71.5Confident60.7Low0 Ų081.6 Ų81.60%040%0.404CS..Hα-helixtrans-73.6-36.8-178.869.80000111.6P417 E418 A424 G537P417-S420 WeakPolarHBondContact O-CB 3.48Å; P417-S420 PolarHBondContact O-N 3.49Å; P417-S420 PolarHBondContact O-OG 2.93Å; E418-S420 PolarHBondContact O-N 2.96Å; S420-A424 WeakPolarHBondContact O-CB 3.38Å; S420-A424 PolarHBondContact O-N 3.01Å; S420-G537 WeakPolarHBondContact CB-O 3.4Å; S420-G537 VanDerWaalsContact OG-CA 3.31Å; S420-G537 WeakPolarHBondContact OG-CA 3.5Å
421E73.8Confident62.7Low94 Ų9472.9 Ų72.944%0.43937%0.365SS..Hα-helixtrans-65.8-42.7172.4-62.2-170.3144.900110.5L416 E418 H425L416-E421 HydrophobicContact CB-CG 3.97Å; L416-E421 HydrophobicContact CD1-CG 4.15Å; L416-E421 WeakPolarHBondContact CD1-OE1 3.39Å; E418-E421 PolarHBondContact O-N 2.74Å; E421-H425 WeakPolarHBondContact O-CB 3.36Å; E421-H425 PolarHBondContact O-N 3.38Å
422K73.4Confident64.4Low79 Ų7967.7 Ų67.734%0.34334%0.343SS..Hα-helixtrans-65.6-42.2176.7-171.9154.6-175.6150.80112.7D332 R334 E418 W419 H425 N426D332-K422 IonicContact OD2-NZ 3.33Å; D332-K422 PolarHBondContact OD2-NZ 3.49Å; D332-K422 VanDerWaalsContact OD2-NZ 3.07Å; R334-K422 VanDerWaalsContact NH2-NZ 3.2Å; E418-K422 PolarHBondContact O-N 3.05Å; W419-K422 PolarHBondContact O-N 3.36Å; K422-H425 PolarHBondContact O-N 3.39Å; K422-N426 WeakPolarHBondContact O-CB 3.33Å; K422-N426 PolarHBondContact O-N 3.33Å; K422-N426 PolarHBondContact O-OD1 3.34Å
423V72Confident66Low58 Ų5861.2 Ų61.235%0.35231%0.314SS..Hα-helixtrans-66.5-47.3175.4169.90000111.2W419 H425 N426 I427 V541W419-V423 HydrophobicContact CE3-CG2 4.23Å; W419-V423 WeakPolarHBondContact O-CB 3.25Å; W419-V423 VanDerWaalsContact O-CG2 3.31Å; W419-V423 WeakPolarHBondContact O-CG2 3.41Å; W419-V423 PolarHBondContact O-N 3.12Å; V423-H425 VanDerWaalsContact C-N 3.3Å; V423-H425 PolarHBondContact O-N 3.44Å; V423-N426 PolarHBondContact O-N 2.97Å; V423-I427 HydrophobicContact CG1-CD1 3.86Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 2.89Å; V423-I427 PolarHBondContact O-N 3.4Å; V423-V541 HydrophobicContact CB-CG2 4.05Å; V423-V541 HydrophobicContact CG1-CG1 3.89Å; V423-V541 HydrophobicContact CG1-CG2 3.82Å
424A67Low67.8Low5 Ų557.6 Ų57.64%0.04129%0.289CS..Hα-helixtrans-55-45.8173.500000112S420 I427 L428 V540 S544S420-A424 WeakPolarHBondContact O-CB 3.38Å; S420-A424 PolarHBondContact O-N 3.01Å; A424-I427 PolarHBondContact O-N 3.06Å; A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.44Å; A424-V540 HydrophobicContact CB-CG1 3.83Å; A424-S544 WeakPolarHBondContact CB-OG 3.28Å
425H70.8Confident69.1Low34 Ų3453.7 Ų53.716%0.15728%0.275CS..Hα-helixtrans-64.9-46180-17361.2000112.2R282 E421 K422 V423 I427 L428 S429R282-H425 VanDerWaalsContact CB-NE2 3.28Å; R282-H425 WeakPolarHBondContact CB-NE2 3.28Å; R282-H425 VanDerWaalsContact CD-CE1 3.4Å; R282-H425 WeakPolarHBondContact CD-CE1 3.38Å; R282-H425 VanDerWaalsContact CG-NE2 3.3Å; R282-H425 WeakPolarHBondContact CG-NE2 3.42Å; R282-H425 PolarHBondContact NE-CE1 2.87Å; E421-H425 WeakPolarHBondContact O-CB 3.36Å; E421-H425 PolarHBondContact O-N 3.38Å; K422-H425 PolarHBondContact O-N 3.39Å; V423-H425 VanDerWaalsContact C-N 3.3Å; V423-H425 PolarHBondContact O-N 3.44Å; H425-I427 VanDerWaalsContact C-N 3.32Å; H425-I427 PolarHBondContact O-N 2.99Å; H425-L428 PolarHBondContact O-N 3.46Å; H425-S429 PolarHBondContact CE1-OG 3.28Å; H425-S429 PolarHBondContact NE2-OG 2.99Å; H425-S429 PolarHBondContact O-N 3.27Å; H425-S429 PolarHBondContact O-OG 3.09Å
426N73.2Confident70.3Confident72 Ų7249 Ų4939%0.38525%0.251SS..Hα-helixtrans-58.5-42.8176.3-72.1-1.3000111.9K422 V423 S429 G430K422-N426 WeakPolarHBondContact O-CB 3.33Å; K422-N426 PolarHBondContact O-N 3.33Å; K422-N426 PolarHBondContact O-OD1 3.34Å; V423-N426 PolarHBondContact O-N 2.97Å; N426-S429 PolarHBondContact O-N 3.5Å; N426-G430 PolarHBondContact O-N 3.42Å
427I69.9Low71.3Confident59 Ų5948.3 Ų48.330%0.30325%0.253SS..Hα-helixtrans-60.8-45.9176.5-69.4165000110.9V423 A424 H425 A431 V541 S544V423-I427 HydrophobicContact CG1-CD1 3.86Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 2.89Å; V423-I427 PolarHBondContact O-N 3.4Å; A424-I427 PolarHBondContact O-N 3.06Å; H425-I427 VanDerWaalsContact C-N 3.32Å; H425-I427 PolarHBondContact O-N 2.99Å; I427-A431 WeakPolarHBondContact O-CB 3.41Å; I427-A431 PolarHBondContact O-N 2.91Å; I427-V541 HydrophobicContact CD1-CG1 4.05Å; I427-S544 WeakPolarHBondContact CG2-O 3.44Å
428L68.5Low72Confident33 Ų3350.8 Ų50.817%0.17327%0.266CS..Hα-helixtrans-66.7-42.1179-68.9172.9000112.5A424 H425 A431 S432 Q547A424-L428 WeakPolarHBondContact O-CG 3.33Å; A424-L428 PolarHBondContact O-N 3.44Å; H425-L428 PolarHBondContact O-N 3.46Å; L428-A431 PolarHBondContact O-N 3.47Å; L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.04Å; L428-S432 PolarHBondContact O-OG 3.17Å; L428-S432 VanDerWaalsContact O-OG 3.08Å; L428-Q547 HydrophobicContact CD2-CB 3.83Å; L428-Q547 HydrophobicContact CD2-CG 3.6Å
429S67.9Low72.4Confident32 Ų3246.3 Ų46.322%0.22425%0.247CC..Hα-helixtrans-70.2-40.9179.9-730000112.5H425 N426 S432 W433H425-S429 PolarHBondContact CE1-OG 3.28Å; H425-S429 PolarHBondContact NE2-OG 2.99Å; H425-S429 PolarHBondContact O-N 3.27Å; H425-S429 PolarHBondContact O-OG 3.09Å; N426-S429 PolarHBondContact O-N 3.5Å; S429-S432 PolarHBondContact O-N 3.32Å; S429-W433 PolarHBondContact O-N 3.14Å
430G69.3Low72.5Confident31 Ų3140.3 Ų40.332%0.3223%0.225SC..Hα-helixtrans-62.8-42.9171.800000112.4N426 S432 W433 V434N426-G430 PolarHBondContact O-N 3.42Å; G430-S432 PolarHBondContact O-N 3.2Å; G430-W433 PolarHBondContact O-N 3.09Å; G430-V434 WeakPolarHBondContact O-CG2 3.43Å; G430-V434 PolarHBondContact O-N 2.87Å
431A71.4Confident72.9Confident8 Ų841.9 Ų41.97%0.06624%0.241CC..Hα-helixtrans-60.2-44.4174.500000112.9I427 L428 V434 S435 G548 T551 V552I427-A431 WeakPolarHBondContact O-CB 3.41Å; I427-A431 PolarHBondContact O-N 2.91Å; L428-A431 PolarHBondContact O-N 3.47Å; A431-V434 PolarHBondContact O-N 3.47Å; A431-S435 WeakPolarHBondContact O-CB 3.26Å; A431-S435 PolarHBondContact O-N 2.86Å; A431-G548 VanDerWaalsContact CB-O 3.3Å; A431-G548 WeakPolarHBondContact CB-O 3.49Å; A431-T551 HydrophobicContact CB-CG2 4.41Å; A431-V552 HydrophobicContact CB-CG2 3.8Å
432S68.6Low73.2Confident24 Ų2437.6 Ų37.617%0.16822%0.222CC..Hα-helixtrans-64.1-37.9175.1-66.30000112.5L428 S429 G430 S435 W436L428-S432 WeakPolarHBondContact O-CB 3.44Å; L428-S432 PolarHBondContact O-N 3.04Å; L428-S432 PolarHBondContact O-OG 3.17Å; L428-S432 VanDerWaalsContact O-OG 3.08Å; S429-S432 PolarHBondContact O-N 3.32Å; G430-S432 PolarHBondContact O-N 3.2Å; S432-S435 WeakPolarHBondContact O-CB 3.29Å; S432-S435 PolarHBondContact O-N 3.5Å; S432-W436 WeakPolarHBondContact O-CB 3.49Å; S432-W436 PolarHBondContact O-N 3.24Å
433W67.6Low73.3Confident45 Ų4536.7 Ų36.717%0.1722%0.218CC..Hα-helixtrans-64.6-48.2175.5-17786.3000112.2P277 T298 M299 S429 G430 S435 W436 G437P277-W433 HydrophobicContact CG-CB 4.41Å; P277-W433 HydrophobicContact CG-CG 4.2Å; T298-W433 WeakPolarHBondContact O-CZ3 3.48Å; M299-W433 HydrophobicContact CE-CH2 4.48Å; M299-W433 HydrophobicContact SD-CH2 3.47Å; M299-W433 WeakPolarHBondContact SD-CH2 3.46Å; M299-W433 HydrophobicContact SD-CZ2 3.43Å; M299-W433 WeakPolarHBondContact SD-CZ2 3.41Å; S429-W433 PolarHBondContact O-N 3.14Å; G430-W433 PolarHBondContact O-N 3.09Å; W433-S435 VanDerWaalsContact C-N 3.29Å; W433-S435 PolarHBondContact O-N 3.32Å; W433-W436 PolarHBondContact O-N 2.84Å; W433-G437 PolarHBondContact O-N 3.03Å
434V76.1Confident73.7Confident57 Ų5739 Ų3935%0.34523%0.228SC..Hα-helixtrans-60.2-42.1175.61730000110.8G430 A431 G437 L438 V552G430-V434 WeakPolarHBondContact O-CG2 3.43Å; G430-V434 PolarHBondContact O-N 2.87Å; A431-V434 PolarHBondContact O-N 3.47Å; V434-G437 PolarHBondContact O-N 3.45Å; V434-L438 HydrophobicContact CG1-CD1 4.01Å; V434-L438 HydrophobicContact CG1-CG 4.43Å; V434-L438 WeakPolarHBondContact O-CB 3.45Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.18Å; V434-L438 PolarHBondContact O-N 3.22Å; V434-V552 HydrophobicContact CB-CG2 4.26Å; V434-V552 HydrophobicContact CG1-CG1 4.03Å; V434-V552 HydrophobicContact CG1-CG2 4.26Å
435S72.2Confident74.4Confident20 Ų2041.8 Ų41.814%0.1424%0.244CC..Hα-helixtrans-59.2-48.5176.5-169.40000112.2A431 S432 W433 V439 T551 G555A431-S435 WeakPolarHBondContact O-CB 3.26Å; A431-S435 PolarHBondContact O-N 2.86Å; S432-S435 WeakPolarHBondContact O-CB 3.29Å; S432-S435 PolarHBondContact O-N 3.5Å; W433-S435 VanDerWaalsContact C-N 3.29Å; W433-S435 PolarHBondContact O-N 3.32Å; S435-V439 WeakPolarHBondContact O-CG2 3.48Å; S435-V439 PolarHBondContact O-N 3.18Å; S435-T551 VanDerWaalsContact CB-O 3.27Å; S435-T551 WeakPolarHBondContact CB-O 3.48Å; S435-T551 PolarHBondContact OG-O 2.92Å; S435-G555 WeakPolarHBondContact OG-CA 3.34Å; S435-G555 PolarHBondContact OG-N 3.05Å
436W78.1Confident74.8Confident50 Ų5040.2 Ų40.219%0.18924%0.237CC..Hα-helixtrans-63-44.8175.8177.988.3000112.5F253 S432 W433 L438 V439 K440F253-W436 HydrophobicContact CE2-CZ2 4.49Å; F253-W436 AromaticContact CZ-CZ2 3.91Å; F253-W436 HydrophobicContact CZ-CZ2 3.91Å; S432-W436 WeakPolarHBondContact O-CB 3.49Å; S432-W436 PolarHBondContact O-N 3.24Å; W433-W436 PolarHBondContact O-N 2.84Å; W436-L438 PolarHBondContact O-N 3.49Å; W436-V439 PolarHBondContact O-N 2.83Å; W436-K440 HydrophobicContact CD2-CG 4.26Å; W436-K440 HydrophobicContact CH2-CG 4.47Å; W436-K440 HydrophobicContact CZ2-CG 3.93Å; W436-K440 PolarHBondContact O-N 2.93Å
437G75.9Confident75.3Confident26 Ų2641.5 Ų41.527%0.26824%0.24SC..Hα-helixtrans-62.1-42.2179.300000112.8W433 V434 K440 G441W433-G437 PolarHBondContact O-N 3.03Å; V434-G437 PolarHBondContact O-N 3.45Å; G437-K440 PolarHBondContact O-N 2.88Å; G437-G441 PolarHBondContact O-N 3.12Å
438L81.3Confident75.9Confident64 Ų6441.6 Ų41.634%0.33525%0.249SC..Hα-helixtrans-60.7-46.2173.7-74169.6000111.8V434 W436 A442 L556 A559V434-L438 HydrophobicContact CG1-CD1 4.01Å; V434-L438 HydrophobicContact CG1-CG 4.43Å; V434-L438 WeakPolarHBondContact O-CB 3.45Å; V434-L438 VanDerWaalsContact O-CG 3.29Å; V434-L438 WeakPolarHBondContact O-CG 3.18Å; V434-L438 PolarHBondContact O-N 3.22Å; W436-L438 PolarHBondContact O-N 3.49Å; L438-A442 WeakPolarHBondContact O-CB 3.48Å; L438-A442 PolarHBondContact O-N 3.11Å; L438-L556 HydrophobicContact CD1-CB 4.24Å; L438-A559 HydrophobicContact CB-CB 4.09Å; L438-A559 WeakPolarHBondContact O-CB 3.22Å
439V76.8Confident76.8Confident37 Ų3742.5 Ų42.522%0.22425%0.254CS..Hα-helixtrans-66.1-44.2179.6173.90000111.4S435 W436 A442 E443 G555 C558S435-V439 WeakPolarHBondContact O-CG2 3.48Å; S435-V439 PolarHBondContact O-N 3.18Å; W436-V439 PolarHBondContact O-N 2.83Å; V439-A442 WeakPolarHBondContact O-CB 3.38Å; V439-A442 PolarHBondContact O-N 3.43Å; V439-E443 PolarHBondContact O-N 2.79Å; V439-G555 WeakPolarHBondContact CG2-O 3.2Å; V439-C558 HydrophobicContact CG2-CB 3.65Å
440K78.1Confident77.5Confident19 Ų1945.9 Ų45.98%0.08327%0.266CS..Hα-helixtrans-68.5-37.6177.5-80.9-75.2167.7-171.30112.9L214 W436 G437 A442 E443 I444L214-K440 PolarHBondContact O-NZ 3.34Å; W436-K440 HydrophobicContact CD2-CG 4.26Å; W436-K440 HydrophobicContact CH2-CG 4.47Å; W436-K440 HydrophobicContact CZ2-CG 3.93Å; W436-K440 PolarHBondContact O-N 2.93Å; G437-K440 PolarHBondContact O-N 2.88Å; K440-A442 VanDerWaalsContact C-N 3.29Å; K440-A442 PolarHBondContact O-N 3.41Å; K440-E443 WeakPolarHBondContact CD-OE2 3.4Å; K440-E443 WeakPolarHBondContact CE-OE2 3.44Å; K440-E443 IonicContact NZ-OE1 3.94Å; K440-E443 IonicContact NZ-OE2 2.74Å; K440-E443 PolarHBondContact NZ-OE2 2.61Å; K440-E443 PolarHBondContact O-N 3.37Å; K440-I444 VanDerWaalsContact O-CG1 3.32Å; K440-I444 WeakPolarHBondContact O-CG1 3.23Å; K440-I444 PolarHBondContact O-N 3.29Å
441G78.4Confident78.3Confident33 Ų3351.5 Ų51.534%0.3428%0.281SS..Hα-helixtrans-59.5-40.1170.800000112.2G437 T445G437-G441 PolarHBondContact O-N 3.12Å; G441-T445 VanDerWaalsContact O-CB 3.28Å; G441-T445 WeakPolarHBondContact O-CB 3.41Å; G441-T445 PolarHBondContact O-N 3.08Å; G441-T445 PolarHBondContact O-OG1 2.91Å
442A80.2Confident79Confident3 Ų353.1 Ų53.13%0.02530%0.299CS..Hα-helixtrans-68-39.6174.100000113.5L438 V439 K440 T445 G446 A559 C562 I563L438-A442 WeakPolarHBondContact O-CB 3.48Å; L438-A442 PolarHBondContact O-N 3.11Å; V439-A442 WeakPolarHBondContact O-CB 3.38Å; V439-A442 PolarHBondContact O-N 3.43Å; K440-A442 VanDerWaalsContact C-N 3.29Å; K440-A442 PolarHBondContact O-N 3.41Å; A442-T445 PolarHBondContact O-N 2.75Å; A442-G446 PolarHBondContact O-N 2.52Å; A442-A559 HydrophobicContact CB-CB 3.77Å; A442-A559 WeakPolarHBondContact CB-O 3.38Å; A442-C562 HydrophobicContact CB-CB 3.99Å; A442-I563 HydrophobicContact CB-CD1 4.11Å; A442-I563 HydrophobicContact CB-CG1 3.85Å
443E75.6Confident79.7Confident60 Ų6052.6 Ų52.628%0.2830%0.296SS..Hα-helixtrans-61.7-46.4173.1-74.3176.5-152.900112V439 K440 T445 G446 K447V439-E443 PolarHBondContact O-N 2.79Å; K440-E443 WeakPolarHBondContact CD-OE2 3.4Å; K440-E443 WeakPolarHBondContact CE-OE2 3.44Å; K440-E443 IonicContact NZ-OE1 3.94Å; K440-E443 IonicContact NZ-OE2 2.74Å; K440-E443 PolarHBondContact NZ-OE2 2.61Å; K440-E443 PolarHBondContact O-N 3.37Å; E443-T445 VanDerWaalsContact C-N 3.34Å; E443-G446 WeakPolarHBondContact O-CA 3.4Å; E443-G446 PolarHBondContact O-N 3.15Å; E443-K447 PolarHBondContact O-N 3.33Å
444I80.9Confident80.5Confident106 Ų10652.1 Ų52.154%0.54430%0.3SS..Hα-helixtrans-63.4-42.9177.5-67.7166.1000110.2K440 G446 K447 A448K440-I444 VanDerWaalsContact O-CG1 3.32Å; K440-I444 WeakPolarHBondContact O-CG1 3.23Å; K440-I444 PolarHBondContact O-N 3.29Å; I444-G446 VanDerWaalsContact C-N 3.31Å; I444-G446 PolarHBondContact O-N 3.26Å; I444-K447 PolarHBondContact O-N 3.12Å; I444-A448 WeakPolarHBondContact O-CB 3.23Å; I444-A448 PolarHBondContact O-N 2.72Å
445T81.6Confident81Confident64 Ų6455.3 Ų55.339%0.39331%0.309SS..Hα-helixtrans-60.1-40.5173.4-59.70000111.3G441 A442 E443 A448 I449G441-T445 VanDerWaalsContact O-CB 3.28Å; G441-T445 WeakPolarHBondContact O-CB 3.41Å; G441-T445 PolarHBondContact O-N 3.08Å; G441-T445 PolarHBondContact O-OG1 2.91Å; A442-T445 PolarHBondContact O-N 2.75Å; E443-T445 VanDerWaalsContact C-N 3.34Å; T445-A448 PolarHBondContact O-N 2.9Å; T445-I449 HydrophobicContact CG2-CD1 3.83Å; T445-I449 HydrophobicContact CG2-CG1 4.44Å; T445-I449 WeakPolarHBondContact O-CB 3.3Å; T445-I449 VanDerWaalsContact O-CG1 3.25Å; T445-I449 WeakPolarHBondContact O-CG1 3.47Å; T445-I449 PolarHBondContact O-N 3.2Å
446G78.7Confident81.5Confident1 Ų158.6 Ų58.61%0.0133%0.325CS..Hα-helixtrans-59-50.3172.800000113.1A442 E443 I444 A448 I449 Q450A442-G446 PolarHBondContact O-N 2.52Å; E443-G446 WeakPolarHBondContact O-CA 3.4Å; E443-G446 PolarHBondContact O-N 3.15Å; I444-G446 VanDerWaalsContact C-N 3.31Å; I444-G446 PolarHBondContact O-N 3.26Å; G446-A448 VanDerWaalsContact C-N 3.29Å; G446-A448 PolarHBondContact O-N 2.95Å; G446-I449 PolarHBondContact O-N 3.41Å; G446-Q450 WeakPolarHBondContact O-CB 3.27Å; G446-Q450 PolarHBondContact O-N 3.33Å
447K83.3Confident81.9Confident100 Ų10057.6 Ų57.644%0.43532%0.321SS..Hα-helixtrans-58.4-40.1174.9-68.3176.5-177.7178.80111.8E443 I444 K451E443-K447 PolarHBondContact O-N 3.33Å; I444-K447 PolarHBondContact O-N 3.12Å; K447-K451 WeakPolarHBondContact O-CB 3.4Å; K447-K451 PolarHBondContact O-N 3.44Å
448A84.2Confident82.4Confident61 Ų6163.3 Ų63.350%0.50434%0.34SS..Hα-helixtrans-66.6-43.5176.400000112.6I444 T445 G446 K451 G452I444-A448 WeakPolarHBondContact O-CB 3.23Å; I444-A448 PolarHBondContact O-N 2.72Å; T445-A448 PolarHBondContact O-N 2.9Å; G446-A448 VanDerWaalsContact C-N 3.29Å; G446-A448 PolarHBondContact O-N 2.95Å; A448-K451 PolarHBondContact O-N 2.83Å; A448-G452 PolarHBondContact O-N 2.92Å
449I86.1Confident82.4Confident52 Ų5270.8 Ų70.827%0.26736%0.364SS..Hα-helixtrans-61.2-46.6175-70164000110.2T445 G446 K451 G452 A453 V567 E570T445-I449 HydrophobicContact CG2-CD1 3.83Å; T445-I449 HydrophobicContact CG2-CG1 4.44Å; T445-I449 WeakPolarHBondContact O-CB 3.3Å; T445-I449 VanDerWaalsContact O-CG1 3.25Å; T445-I449 WeakPolarHBondContact O-CG1 3.47Å; T445-I449 PolarHBondContact O-N 3.2Å; G446-I449 PolarHBondContact O-N 3.41Å; I449-K451 PolarHBondContact O-N 2.65Å; I449-G452 PolarHBondContact O-N 2.98Å; I449-A453 VanDerWaalsContact O-CB 3.25Å; I449-A453 WeakPolarHBondContact O-CB 3.17Å; I449-A453 PolarHBondContact O-N 3.35Å; I449-V567 HydrophobicContact CD1-CG2 3.83Å; I449-E570 HydrophobicContact CG2-CB 4.37Å; I449-E570 HydrophobicContact CG2-CG 4.3Å
450Q83.4Confident82.7Confident102 Ų10270.8 Ų70.848%0.47736%0.362SS..Hα-helixtrans-59.4-42.4176168.9167.372.100113G446 S454 E570G446-Q450 WeakPolarHBondContact O-CB 3.27Å; G446-Q450 PolarHBondContact O-N 3.33Å; Q450-S454 VanDerWaalsContact O-CB 3.3Å; Q450-S454 WeakPolarHBondContact O-CB 3.19Å; Q450-S454 PolarHBondContact O-N 2.89Å; Q450-S454 PolarHBondContact O-OG 3.48Å; Q450-E570 WeakPolarHBondContact CA-OE1 3.44Å; Q450-E570 HydrophobicContact CB-CG 4.42Å; Q450-E570 WeakPolarHBondContact CB-OE1 3.47Å; Q450-E570 WeakPolarHBondContact CG-OE1 3.34Å
451K85.7Confident82.7Confident149 Ų14978.2 Ų78.265%0.64840%0.398SS*.Hα-helixtrans-67.1-39.5176.5-167.3171.4-174.4173.50111.9K447 A448 I449 K455K447-K451 WeakPolarHBondContact O-CB 3.4Å; K447-K451 PolarHBondContact O-N 3.44Å; A448-K451 PolarHBondContact O-N 2.83Å; I449-K451 PolarHBondContact O-N 2.65Å; K451-K455 PolarHBondContact O-N 3.47Å
452G85.5Confident82.8Confident42 Ų4280.1 Ų80.143%0.43340%0.404SS..Hα-helixtrans-67.6-46.4175.100000113A448 I449 S454 K455 L456A448-G452 PolarHBondContact O-N 2.92Å; I449-G452 PolarHBondContact O-N 2.98Å; G452-S454 VanDerWaalsContact C-N 3.33Å; G452-S454 PolarHBondContact O-N 3.33Å; G452-K455 PolarHBondContact O-N 2.6Å; G452-L456 WeakPolarHBondContact O-CB 3.27Å; G452-L456 PolarHBondContact O-N 3.12Å
453A84.1Confident82.5Confident13 Ų1385.1 Ų85.111%0.10743%0.427CS..Hα-helixtrans-65.9-33.7177.100000112.3I449 L456 R457 E570I449-A453 VanDerWaalsContact O-CB 3.25Å; I449-A453 WeakPolarHBondContact O-CB 3.17Å; I449-A453 PolarHBondContact O-N 3.35Å; A453-L456 WeakPolarHBondContact O-CB 3.35Å; A453-L456 PolarHBondContact O-N 3.45Å; A453-R457 WeakPolarHBondContact O-CG 3.24Å; A453-R457 PolarHBondContact O-N 2.86Å; A453-E570 HydrophobicContact CB-CB 4.05Å; A453-E570 HydrophobicContact CB-CG 4.09Å; A453-E570 WeakPolarHBondContact CB-OE2 3.22Å
454S85.1Confident82.1Confident35 Ų3591.9 Ų91.925%0.24546%0.458CS..Hα-helixtrans-65.3-46172-59.90000111.9Q450 G452 L456 R457 E458Q450-S454 VanDerWaalsContact O-CB 3.3Å; Q450-S454 WeakPolarHBondContact O-CB 3.19Å; Q450-S454 PolarHBondContact O-N 2.89Å; Q450-S454 PolarHBondContact O-OG 3.48Å; G452-S454 VanDerWaalsContact C-N 3.33Å; G452-S454 PolarHBondContact O-N 3.33Å; S454-L456 PolarHBondContact O-N 2.89Å; S454-R457 PolarHBondContact O-N 3.45Å; S454-R457 VanDerWaalsContact O-N 3.16Å; S454-R457 PolarHBondContact OG-NH1 3.46Å; S454-R457 PolarHBondContact OG-NH2 3.29Å; S454-R457 VanDerWaalsContact OG-NH2 3.12Å; S454-E458 WeakPolarHBondContact O-CG 3.41Å; S454-E458 PolarHBondContact O-N 3.28Å
455K84.9Confident81.6Confident124 Ų12493.5 Ų93.554%0.53946%0.462SS..Hα-helixtrans-64.2-25.5171.8-75.7-170.6170.7-170.10114.2K451 G452 R459K451-K455 PolarHBondContact O-N 3.47Å; G452-K455 PolarHBondContact O-N 2.6Å; K455-R459 WeakPolarHBondContact O-CG 3.44Å
456L84.5Confident81.3Confident90 Ų9094.1 Ų94.147%0.47147%0.467SS..Hα-helixtrans-73.5-44.5171.6178.261.1000110.7G452 A453 S454 E458 R459 I460G452-L456 WeakPolarHBondContact O-CB 3.27Å; G452-L456 PolarHBondContact O-N 3.12Å; A453-L456 WeakPolarHBondContact O-CB 3.35Å; A453-L456 PolarHBondContact O-N 3.45Å; S454-L456 PolarHBondContact O-N 2.89Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.93Å; L456-R459 PolarHBondContact O-N 2.91Å; L456-I460 HydrophobicContact CD1-CD1 3.99Å; L456-I460 HydrophobicContact CD1-CG1 4.36Å; L456-I460 HydrophobicContact CD2-CD1 4.49Å; L456-I460 HydrophobicContact CG-CD1 3.81Å; L456-I460 WeakPolarHBondContact O-CG1 3.38Å; L456-I460 PolarHBondContact O-N 2.83Å; L456-I460 VanDerWaalsContact O-N 3.15Å
457R86.6Confident81.2Confident29 Ų2997.1 Ų97.111%0.10949%0.485CS..Hα-helixtrans-59.4-42.6174.2-74.1-178.4-96.6111.7-11.6111.4A453 S454 R459 I460 E570 T574 Y577A453-R457 WeakPolarHBondContact O-CG 3.24Å; A453-R457 PolarHBondContact O-N 2.86Å; S454-R457 PolarHBondContact O-N 3.45Å; S454-R457 VanDerWaalsContact O-N 3.16Å; S454-R457 PolarHBondContact OG-NH1 3.46Å; S454-R457 PolarHBondContact OG-NH2 3.29Å; S454-R457 VanDerWaalsContact OG-NH2 3.12Å; R457-R459 PolarHBondContact O-N 3.32Å; R457-R459 VanDerWaalsContact O-N 3.12Å; R457-I460 PolarHBondContact O-N 3.14Å; R457-I460 VanDerWaalsContact O-N 3.12Å; R457-E570 IonicContact CZ-OE2 2.68Å; R457-E570 IonicContact NE-OE2 3.15Å; R457-E570 VanDerWaalsContact NH2-CD 3.3Å; R457-E570 IonicContact NH2-OE1 3.07Å; R457-E570 PolarHBondContact NH2-OE1 2.88Å; R457-E570 VanDerWaalsContact NH2-OE1 3.14Å; R457-E570 IonicContact NH2-OE2 3.67Å; R457-E570 PolarHBondContact NH2-OE2 3.45Å; R457-T574 HydrophobicContact CG-CG2 4.18Å; R457-Y577 HydrophobicContact CB-CD1 3.97Å; R457-Y577 HydrophobicContact CB-CE1 4.04Å; R457-Y577 HydrophobicContact CB-CG 4.4Å; R457-Y577 HydrophobicContact CG-CD1 3.92Å; R457-Y577 HydrophobicContact CG-CE1 4.49Å; R457-Y577 HydrophobicContact CG-CG 4.18Å; R457-Y577 WeakPolarHBondContact O-CE1 3.26Å; R457-Y577 PolarHBondContact O-OH 3.48Å
458E85.3Confident80.9Confident145 Ų14599 Ų9968%0.67850%0.495SS*.THydrogen-bonded Turntrans-55.3-26.4171.9-72.4164.4-163.900114.5S454 L456S454-E458 WeakPolarHBondContact O-CG 3.41Å; S454-E458 PolarHBondContact O-N 3.28Å; L456-E458 VanDerWaalsContact C-N 3.35Å; L456-E458 PolarHBondContact O-N 2.93Å
459R82Confident80.5Confident221 Ų22197.8 Ų97.883%0.83448%0.481SS*.THydrogen-bonded Turntrans-100.9-5-178.3-68.8178.2177.2-124.7-3.9113.8K455 L456 R457K455-R459 WeakPolarHBondContact O-CG 3.44Å; L456-R459 PolarHBondContact O-N 2.91Å; R457-R459 PolarHBondContact O-N 3.32Å; R457-R459 VanDerWaalsContact O-N 3.12Å
460I82.7Confident80.1Confident37 Ų3798.2 Ų98.219%0.1949%0.489CS..SBendtrans-98.3121.7177.6-74.4170.8000108L456 R457 T574 Y577 K578L456-I460 HydrophobicContact CD1-CD1 3.99Å; L456-I460 HydrophobicContact CD1-CG1 4.36Å; L456-I460 HydrophobicContact CD2-CD1 4.49Å; L456-I460 HydrophobicContact CG-CD1 3.81Å; L456-I460 WeakPolarHBondContact O-CG1 3.38Å; L456-I460 PolarHBondContact O-N 2.83Å; L456-I460 VanDerWaalsContact O-N 3.15Å; R457-I460 PolarHBondContact O-N 3.14Å; R457-I460 VanDerWaalsContact O-N 3.12Å; I460-T574 HydrophobicContact CD1-CG2 4.17Å; I460-Y577 HydrophobicContact CB-CE1 4.32Å; I460-Y577 HydrophobicContact CG2-CD1 4.4Å; I460-Y577 HydrophobicContact CG2-CE1 4.25Å; I460-Y577 WeakPolarHBondContact O-CE1 3.47Å; I460-K578 HydrophobicContact CG2-CB 3.86Å; I460-K578 HydrophobicContact CG2-CD 3.66Å; I460-K578 HydrophobicContact CG2-CG 3.6Å
461Q78.2Confident79.7Confident176 Ų17698.6 Ų98.682%0.82250%0.5SS*.PPolyproline II helixtrans-73.3130165.1-64.9-178.846.400108.5
462P80.2Confident79.2Confident73 Ų7395.2 Ų95.247%0.47450%0.5SS..PPolyproline II helixtrans-71.4149.4173.731.1-34.9000110.6
463E73.3Confident79Confident108 Ų10897 Ų9751%0.50550%0.502SS..PPolyproline II helixtrans-71.8128.4178.7-15577.4-132.900110.3K465 K578E463-K465 PolarHBondContact O-N 3.4Å; E463-K465 VanDerWaalsContact O-N 3.15Å; E463-K578 WeakPolarHBondContact CB-O 3.15Å; E463-K578 PolarHBondContact N-O 2.96Å
464E67.2Low78.5Confident202 Ų20298.4 Ų98.494%0.94451%0.51SS*.SBendtrans-58.8-30.7-176.7-68.5-168.1151.400113.3
465K71.6Confident77.9Confident140 Ų140103.6 Ų103.661%0.60953%0.528SS*.SBendtrans-111.1118.3171.2-163.4-174.1-178.8-158.70110E463 V467 E468E463-K465 PolarHBondContact O-N 3.4Å; E463-K465 VanDerWaalsContact O-N 3.15Å; K465-V467 PolarHBondContact O-N 3.47Å; K465-E468 WeakPolarHBondContact CE-OE1 3.38Å; K465-E468 IonicContact NZ-OE1 2.79Å; K465-E468 PolarHBondContact NZ-OE1 3.19Å
466P74Confident77.4Confident77 Ų7799.7 Ų99.750%0.552%0.522SS..  trans-52.5138.8172.1-29.136.5000112.5E468P466-E468 PolarHBondContact O-N 2.92Å
467V78.6Confident76.9Confident64 Ų6497.3 Ų97.339%0.38851%0.51SS..  trans-75.5115.7-177.41780000109.9K465 V469 Y579K465-V467 PolarHBondContact O-N 3.47Å; V467-V469 PolarHBondContact O-N 2.95Å; V467-Y579 HydrophobicContact CG2-CD1 3.6Å; V467-Y579 HydrophobicContact CG2-CE1 4.49Å; V467-Y579 HydrophobicContact CG2-CG 4.2Å; V467-Y579 PolarHBondContact N-O 2.64Å
468E76Confident76.1Confident140 Ų140101.5 Ų101.565%0.65453%0.526SS*.  trans-7493.4174.2-69.9173-133.600110.1K465 P466 S470K465-E468 WeakPolarHBondContact CE-OE1 3.38Å; K465-E468 IonicContact NZ-OE1 2.79Å; K465-E468 PolarHBondContact NZ-OE1 3.19Å; P466-E468 PolarHBondContact O-N 2.92Å; E468-S470 PolarHBondContact O-N 3.43Å
469V76.1Confident75.3Confident34 Ų3499 Ų9921%0.20652%0.517CS..  trans-63.4128.8167.9-1770000108.7V467 V473 T474 A583 A586V467-V469 PolarHBondContact O-N 2.95Å; V469-V473 HydrophobicContact CG1-CB 4Å; V469-V473 HydrophobicContact CG1-CG1 3.84Å; V469-T474 WeakPolarHBondContact CG1-OG1 3.47Å; V469-A583 HydrophobicContact CG2-CB 4.29Å; V469-A586 HydrophobicContact CG1-CB 4.09Å; V469-A586 HydrophobicContact CG2-CB 4.12Å
470S77Confident74.5Confident62 Ų6290 Ų9043%0.43449%0.49SS..  trans-63.3138.9-17674.90000111.3E468 A472 V473 T474E468-S470 PolarHBondContact O-N 3.43Å; S470-A472 PolarHBondContact O-N 3.15Å; S470-V473 PolarHBondContact O-N 2.86Å; S470-V473 WeakPolarHBondContact OG-CG2 3.28Å; S470-T474 PolarHBondContact O-N 3.5Å; S470-T474 VanDerWaalsContact O-N 3.14Å; S470-T474 PolarHBondContact O-OG1 3.39Å
471P76.2Confident73.9Confident110 Ų11090.9 Ų90.971%0.71449%0.492SS*.Hα-helixtrans-57.1-26-178-28.735.7000114.3K475P471-K475 WeakPolarHBondContact O-CB 3.25Å; P471-K475 PolarHBondContact O-N 2.92Å
472A75.4Confident73.2Confident78 Ų7888.1 Ų88.165%0.64548%0.479SS*.Hα-helixtrans-65.6-43.1173.900000112.3S470 G476S470-A472 PolarHBondContact O-N 3.15Å; A472-G476 PolarHBondContact O-N 2.87Å
473V80Confident72Confident78 Ų7887.8 Ų87.847%0.47348%0.483SS..Hα-helixtrans-66.7-52.3175.7171.10000109.9V469 S470 K475 G476 L477V469-V473 HydrophobicContact CG1-CB 4Å; V469-V473 HydrophobicContact CG1-CG1 3.84Å; S470-V473 PolarHBondContact O-N 2.86Å; S470-V473 WeakPolarHBondContact OG-CG2 3.28Å; V473-K475 VanDerWaalsContact C-N 3.31Å; V473-K475 PolarHBondContact O-N 2.87Å; V473-G476 PolarHBondContact O-N 2.87Å; V473-G476 VanDerWaalsContact O-N 3.17Å; V473-L477 VanDerWaalsContact O-CB 3.23Å; V473-L477 WeakPolarHBondContact O-CB 3.3Å; V473-L477 PolarHBondContact O-N 3.42Å
474T73.2Confident71.4Confident44 Ų4483.7 Ų83.727%0.2747%0.465SS..Hα-helixtrans-57.5-43-179.5-48.70000111.9V469 S470 L477 Y478V469-T474 WeakPolarHBondContact CG1-OG1 3.47Å; S470-T474 PolarHBondContact O-N 3.5Å; S470-T474 VanDerWaalsContact O-N 3.14Å; S470-T474 PolarHBondContact O-OG1 3.39Å; T474-L477 PolarHBondContact O-N 2.9Å; T474-Y478 VanDerWaalsContact O-CB 3.31Å; T474-Y478 WeakPolarHBondContact O-CB 3.43Å; T474-Y478 PolarHBondContact O-N 3.13Å
475K73.9Confident71Confident144 Ų14475 Ų7563%0.62643%0.429SS*.Hα-helixtrans-67.5-43.7176.6-175.1172.9-180176.60112.6P471 V473 L477 Y478 I479P471-K475 WeakPolarHBondContact O-CB 3.25Å; P471-K475 PolarHBondContact O-N 2.92Å; V473-K475 VanDerWaalsContact C-N 3.31Å; V473-K475 PolarHBondContact O-N 2.87Å; K475-L477 VanDerWaalsContact C-N 3.29Å; K475-L477 PolarHBondContact O-N 2.79Å; K475-Y478 PolarHBondContact O-N 2.76Å; K475-I479 HydrophobicContact CG-CD1 4Å; K475-I479 WeakPolarHBondContact O-CB 3.33Å; K475-I479 WeakPolarHBondContact O-CD1 3.14Å; K475-I479 VanDerWaalsContact O-CG1 3.25Å; K475-I479 WeakPolarHBondContact O-CG1 3.37Å; K475-I479 PolarHBondContact O-N 3.21Å
476G72.9Confident70.3Confident41 Ų4169.9 Ų69.942%0.42342%0.417SS..Hα-helixtrans-61.7-38.8176.500000112.4A472 V473 I479 A480A472-G476 PolarHBondContact O-N 2.87Å; V473-G476 PolarHBondContact O-N 2.87Å; V473-G476 VanDerWaalsContact O-N 3.17Å; G476-I479 PolarHBondContact O-N 3.05Å; G476-A480 WeakPolarHBondContact O-CB 3.49Å; G476-A480 PolarHBondContact O-N 3.42Å
477L74.4Confident69.3Low40 Ų4068.2 Ų68.221%0.20941%0.409CS..Hα-helixtrans-77.2-33.1-178.4-153.756.5000112.4V473 T474 K475 A480 K481 A586 H589 A590V473-L477 VanDerWaalsContact O-CB 3.23Å; V473-L477 WeakPolarHBondContact O-CB 3.3Å; V473-L477 PolarHBondContact O-N 3.42Å; T474-L477 PolarHBondContact O-N 2.9Å; K475-L477 VanDerWaalsContact C-N 3.29Å; K475-L477 PolarHBondContact O-N 2.79Å; L477-A480 PolarHBondContact O-N 3.49Å; L477-K481 PolarHBondContact O-N 2.92Å; L477-A586 HydrophobicContact CD2-CB 4.14Å; L477-A586 WeakPolarHBondContact CD2-O 3.44Å; L477-H589 HydrophobicContact CB-CB 4.2Å; L477-H589 HydrophobicContact CD2-CB 4.22Å; L477-H589 HydrophobicContact CG-CB 3.74Å; L477-A590 HydrophobicContact CD1-CB 4.12Å; L477-A590 HydrophobicContact CD2-CB 4.09Å; L477-A590 HydrophobicContact CG-CB 4.39Å
478Y70.2Confident68.4Low117 Ų11765.6 Ų65.646%0.45940%0.395SS..Hα-helixtrans-64.3-44167.6179.4-96.6000111.9T474 K475 A480 K481 Q482 H589T474-Y478 VanDerWaalsContact O-CB 3.31Å; T474-Y478 WeakPolarHBondContact O-CB 3.43Å; T474-Y478 PolarHBondContact O-N 3.13Å; K475-Y478 PolarHBondContact O-N 2.76Å; Y478-A480 VanDerWaalsContact C-N 3.32Å; Y478-A480 PolarHBondContact O-N 3.3Å; Y478-K481 PolarHBondContact O-N 2.99Å; Y478-Q482 HydrophobicContact CE1-CG 4.27Å; Y478-Q482 VanDerWaalsContact CZ-NE2 3.34Å; Y478-Q482 PolarHBondContact O-N 3.5Å; Y478-Q482 PolarHBondContact OH-NE2 3.17Å; Y478-H589 AromaticContact CD2-NE2 3.64Å
479I69.5Low67.5Low94 Ų9465.7 Ų65.748%0.48239%0.393SS..Hα-helixtrans-62.4-41173.7-69.7165.7000110.3K475 G476 Q482 A483K475-I479 HydrophobicContact CG-CD1 4Å; K475-I479 WeakPolarHBondContact O-CB 3.33Å; K475-I479 WeakPolarHBondContact O-CD1 3.14Å; K475-I479 VanDerWaalsContact O-CG1 3.25Å; K475-I479 WeakPolarHBondContact O-CG1 3.37Å; K475-I479 PolarHBondContact O-N 3.21Å; G476-I479 PolarHBondContact O-N 3.05Å; I479-Q482 PolarHBondContact O-N 2.85Å; I479-A483 VanDerWaalsContact O-CB 3.29Å; I479-A483 WeakPolarHBondContact O-CB 3.49Å; I479-A483 PolarHBondContact O-N 3.32Å
480A64.6Low66.4Low32 Ų3268.8 Ų68.826%0.26441%0.411SS..Hα-helixtrans-60.7-46.3173.400000111.9G476 L477 Y478 Q482 A483 T484G476-A480 WeakPolarHBondContact O-CB 3.49Å; G476-A480 PolarHBondContact O-N 3.42Å; L477-A480 PolarHBondContact O-N 3.49Å; Y478-A480 VanDerWaalsContact C-N 3.32Å; Y478-A480 PolarHBondContact O-N 3.3Å; A480-Q482 VanDerWaalsContact C-N 3.35Å; A480-Q482 PolarHBondContact O-N 2.71Å; A480-A483 PolarHBondContact O-N 2.94Å; A480-T484 VanDerWaalsContact O-CB 3.29Å; A480-T484 WeakPolarHBondContact O-CB 3.47Å; A480-T484 WeakPolarHBondContact O-CG2 3.37Å; A480-T484 PolarHBondContact O-N 3.4Å; A480-T484 PolarHBondContact O-OG1 3.33Å
481K70.2Confident65.3Low54 Ų5466.1 Ų66.124%0.23539%0.393CS..Hα-helixtrans-59.5-42.9176.5174.3167.5169161.70111.9L477 Y478 T484 G485 H588 H589 D592 S593L477-K481 PolarHBondContact O-N 2.92Å; Y478-K481 PolarHBondContact O-N 2.99Å; K481-T484 PolarHBondContact O-OG1 2.71Å; K481-G485 PolarHBondContact O-N 3.41Å; K481-H588 PolarHBondContact NZ-CE1 3.47Å; K481-H588 VanDerWaalsContact NZ-CE1 3.26Å; K481-H588 PolarHBondContact NZ-NE2 3.45Å; K481-H589 HydrophobicContact CD-CB 4.49Å; K481-D592 HydrophobicContact CD-CB 3.96Å; K481-D592 WeakPolarHBondContact CE-OD2 3.45Å; K481-D592 HydrophobicContact CG-CB 4.27Å; K481-D592 IonicContact NZ-OD2 3.54Å; K481-D592 PolarHBondContact NZ-OD2 2.99Å; K481-S593 WeakPolarHBondContact CA-OG 3.44Å; K481-S593 PolarHBondContact N-OG 3.22Å; K481-S593 VanDerWaalsContact N-OG 3.1Å
482Q64.1Low64.2Low118 Ų11866 Ų6655%0.55138%0.383SS*.Hα-helixtrans-67.6-48176-71.7-157.9-9.600112.9Y478 I479 A480 G485 G486Y478-Q482 HydrophobicContact CE1-CG 4.27Å; Y478-Q482 VanDerWaalsContact CZ-NE2 3.34Å; Y478-Q482 PolarHBondContact O-N 3.5Å; Y478-Q482 PolarHBondContact OH-NE2 3.17Å; I479-Q482 PolarHBondContact O-N 2.85Å; A480-Q482 VanDerWaalsContact C-N 3.35Å; A480-Q482 PolarHBondContact O-N 2.71Å; Q482-G485 PolarHBondContact O-N 3.49Å; Q482-G486 PolarHBondContact O-N 3.26Å
483A53.4Low63.4Low66 Ų6669.8 Ų69.855%0.54539%0.385SS..Hα-helixtrans-64.4-44.1-177.900000112I479 A480 G486 A487I479-A483 VanDerWaalsContact O-CB 3.29Å; I479-A483 WeakPolarHBondContact O-CB 3.49Å; I479-A483 PolarHBondContact O-N 3.32Å; A480-A483 PolarHBondContact O-N 2.94Å; A483-G486 PolarHBondContact O-N 2.96Å; A483-A487 PolarHBondContact O-N 3.21Å
484T60.4Low62Low23 Ų2370.6 Ų70.614%0.14139%0.386CS..Hα-helixtrans-69.1-39.3177.459.20000111.8A480 K481 G486 A487 A488 N596 V597A480-T484 VanDerWaalsContact O-CB 3.29Å; A480-T484 WeakPolarHBondContact O-CB 3.47Å; A480-T484 WeakPolarHBondContact O-CG2 3.37Å; A480-T484 PolarHBondContact O-N 3.4Å; A480-T484 PolarHBondContact O-OG1 3.33Å; K481-T484 PolarHBondContact O-OG1 2.71Å; T484-G486 VanDerWaalsContact C-N 3.31Å; T484-G486 PolarHBondContact O-N 3.44Å; T484-A487 PolarHBondContact O-N 2.83Å; T484-A488 WeakPolarHBondContact O-CB 3.45Å; T484-A488 PolarHBondContact O-N 3.49Å; T484-N596 WeakPolarHBondContact OG1-CB 3.47Å; T484-N596 PolarHBondContact OG1-ND2 2.89Å; T484-V597 HydrophobicContact CG2-CG2 3.56Å
485G60.7Low61.1Low18 Ų1869.3 Ų69.319%0.18638%0.379CS..Hα-helixtrans-65.9-32.4174.100000113.3K481 Q482 K489 N596K481-G485 PolarHBondContact O-N 3.41Å; Q482-G485 PolarHBondContact O-N 3.49Å; G485-K489 WeakPolarHBondContact O-CG 3.47Å; G485-K489 PolarHBondContact O-N 3.04Å; G485-N596 WeakPolarHBondContact CA-ND2 3.29Å; G485-N596 PolarHBondContact N-ND2 3.31Å
486G56Low60.1Low34 Ų3466 Ų6635%0.35137%0.367SS..Hα-helixtrans-65.3-48.6169.200000112.2Q482 A483 T484 A488 K489 V490Q482-G486 PolarHBondContact O-N 3.26Å; A483-G486 PolarHBondContact O-N 2.96Å; T484-G486 VanDerWaalsContact C-N 3.31Å; T484-G486 PolarHBondContact O-N 3.44Å; G486-A488 VanDerWaalsContact C-N 3.34Å; G486-A488 PolarHBondContact O-N 2.91Å; G486-K489 PolarHBondContact O-N 2.92Å; G486-V490 WeakPolarHBondContact O-CG2 3.09Å; G486-V490 PolarHBondContact O-N 2.86Å
487A53.9Low59.1Low41 Ų4165.7 Ų65.734%0.33936%0.364SS..Hα-helixtrans-60.6-41.2176.800000112.5A483 T484 V490 S491 T600A483-A487 PolarHBondContact O-N 3.21Å; T484-A487 PolarHBondContact O-N 2.83Å; A487-V490 PolarHBondContact O-N 3.28Å; A487-S491 WeakPolarHBondContact O-CB 2.9Å; A487-S491 PolarHBondContact O-N 3.09Å; A487-S491 PolarHBondContact O-OG 3.5Å; A487-T600 HydrophobicContact CB-CG2 4.06Å
488A59.4Low57.9Low10 Ų1066.2 Ų66.28%0.08337%0.369CS..Hα-helixtrans-59-50.217600000111.1T484 G486 V490 S491 Q492 N596 T600T484-A488 WeakPolarHBondContact O-CB 3.45Å; T484-A488 PolarHBondContact O-N 3.49Å; G486-A488 VanDerWaalsContact C-N 3.34Å; G486-A488 PolarHBondContact O-N 2.91Å; A488-V490 PolarHBondContact O-N 3.38Å; A488-S491 PolarHBondContact O-N 2.95Å; A488-S491 PolarHBondContact O-OG 2.62Å; A488-Q492 WeakPolarHBondContact O-CB 3.31Å; A488-Q492 PolarHBondContact O-N 2.92Å; A488-N596 HydrophobicContact CB-CB 4.4Å; A488-T600 VanDerWaalsContact CA-OG1 3.28Å; A488-T600 WeakPolarHBondContact CA-OG1 3.49Å; A488-T600 PolarHBondContact N-OG1 3.39Å
489K57.4Low56.6Low142 Ų14262.2 Ų62.262%0.61736%0.358SS*.Hα-helixtrans-58.4-46.6175.8-73.6179.9178.5-1740112.6G485 G486 S491 Q492 F493G485-K489 WeakPolarHBondContact O-CG 3.47Å; G485-K489 PolarHBondContact O-N 3.04Å; G486-K489 PolarHBondContact O-N 2.92Å; K489-S491 VanDerWaalsContact C-N 3.35Å; K489-S491 PolarHBondContact O-N 3.41Å; K489-Q492 PolarHBondContact O-N 2.95Å; K489-F493 WeakPolarHBondContact O-CD2 3.35Å; K489-F493 PolarHBondContact O-N 3.13Å
490V52.5Low55.6Low98 Ų9861.7 Ų61.759%0.59436%0.359SS*.Hα-helixtrans-62.5-42.1178.4172.60000111.3G486 A487 A488 Q492 L494G486-V490 WeakPolarHBondContact O-CG2 3.09Å; G486-V490 PolarHBondContact O-N 2.86Å; A487-V490 PolarHBondContact O-N 3.28Å; A488-V490 PolarHBondContact O-N 3.38Å; V490-Q492 VanDerWaalsContact C-N 3.33Å; V490-Q492 PolarHBondContact O-N 2.93Å; V490-L494 WeakPolarHBondContact O-CB 3.33Å; V490-L494 PolarHBondContact O-N 3.24Å; V490-L494 VanDerWaalsContact O-N 3.11Å
491S53.8Low54.8Low7 Ų764 Ų645%0.04937%0.37CS..Hα-helixtrans-63.2-38.7176.574.80000112.4A487 A488 K489 L494 V495 N603A487-S491 WeakPolarHBondContact O-CB 2.9Å; A487-S491 PolarHBondContact O-N 3.09Å; A487-S491 PolarHBondContact O-OG 3.5Å; A488-S491 PolarHBondContact O-N 2.95Å; A488-S491 PolarHBondContact O-OG 2.62Å; K489-S491 VanDerWaalsContact C-N 3.35Å; K489-S491 PolarHBondContact O-N 3.41Å; S491-L494 PolarHBondContact O-N 3.3Å; S491-V495 WeakPolarHBondContact O-CG2 3.44Å; S491-V495 PolarHBondContact O-N 3.21Å; S491-N603 WeakPolarHBondContact OG-CB 3.48Å; S491-N603 PolarHBondContact OG-ND2 3.42Å
492Q53.6Low53.7Low108 Ų10863.9 Ų63.951%0.50538%0.379SS..Hα-helixtrans-67.5-49178.2-172.5174.3-100111.3A488 K489 V490 L494 V495 D496A488-Q492 WeakPolarHBondContact O-CB 3.31Å; A488-Q492 PolarHBondContact O-N 2.92Å; K489-Q492 PolarHBondContact O-N 2.95Å; V490-Q492 VanDerWaalsContact C-N 3.33Å; V490-Q492 PolarHBondContact O-N 2.93Å; Q492-L494 PolarHBondContact O-N 2.81Å; Q492-L494 VanDerWaalsContact O-N 3.14Å; Q492-V495 WeakPolarHBondContact O-CB 3.33Å; Q492-V495 PolarHBondContact O-N 2.84Å; Q492-D496 VanDerWaalsContact O-CG 3.29Å; Q492-D496 PolarHBondContact O-N 2.94Å
493F57.7Low52.8Low157 Ų15763.3 Ų63.369%0.68938%0.38SS*.Hα-helixtrans-55-33.2172.9-81.9-62.8000112.9K489 G497K489-F493 WeakPolarHBondContact O-CD2 3.35Å; K489-F493 PolarHBondContact O-N 3.13Å; F493-G497 PolarHBondContact O-N 3.29Å
494L51.2Low52.5Low94 Ų9463.6 Ų63.649%0.49238%0.377SS..Hα-helixtrans-77.1-34.5179-148.9143.2000112.1V490 S491 Q492 V498 I607V490-L494 WeakPolarHBondContact O-CB 3.33Å; V490-L494 PolarHBondContact O-N 3.24Å; V490-L494 VanDerWaalsContact O-N 3.11Å; S491-L494 PolarHBondContact O-N 3.3Å; Q492-L494 PolarHBondContact O-N 2.81Å; Q492-L494 VanDerWaalsContact O-N 3.14Å; L494-V498 VanDerWaalsContact O-CG2 3.32Å; L494-V498 WeakPolarHBondContact O-CG2 3.3Å; L494-V498 PolarHBondContact O-N 3.48Å; L494-V498 VanDerWaalsContact O-N 3.14Å; L494-I607 HydrophobicContact CB-CD1 4.24Å; L494-I607 HydrophobicContact CD2-CD1 3.52Å; L494-I607 HydrophobicContact CD2-CG1 4.23Å; L494-I607 HydrophobicContact CD2-CG2 4.33Å; L494-I607 HydrophobicContact CG-CD1 4.49Å
495V53.8Low51.8Low18 Ų1865.3 Ų65.311%0.10939%0.387CS..Hα-helixtrans-63.4-47.7167.5172.10000110.9S491 Q492 G497 V498 C499 N603 I607S491-V495 WeakPolarHBondContact O-CG2 3.44Å; S491-V495 PolarHBondContact O-N 3.21Å; Q492-V495 WeakPolarHBondContact O-CB 3.33Å; Q492-V495 PolarHBondContact O-N 2.84Å; V495-G497 PolarHBondContact O-N 3.33Å; V495-V498 PolarHBondContact O-N 2.89Å; V495-C499 PolarHBondContact O-N 3.17Å; V495-C499 PolarHBondContact O-SG 3.47Å; V495-N603 HydrophobicContact CG2-CB 3.86Å; V495-I607 HydrophobicContact CG2-CD1 3.86Å; V495-I607 HydrophobicContact CG2-CG1 3.82Å
496D53Low51.2Low73 Ų7366.4 Ų66.439%0.3940%0.399SS..Hα-helixtrans-65.9-37.9-178.1-65.1-26.7000111.8Q492 C499 T500Q492-D496 VanDerWaalsContact O-CG 3.29Å; Q492-D496 PolarHBondContact O-N 2.94Å; D496-C499 PolarHBondContact O-N 3.39Å; D496-T500 WeakPolarHBondContact O-CB 3.42Å; D496-T500 PolarHBondContact O-N 3.13Å; D496-T500 PolarHBondContact O-OG1 2.97Å
497G51.4Low51.1Low35 Ų3572.8 Ų72.836%0.36142%0.417SS..Hα-helixtrans-61.6-44.2171.600000112.5F493 V495 T500 V501F493-G497 PolarHBondContact O-N 3.29Å; V495-G497 PolarHBondContact O-N 3.33Å; G497-T500 PolarHBondContact O-N 3.26Å; G497-V501 WeakPolarHBondContact O-CG2 3.46Å; G497-V501 PolarHBondContact O-N 2.98Å
498V48.7Very low51Low52 Ų5277.1 Ų77.132%0.31543%0.43SS..Hα-helixtrans-64.1-39.5174.7169.20000111.4L494 V495 V501 A502 K610L494-V498 VanDerWaalsContact O-CG2 3.32Å; L494-V498 WeakPolarHBondContact O-CG2 3.3Å; L494-V498 PolarHBondContact O-N 3.48Å; L494-V498 VanDerWaalsContact O-N 3.14Å; V495-V498 PolarHBondContact O-N 2.89Å; V498-V501 PolarHBondContact O-N 3.47Å; V498-A502 WeakPolarHBondContact O-CB 3.46Å; V498-A502 PolarHBondContact O-N 2.79Å; V498-K610 HydrophobicContact CG1-CB 4.46Å
499C43.8Very low50.3Low32 Ų3281.4 Ų81.422%0.21645%0.451CS..Hα-helixtrans-64.8-42.1174.8-61.60000111.8V495 D496 A502 N503 K610V495-C499 PolarHBondContact O-N 3.17Å; V495-C499 PolarHBondContact O-SG 3.47Å; D496-C499 PolarHBondContact O-N 3.39Å; C499-A502 PolarHBondContact O-N 3.03Å; C499-N503 WeakPolarHBondContact O-CB 3.42Å; C499-N503 VanDerWaalsContact O-CG 3.29Å; C499-N503 PolarHBondContact O-N 2.84Å; C499-N503 PolarHBondContact O-ND2 3.48Å; C499-K610 PolarHBondContact SG-NZ 2.88Å
500T48Very low49.8Very low83 Ų8377.2 Ų77.251%0.50944%0.443SS..Hα-helixtrans-61.9-46.8176.4-56.60000111.1D496 G497 A502 N503 C504D496-T500 WeakPolarHBondContact O-CB 3.42Å; D496-T500 PolarHBondContact O-N 3.13Å; D496-T500 PolarHBondContact O-OG1 2.97Å; G497-T500 PolarHBondContact O-N 3.26Å; T500-A502 VanDerWaalsContact C-N 3.35Å; T500-A502 PolarHBondContact O-N 3.31Å; T500-N503 PolarHBondContact O-N 3.47Å; T500-C504 PolarHBondContact O-N 3.2Å; T500-C504 PolarHBondContact O-SG 2.9Å; T500-C504 VanDerWaalsContact O-SG 3.33Å
501V47.1Very low49.6Very low82 Ų8275.1 Ų75.150%0.49743%0.431SS..Hα-helixtrans-63-39.9175.51720000111.5G497 V498 V505G497-V501 WeakPolarHBondContact O-CG2 3.46Å; G497-V501 PolarHBondContact O-N 2.98Å; V498-V501 PolarHBondContact O-N 3.47Å; V501-V505 HydrophobicContact CG1-CG2 4.39Å; V501-V505 WeakPolarHBondContact O-CB 3.24Å; V501-V505 VanDerWaalsContact O-CG2 3.26Å; V501-V505 WeakPolarHBondContact O-CG2 3.49Å; V501-V505 PolarHBondContact O-N 2.96Å
502A48.1Very low49.1Very low51 Ų5180.4 Ų80.442%0.42146%0.455SS..Hα-helixtrans-63-44.3175.400000112.1V498 C499 T500 V505 G506V498-A502 WeakPolarHBondContact O-CB 3.46Å; V498-A502 PolarHBondContact O-N 2.79Å; C499-A502 PolarHBondContact O-N 3.03Å; T500-A502 VanDerWaalsContact C-N 3.35Å; T500-A502 PolarHBondContact O-N 3.31Å; A502-V505 PolarHBondContact O-N 3.41Å; A502-G506 PolarHBondContact O-N 3.14Å
503N44.9Very low49Very low106 Ų10679.9 Ų79.957%0.56746%0.459SS*.Hα-helixtrans-65.7-40.8178-73.8-18.6000112.4C499 T500 G506 K507C499-N503 WeakPolarHBondContact O-CB 3.42Å; C499-N503 VanDerWaalsContact O-CG 3.29Å; C499-N503 PolarHBondContact O-N 2.84Å; C499-N503 PolarHBondContact O-ND2 3.48Å; T500-N503 PolarHBondContact O-N 3.47Å; N503-G506 PolarHBondContact O-N 2.96Å; N503-K507 WeakPolarHBondContact O-CB 3.47Å; N503-K507 WeakPolarHBondContact O-CG 3.34Å; N503-K507 PolarHBondContact O-N 3.06Å
504C46.6Very low48.5Very low72 Ų7278.2 Ų78.249%0.48645%0.451SS..Hα-helixtrans-65-45.4174.2-680000111.6T500 G506 K507 E508T500-C504 PolarHBondContact O-N 3.2Å; T500-C504 PolarHBondContact O-SG 2.9Å; T500-C504 VanDerWaalsContact O-SG 3.33Å; C504-G506 VanDerWaalsContact C-N 3.34Å; C504-G506 PolarHBondContact O-N 3.38Å; C504-K507 PolarHBondContact O-N 3.31Å; C504-E508 WeakPolarHBondContact O-CB 3.46Å; C504-E508 WeakPolarHBondContact O-CG 3.01Å; C504-E508 PolarHBondContact O-N 2.91Å
505V45.8Very low48.4Very low59 Ų5981.2 Ų81.236%0.35846%0.46SS..Hα-helixtrans-61.8-40.6176.31690000111.4V501 A502 L509V501-V505 HydrophobicContact CG1-CG2 4.39Å; V501-V505 WeakPolarHBondContact O-CB 3.24Å; V501-V505 VanDerWaalsContact O-CG2 3.26Å; V501-V505 WeakPolarHBondContact O-CG2 3.49Å; V501-V505 PolarHBondContact O-N 2.96Å; A502-V505 PolarHBondContact O-N 3.41Å; V505-L509 HydrophobicContact CG1-CD1 3.63Å; V505-L509 HydrophobicContact CG1-CG 4.23Å; V505-L509 VanDerWaalsContact O-CB 3.28Å; V505-L509 WeakPolarHBondContact O-CB 3.29Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.41Å; V505-L509 PolarHBondContact O-N 3.21Å
506G49.4Very low48.1Very low41 Ų4187.1 Ų87.142%0.42349%0.486SS..Hα-helixtrans-61.5-45.8173.800000112.8A502 N503 C504 A510A502-G506 PolarHBondContact O-N 3.14Å; N503-G506 PolarHBondContact O-N 2.96Å; C504-G506 VanDerWaalsContact C-N 3.34Å; C504-G506 PolarHBondContact O-N 3.38Å; G506-A510 WeakPolarHBondContact O-CB 3.38Å; G506-A510 PolarHBondContact O-N 2.85Å
507K52.1Low47.6Very low168 Ų16884.8 Ų84.873%0.7348%0.479SS*.Hα-helixtrans-67.1-33.6178.7-74.9-179.5177.8-174.10113.8N503 C504 P511N503-K507 WeakPolarHBondContact O-CB 3.47Å; N503-K507 WeakPolarHBondContact O-CG 3.34Å; N503-K507 PolarHBondContact O-N 3.06Å; C504-K507 PolarHBondContact O-N 3.31Å; K507-P511 WeakPolarHBondContact O-CD 3.32Å
508E53.1Low47.4Very low132 Ų13287 Ų8762%0.61749%0.49SS*.Hα-helixtrans-81.2-32.3177.4-72.9-64.1159.600113.4C504 P511 H512C504-E508 WeakPolarHBondContact O-CB 3.46Å; C504-E508 WeakPolarHBondContact O-CG 3.01Å; C504-E508 PolarHBondContact O-N 2.91Å; E508-P511 WeakPolarHBondContact O-CD 3.4Å; E508-P511 WeakPolarHBondContact O-CG 3.25Å; E508-H512 PolarHBondContact O-ND1 3Å
509L45.1Very low47.3Very low99 Ų9993.7 Ų93.752%0.51851%0.514SS..Hα-helixtrans-73.5-41.8174.8-73.5174.8000112V505 H512 V513V505-L509 HydrophobicContact CG1-CD1 3.63Å; V505-L509 HydrophobicContact CG1-CG 4.23Å; V505-L509 VanDerWaalsContact O-CB 3.28Å; V505-L509 WeakPolarHBondContact O-CB 3.29Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.41Å; V505-L509 PolarHBondContact O-N 3.21Å; L509-H512 WeakPolarHBondContact O-CA 3.33Å; L509-H512 WeakPolarHBondContact O-CB 3.49Å; L509-H512 PolarHBondContact O-N 3.48Å; L509-V513 VanDerWaalsContact O-CG2 3.25Å; L509-V513 WeakPolarHBondContact O-CG2 3.11Å; L509-V513 PolarHBondContact O-N 2.94Å
510A45.9Very low47.5Very low54 Ų5497.7 Ų97.745%0.44653%0.533SS..Hα-helixtrans-46-51-178.900000114.8G506 H512 K514G506-A510 WeakPolarHBondContact O-CB 3.38Å; G506-A510 PolarHBondContact O-N 2.85Å; A510-H512 VanDerWaalsContact C-N 3.29Å; A510-H512 PolarHBondContact O-N 2.91Å; A510-K514 VanDerWaalsContact O-CB 3.22Å; A510-K514 WeakPolarHBondContact O-CB 3.38Å; A510-K514 PolarHBondContact O-N 3.47Å
511P47.5Very low47.5Very low54 Ų5495.8 Ų95.835%0.35152%0.521SS..Hα-helixtrans-70-20.2176.728.7-36.3000114.1K507 E508 K515K507-P511 WeakPolarHBondContact O-CD 3.32Å; E508-P511 WeakPolarHBondContact O-CD 3.4Å; E508-P511 WeakPolarHBondContact O-CG 3.25Å; P511-K515 WeakPolarHBondContact O-CB 3.45Å; P511-K515 VanDerWaalsContact O-CG 3.3Å; P511-K515 WeakPolarHBondContact O-CG 3.21Å; P511-K515 PolarHBondContact O-N 3.14Å
512H44.9Very low47.5Very low118 Ų11895.1 Ų95.155%0.54652%0.519SS..Hα-helixtrans-79.3-45.8174.1-81.792.8000112.1E508 L509 A510 K514 K515 H516E508-H512 PolarHBondContact O-ND1 3Å; L509-H512 WeakPolarHBondContact O-CA 3.33Å; L509-H512 WeakPolarHBondContact O-CB 3.49Å; L509-H512 PolarHBondContact O-N 3.48Å; A510-H512 VanDerWaalsContact C-N 3.29Å; A510-H512 PolarHBondContact O-N 2.91Å; H512-K514 VanDerWaalsContact C-N 3.29Å; H512-K514 PolarHBondContact O-N 2.9Å; H512-K515 PolarHBondContact O-N 3.2Å; H512-K515 VanDerWaalsContact O-N 3.11Å; H512-H516 PolarHBondContact O-N 3.41Å
513V50.9Low47.7Very low98 Ų98100 Ų10059%0.59453%0.533SS*.Hα-helixtrans-61-42.2173.8-147.90000110.1L509 K515 H516 G517L509-V513 VanDerWaalsContact O-CG2 3.25Å; L509-V513 WeakPolarHBondContact O-CG2 3.11Å; L509-V513 PolarHBondContact O-N 2.94Å; V513-K515 PolarHBondContact O-N 3.49Å; V513-H516 PolarHBondContact O-N 2.88Å; V513-G517 WeakPolarHBondContact O-CA 3.37Å; V513-G517 PolarHBondContact O-N 3.39Å
514K46.3Very low47.9Very low121 Ų121100 Ų10053%0.52654%0.542SS..Hα-helixtrans-62.2-22.4176.3-168.3177.8179.7-171.40114.1E411 A510 H512E411-K514 IonicContact OE1-NZ 3.73Å; E411-K514 IonicContact OE2-NZ 3.22Å; E411-K514 PolarHBondContact OE2-NZ 3.08Å; A510-K514 VanDerWaalsContact O-CB 3.22Å; A510-K514 WeakPolarHBondContact O-CB 3.38Å; A510-K514 PolarHBondContact O-N 3.47Å; H512-K514 VanDerWaalsContact C-N 3.29Å; H512-K514 PolarHBondContact O-N 2.9Å
515K50.7Low48.1Very low158 Ų15899.7 Ų99.769%0.68753%0.534SS*.Hα-helixtrans-95.4-25.3-179-84.8176.5177.4173.80115.3P511 H512 V513P511-K515 WeakPolarHBondContact O-CB 3.45Å; P511-K515 VanDerWaalsContact O-CG 3.3Å; P511-K515 WeakPolarHBondContact O-CG 3.21Å; P511-K515 PolarHBondContact O-N 3.14Å; H512-K515 PolarHBondContact O-N 3.2Å; H512-K515 VanDerWaalsContact O-N 3.11Å; V513-K515 PolarHBondContact O-N 3.49Å
516H47.2Very low48.3Very low141 Ų141102.2 Ų102.265%0.65354%0.541SS*.Hα-helixtrans-113.5-29.8178.5-81.977.1000113.6H512 V513 S518 K519H512-H516 PolarHBondContact O-N 3.41Å; V513-H516 PolarHBondContact O-N 2.88Å; H516-S518 PolarHBondContact O-N 3.45Å; H516-K519 PolarHBondContact O-N 3.45Å
517G42.1Very low48.6Very low24 Ų24107.1 Ų107.125%0.24755%0.55CS.*G310 helixtrans-63-25.7178.800000113.8V513 K519 L520 V521V513-G517 WeakPolarHBondContact O-CA 3.37Å; V513-G517 PolarHBondContact O-N 3.39Å; G517-K519 PolarHBondContact O-N 3.13Å; G517-L520 WeakPolarHBondContact O-CA 3.17Å; G517-L520 PolarHBondContact O-N 3.36Å; G517-V521 WeakPolarHBondContact O-CG2 3.08Å; G517-V521 PolarHBondContact O-N 2.9Å
518S46.2Very low48.7Very low83 Ų83104.4 Ų104.458%0.5854%0.544SS*.G310 helixtrans-62.9-8.7177.557.20000115.1H516H516-S518 PolarHBondContact O-N 3.45Å
519K47.5Very low48.8Very low191 Ų191108.4 Ų108.483%0.8356%0.559SS**G310 helixtrans-96.3-9.9170.1-68.1-176175.2-176.70114.3H516 G517H516-K519 PolarHBondContact O-N 3.45Å; G517-K519 PolarHBondContact O-N 3.13Å
520L48Very low49.2Very low117 Ų117109.6 Ų109.661%0.61357%0.566SS**SBendtrans-107.96176.9-72.6161.3000111.9G517 P522G517-L520 WeakPolarHBondContact O-CA 3.17Å; G517-L520 PolarHBondContact O-N 3.36Å; L520-P522 WeakPolarHBondContact O-CD 3.41Å
521V48.6Very low49.7Very low42 Ų42108.4 Ų108.426%0.25556%0.559SS.*SBendtrans-76.1121.5173.9176.90000109G517 L525G517-V521 WeakPolarHBondContact O-CG2 3.08Å; G517-V521 PolarHBondContact O-N 2.9Å; V521-L525 HydrophobicContact CG1-CB 3.52Å; V521-L525 WeakPolarHBondContact CG1-O 3.4Å
522P46.1Very low50.3Low69 Ų69108.8 Ų108.845%0.44856%0.555SS.*  trans-53.9152.3171.8-26.335.1000112.1L520 S524 L525L520-P522 WeakPolarHBondContact O-CD 3.41Å; P522-S524 PolarHBondContact O-N 3.32Å; P522-S524 VanDerWaalsContact O-N 3.13Å; P522-L525 PolarHBondContact O-N 2.94Å
523E52Low51.1Low153 Ų153103.7 Ų103.772%0.71553%0.533SS*.G310 helixtrans-60.2-28.3179.5-60.8-142116.600112.9L525 K526E523-L525 PolarHBondContact O-N 3.36Å; E523-K526 HydrophobicContact CB-CD 4.34Å; E523-K526 HydrophobicContact CG-CD 4.46Å; E523-K526 WeakPolarHBondContact O-CB 3.28Å; E523-K526 PolarHBondContact O-N 3.23Å; E523-K526 IonicContact OE1-NZ 3.26Å; E523-K526 PolarHBondContact OE1-NZ 3.45Å
524S50.3Low51.7Low107 Ų107101.4 Ų101.475%0.74852%0.52SS*.G310 helixtrans-70.8-5172.751.70000115.7P522P522-S524 PolarHBondContact O-N 3.32Å; P522-S524 VanDerWaalsContact O-N 3.13Å
525L49.5Very low52.4Low64 Ų64100.2 Ų100.234%0.33552%0.519SS..G310 helixtrans-11812173-76.7175.2000112.6V521 P522 E523 P534V521-L525 HydrophobicContact CG1-CB 3.52Å; V521-L525 WeakPolarHBondContact CG1-O 3.4Å; P522-L525 PolarHBondContact O-N 2.94Å; E523-L525 PolarHBondContact O-N 3.36Å; L525-P534 HydrophobicContact CD2-CB 3.83Å; L525-P534 HydrophobicContact CD2-CG 4.05Å
526K51.6Low52.9Low113 Ų11395 Ų9549%0.49150%0.499SS..SBendtrans-67.1157164.4-68.1177.8177.8-176.50109.4E523 D528E523-K526 HydrophobicContact CB-CD 4.34Å; E523-K526 HydrophobicContact CG-CD 4.46Å; E523-K526 WeakPolarHBondContact O-CB 3.28Å; E523-K526 PolarHBondContact O-N 3.23Å; E523-K526 IonicContact OE1-NZ 3.26Å; E523-K526 PolarHBondContact OE1-NZ 3.45Å; K526-D528 PolarHBondContact O-N 3.04Å
527K55.1Low53.5Low143 Ų14388.3 Ų88.362%0.62247%0.468SS*.PPolyproline II helixtrans-56.4133.6178.8-69.1179.1164.3-125.90110.7G531K527-G531 WeakPolarHBondContact CD-O 3.46Å; K527-G531 VanDerWaalsContact CE-O 3.32Å; K527-G531 WeakPolarHBondContact CE-O 3.28Å; K527-G531 PolarHBondContact NZ-O 2.94Å
528D54.6Low54.8Low112 Ų11289.7 Ų89.760%0.59948%0.476SS*.PPolyproline II helixtrans-61.9169.6163-89-56.8000110.9K526 D530 G531 K532K526-D528 PolarHBondContact O-N 3.04Å; D528-D530 PolarHBondContact O-N 2.9Å; D528-G531 PolarHBondContact O-N 2.86Å; D528-K532 PolarHBondContact N-O 3.21Å
529K54.8Low55.7Low216 Ų21691.4 Ų91.494%0.93948%0.477SS*.THydrogen-bonded Turntrans-54.3-29.3-179.4-70.2175.4-179.7169.50113G531K529-G531 VanDerWaalsContact C-N 3.29Å; K529-G531 PolarHBondContact O-N 3.43Å
530D53.9Low56.7Low124 Ų12483.8 Ų83.866%0.66345%0.446SS*.THydrogen-bonded Turntrans-87.210.9179.3-49.6-45.5000113.4D528 K532D528-D530 PolarHBondContact O-N 2.9Å; D530-K532 PolarHBondContact O-N 3.32Å
531G56.8Low57.7Low29 Ų2979.6 Ų79.630%0.29943%0.426SS..SBendtrans74-13.8171.200000116.4K527 D528 K529K527-G531 WeakPolarHBondContact CD-O 3.46Å; K527-G531 VanDerWaalsContact CE-O 3.32Å; K527-G531 WeakPolarHBondContact CE-O 3.28Å; K527-G531 PolarHBondContact NZ-O 2.94Å; D528-G531 PolarHBondContact O-N 2.86Å; K529-G531 VanDerWaalsContact C-N 3.29Å; K529-G531 PolarHBondContact O-N 3.43Å
532K58.4Low58.5Low61 Ų6180 Ų8027%0.26543%0.433SS..  trans-60.5145.6170.7-66172.1-179.31790110E418 D528 D530E418-K532 IonicContact OE1-NZ 2.97Å; E418-K532 PolarHBondContact OE1-NZ 2.94Å; D528-K532 PolarHBondContact N-O 3.21Å; D530-K532 PolarHBondContact O-N 3.32Å
533S62.5Low59.3Low11 Ų1179.5 Ų79.58%0.07744%0.435CS..  trans-126.2135.9176.11000000111.3L535 D536 G537S533-L535 PolarHBondContact O-N 2.82Å; S533-D536 WeakPolarHBondContact CB-OD2 3.47Å; S533-D536 PolarHBondContact O-N 3.41Å; S533-D536 VanDerWaalsContact OG-CG 3.3Å; S533-D536 PolarHBondContact OG-N 3.34Å; S533-D536 PolarHBondContact OG-OD2 3.35Å; S533-G537 PolarHBondContact O-N 2.87Å
534P63.3Low60Low50 Ų5072.9 Ų72.933%0.32541%0.405SS..Hα-helixtrans-63.3-26.8174.6-22.733.6000112.8L525 G537 A538L525-P534 HydrophobicContact CD2-CB 3.83Å; L525-P534 HydrophobicContact CD2-CG 4.05Å; P534-G537 PolarHBondContact O-N 3.06Å; P534-A538 WeakPolarHBondContact O-CB 3.26Å; P534-A538 PolarHBondContact O-N 3.4Å
535L61.5Low60.7Low96 Ų9670.4 Ų70.450%0.50339%0.388SS..Hα-helixtrans-66.4-45.5178.6-173.874000112.2S533 G537 A538 M539S533-L535 PolarHBondContact O-N 2.82Å; L535-G537 VanDerWaalsContact C-N 3.29Å; L535-G537 PolarHBondContact O-N 3.24Å; L535-A538 PolarHBondContact O-N 3.48Å; L535-M539 WeakPolarHBondContact O-CB 3.39Å; L535-M539 PolarHBondContact O-N 3.07Å
536D60.4Low61.6Low50 Ų5072.4 Ų72.427%0.26740%0.403SS..Hα-helixtrans-63-39.4176.2-69.7-66.8000110.5L416 S533 M539 V540L416-D536 HydrophobicContact CD2-CB 4.04Å; S533-D536 WeakPolarHBondContact CB-OD2 3.47Å; S533-D536 PolarHBondContact O-N 3.41Å; S533-D536 VanDerWaalsContact OG-CG 3.3Å; S533-D536 PolarHBondContact OG-N 3.34Å; S533-D536 PolarHBondContact OG-OD2 3.35Å; D536-M539 PolarHBondContact O-N 2.91Å; D536-V540 WeakPolarHBondContact O-CG2 3.39Å; D536-V540 PolarHBondContact O-N 3.36Å
537G60.8Low62.2Low0 Ų072.3 Ų72.30%040%0.404CS..Hα-helixtrans-64.6-46175.200000113.5S420 S533 P534 L535 M539 V540 V541S420-G537 WeakPolarHBondContact CB-O 3.4Å; S420-G537 VanDerWaalsContact OG-CA 3.31Å; S420-G537 WeakPolarHBondContact OG-CA 3.5Å; S533-G537 PolarHBondContact O-N 2.87Å; P534-G537 PolarHBondContact O-N 3.06Å; L535-G537 VanDerWaalsContact C-N 3.29Å; L535-G537 PolarHBondContact O-N 3.24Å; G537-M539 VanDerWaalsContact C-N 3.29Å; G537-M539 PolarHBondContact O-N 2.83Å; G537-V540 PolarHBondContact O-N 3.06Å; G537-V541 PolarHBondContact O-N 2.99Å
538A68.4Low62.7Low52 Ų5265.6 Ų65.643%0.4338%0.376SS..Hα-helixtrans-60.7-38.4174.500000112P534 L535 V541 A542P534-A538 WeakPolarHBondContact O-CB 3.26Å; P534-A538 PolarHBondContact O-N 3.4Å; L535-A538 PolarHBondContact O-N 3.48Å; A538-V541 PolarHBondContact O-N 3.12Å; A538-A542 VanDerWaalsContact O-CB 3.3Å; A538-A542 WeakPolarHBondContact O-CB 3.26Å; A538-A542 PolarHBondContact O-N 2.86Å
539M66Low63.5Low119 Ų11967 Ų6759%0.58638%0.377SS*.Hα-helixtrans-64.7-39.6175.1-175.3-177.660.200112.2L535 D536 G537 A542 A543L535-M539 WeakPolarHBondContact O-CB 3.39Å; L535-M539 PolarHBondContact O-N 3.07Å; D536-M539 PolarHBondContact O-N 2.91Å; G537-M539 VanDerWaalsContact C-N 3.29Å; G537-M539 PolarHBondContact O-N 2.83Å; M539-A542 PolarHBondContact O-N 2.89Å; M539-A543 WeakPolarHBondContact O-CB 3.42Å; M539-A543 PolarHBondContact O-N 3.17Å
540V68.5Low64Low31 Ų3159.6 Ų59.619%0.18835%0.352CS..Hα-helixtrans-66.5-43.1176.5165.50000111.8L416 A424 D536 G537 A543 S544L416-V540 HydrophobicContact CD1-CG2 3.83Å; L416-V540 HydrophobicContact CD2-CG2 3.84Å; L416-V540 HydrophobicContact CG-CG2 4.48Å; A424-V540 HydrophobicContact CB-CG1 3.83Å; D536-V540 WeakPolarHBondContact O-CG2 3.39Å; D536-V540 PolarHBondContact O-N 3.36Å; G537-V540 PolarHBondContact O-N 3.06Å; V540-A543 PolarHBondContact O-N 3.28Å; V540-S544 WeakPolarHBondContact O-CB 3.42Å; V540-S544 PolarHBondContact O-N 3.15Å; V540-S544 PolarHBondContact O-OG 2.91Å
541V67.9Low64.8Low30 Ų3054.6 Ų54.618%0.18233%0.326CS..Hα-helixtrans-64.2-40.8174.2174.20000111.2W419 V423 I427 G537 A538 S544 S545W419-V541 HydrophobicContact CZ3-CG2 4.12Å; V423-V541 HydrophobicContact CB-CG2 4.05Å; V423-V541 HydrophobicContact CG1-CG1 3.89Å; V423-V541 HydrophobicContact CG1-CG2 3.82Å; I427-V541 HydrophobicContact CD1-CG1 4.05Å; G537-V541 PolarHBondContact O-N 2.99Å; A538-V541 PolarHBondContact O-N 3.12Å; V541-S544 PolarHBondContact O-N 3.04Å; V541-S545 PolarHBondContact O-N 3.28Å; V541-S545 PolarHBondContact O-OG 3.44Å
542A65.7Low65.7Low51 Ų5155.4 Ų55.442%0.42133%0.325SS..Hα-helixtrans-67.3-37.4176.900000113.4A538 M539 S544 S545 V546A538-A542 VanDerWaalsContact O-CB 3.3Å; A538-A542 WeakPolarHBondContact O-CB 3.26Å; A538-A542 PolarHBondContact O-N 2.86Å; M539-A542 PolarHBondContact O-N 2.89Å; A542-S544 VanDerWaalsContact C-N 3.33Å; A542-S545 PolarHBondContact O-OG 2.8Å; A542-S545 VanDerWaalsContact O-OG 3.09Å; A542-V546 WeakPolarHBondContact O-CG2 3.33Å; A542-V546 PolarHBondContact O-N 2.96Å
543A64.1Low66.3Low58 Ų5857 Ų5748%0.47933%0.33SS..Hα-helixtrans-64.9-40.817200000111.3M539 V540 V546 Q547M539-A543 WeakPolarHBondContact O-CB 3.42Å; M539-A543 PolarHBondContact O-N 3.17Å; V540-A543 PolarHBondContact O-N 3.28Å; A543-V546 PolarHBondContact O-N 2.89Å; A543-Q547 WeakPolarHBondContact O-CB 3.41Å; A543-Q547 PolarHBondContact O-N 3.15Å
544S65.6Low66.6Low13 Ų1361.9 Ų61.99%0.09135%0.351CS..Hα-helixtrans-75.5-26.9-176.8-560000113.4A424 I427 V540 V541 A542 G548A424-S544 WeakPolarHBondContact CB-OG 3.28Å; I427-S544 WeakPolarHBondContact CG2-O 3.44Å; V540-S544 WeakPolarHBondContact O-CB 3.42Å; V540-S544 PolarHBondContact O-N 3.15Å; V540-S544 PolarHBondContact O-OG 2.91Å; V541-S544 PolarHBondContact O-N 3.04Å; A542-S544 VanDerWaalsContact C-N 3.33Å; S544-G548 PolarHBondContact O-N 2.88Å
545S64.9Low67.1Low56 Ų5659.5 Ų59.539%0.39234%0.336SS..Hα-helixtrans-73.2-37.3170.366.10000112.6V541 A542 F549V541-S545 PolarHBondContact O-N 3.28Å; V541-S545 PolarHBondContact O-OG 3.44Å; A542-S545 PolarHBondContact O-OG 2.8Å; A542-S545 VanDerWaalsContact O-OG 3.09Å; S545-F549 WeakPolarHBondContact O-CB 3.47Å; S545-F549 PolarHBondContact O-N 3.48Å
546V68.3Low67.9Low105 Ų10558.8 Ų58.864%0.63633%0.332SS*.Hα-helixtrans-64.4-44.5171171.90000111A542 A543 S550A542-V546 WeakPolarHBondContact O-CG2 3.33Å; A542-V546 PolarHBondContact O-N 2.96Å; A543-V546 PolarHBondContact O-N 2.89Å; V546-S550 PolarHBondContact O-N 3.28Å
547Q65.7Low68.4Low111 Ų11160.1 Ų60.152%0.51934%0.337SS..Hα-helixtrans-66.9-43.4176.6-178.3177.3-34.300111.8L428 A543 F549 S550 T551L428-Q547 HydrophobicContact CD2-CB 3.83Å; L428-Q547 HydrophobicContact CD2-CG 3.6Å; A543-Q547 WeakPolarHBondContact O-CB 3.41Å; A543-Q547 PolarHBondContact O-N 3.15Å; Q547-F549 PolarHBondContact O-N 3.27Å; Q547-S550 CarbonylContact O-C 3.57Å; Q547-S550 WeakPolarHBondContact O-CA 3.49Å; Q547-S550 VanDerWaalsContact O-CB 3.28Å; Q547-S550 WeakPolarHBondContact O-CB 3.36Å; Q547-S550 PolarHBondContact O-N 2.88Å; Q547-T551 PolarHBondContact O-N 3Å; Q547-T551 PolarHBondContact O-OG1 3.5Å
548G65.5Low69.3Low3 Ų362.7 Ų62.73%0.03135%0.354CS..Hα-helixtrans-60.9-44.1175.600000112.6A431 S544 S550 T551 V552A431-G548 VanDerWaalsContact CB-O 3.3Å; A431-G548 WeakPolarHBondContact CB-O 3.49Å; S544-G548 PolarHBondContact O-N 2.88Å; G548-S550 VanDerWaalsContact C-N 3.29Å; G548-S550 PolarHBondContact O-N 3.16Å; G548-T551 PolarHBondContact O-N 2.76Å; G548-T551 VanDerWaalsContact O-N 3.16Å; G548-V552 PolarHBondContact O-N 2.97Å
549F70.1Confident69.8Low140 Ų14060.5 Ų60.561%0.61434%0.336SS*.Hα-helixtrans-58.4-41.9170.9178.7-92.5000111.6S545 Q547 T551 V552 W553S545-F549 WeakPolarHBondContact O-CB 3.47Å; S545-F549 PolarHBondContact O-N 3.48Å; Q547-F549 PolarHBondContact O-N 3.27Å; F549-T551 PolarHBondContact O-N 3.35Å; F549-V552 PolarHBondContact O-N 2.97Å; F549-W553 HydrophobicContact CE1-CB 4.41Å; F549-W553 HydrophobicContact CE1-CE3 4.47Å; F549-W553 HydrophobicContact CZ-CE3 4Å; F549-W553 VanDerWaalsContact O-CB 3.24Å; F549-W553 WeakPolarHBondContact O-CB 3.41Å; F549-W553 PolarHBondContact O-N 2.95Å
550S65.8Low70.4Confident62 Ų6257.1 Ų57.143%0.43433%0.327SS..Hα-helixtrans-62.4-39.4175.3-163.20000112.6V546 Q547 G548 W553 Q554V546-S550 PolarHBondContact O-N 3.28Å; Q547-S550 CarbonylContact O-C 3.57Å; Q547-S550 WeakPolarHBondContact O-CA 3.49Å; Q547-S550 VanDerWaalsContact O-CB 3.28Å; Q547-S550 WeakPolarHBondContact O-CB 3.36Å; Q547-S550 PolarHBondContact O-N 2.88Å; G548-S550 VanDerWaalsContact C-N 3.29Å; G548-S550 PolarHBondContact O-N 3.16Å; S550-W553 PolarHBondContact O-N 2.7Å; S550-Q554 VanDerWaalsContact O-CB 3.23Å; S550-Q554 WeakPolarHBondContact O-CB 3.26Å; S550-Q554 PolarHBondContact O-N 3.49Å
551T71.2Confident71.1Confident18 Ų1860.6 Ų60.611%0.1134%0.34CS..Hα-helixtrans-66.8-43.6177.3-62.40000112A431 S435 Q547 G548 F549 G555A431-T551 HydrophobicContact CB-CG2 4.41Å; S435-T551 VanDerWaalsContact CB-O 3.27Å; S435-T551 WeakPolarHBondContact CB-O 3.48Å; S435-T551 PolarHBondContact OG-O 2.92Å; Q547-T551 PolarHBondContact O-N 3Å; Q547-T551 PolarHBondContact O-OG1 3.5Å; G548-T551 PolarHBondContact O-N 2.76Å; G548-T551 VanDerWaalsContact O-N 3.16Å; F549-T551 PolarHBondContact O-N 3.35Å; T551-G555 PolarHBondContact O-N 3.33Å
552V74.7Confident71.7Confident47 Ų4760.5 Ų60.529%0.28534%0.34SS..Hα-helixtrans-63.8-44.1173.2175.40000110.7A431 V434 G548 F549 Q554 G555 L556A431-V552 HydrophobicContact CB-CG2 3.8Å; V434-V552 HydrophobicContact CB-CG2 4.26Å; V434-V552 HydrophobicContact CG1-CG1 4.03Å; V434-V552 HydrophobicContact CG1-CG2 4.26Å; G548-V552 PolarHBondContact O-N 2.97Å; F549-V552 PolarHBondContact O-N 2.97Å; V552-Q554 PolarHBondContact O-N 3.09Å; V552-G555 PolarHBondContact O-N 3.04Å; V552-L556 PolarHBondContact O-N 3.4Å
553W70.5Confident72.5Confident94 Ų9461.2 Ų61.236%0.35634%0.336SS..Hα-helixtrans-60.7-46.1178.3-173.3-85.3000112F549 S550 G555 L556 E557 Y602F549-W553 HydrophobicContact CE1-CB 4.41Å; F549-W553 HydrophobicContact CE1-CE3 4.47Å; F549-W553 HydrophobicContact CZ-CE3 4Å; F549-W553 VanDerWaalsContact O-CB 3.24Å; F549-W553 WeakPolarHBondContact O-CB 3.41Å; F549-W553 PolarHBondContact O-N 2.95Å; S550-W553 PolarHBondContact O-N 2.7Å; W553-G555 VanDerWaalsContact C-N 3.31Å; W553-G555 PolarHBondContact O-N 3.28Å; W553-L556 HydrophobicContact CH2-CD2 4.18Å; W553-L556 HydrophobicContact CZ3-CD2 4.11Å; W553-L556 WeakPolarHBondContact O-CB 3.36Å; W553-L556 PolarHBondContact O-N 3.03Å; W553-E557 WeakPolarHBondContact O-CB 3.49Å; W553-E557 PolarHBondContact O-N 3.18Å; W553-Y602 HydrophobicContact CZ2-CE2 4.41Å; W553-Y602 AromaticContact CZ2-CZ 3.75Å; W553-Y602 WeakPolarHBondContact CZ2-OH 3.26Å
554Q70.3Confident73.4Confident113 Ų11361.2 Ų61.253%0.52833%0.33SS..Hα-helixtrans-65-35.4177.7-173.7170-14.200111.8S550 V552 E557 C558S550-Q554 VanDerWaalsContact O-CB 3.23Å; S550-Q554 WeakPolarHBondContact O-CB 3.26Å; S550-Q554 PolarHBondContact O-N 3.49Å; V552-Q554 PolarHBondContact O-N 3.09Å; Q554-E557 PolarHBondContact O-N 3.03Å; Q554-C558 WeakPolarHBondContact O-CB 3.34Å; Q554-C558 PolarHBondContact O-N 2.85Å; Q554-C558 PolarHBondContact O-SG 2.84Å; Q554-C558 VanDerWaalsContact O-SG 3.33Å
555G72.7Confident74.4Confident1 Ų165.5 Ų65.51%0.0135%0.352CS..Hα-helixtrans-62.6-46.4171.200000112.9S435 V439 T551 V552 W553 E557 C558 A559S435-G555 WeakPolarHBondContact OG-CA 3.34Å; S435-G555 PolarHBondContact OG-N 3.05Å; V439-G555 WeakPolarHBondContact CG2-O 3.2Å; T551-G555 PolarHBondContact O-N 3.33Å; V552-G555 PolarHBondContact O-N 3.04Å; W553-G555 VanDerWaalsContact C-N 3.31Å; W553-G555 PolarHBondContact O-N 3.28Å; G555-E557 VanDerWaalsContact C-N 3.34Å; G555-E557 PolarHBondContact O-N 3.43Å; G555-C558 PolarHBondContact O-N 2.85Å; G555-A559 VanDerWaalsContact O-CB 3.27Å; G555-A559 WeakPolarHBondContact O-CB 3.46Å; G555-A559 PolarHBondContact O-N 3.33Å
556L79.1Confident75.5Confident80 Ų8065.2 Ų65.242%0.41935%0.346SS..Hα-helixtrans-60.7-42.1174.4-17963.5000111.9L438 V552 W553 A559 A560L438-L556 HydrophobicContact CD1-CB 4.24Å; V552-L556 PolarHBondContact O-N 3.4Å; W553-L556 HydrophobicContact CH2-CD2 4.18Å; W553-L556 HydrophobicContact CZ3-CD2 4.11Å; W553-L556 WeakPolarHBondContact O-CB 3.36Å; W553-L556 PolarHBondContact O-N 3.03Å; L556-A559 PolarHBondContact O-N 3.46Å; L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.48Å; L556-A560 PolarHBondContact O-N 2.97Å
557E70.4Confident76.4Confident78 Ų7863.1 Ų63.136%0.36433%0.333SS..Hα-helixtrans-65.5-41.9176.9-169.5-178.1145.100112W553 Q554 G555 K561W553-E557 WeakPolarHBondContact O-CB 3.49Å; W553-E557 PolarHBondContact O-N 3.18Å; Q554-E557 PolarHBondContact O-N 3.03Å; G555-E557 VanDerWaalsContact C-N 3.34Å; G555-E557 PolarHBondContact O-N 3.43Å; E557-K561 HydrophobicContact CG-CD 4.39Å; E557-K561 WeakPolarHBondContact O-CB 3.45Å; E557-K561 VanDerWaalsContact O-CG 3.26Å; E557-K561 WeakPolarHBondContact O-CG 3.27Å; E557-K561 PolarHBondContact O-N 3.25Å; E557-K561 VanDerWaalsContact OE1-CE 3.26Å; E557-K561 WeakPolarHBondContact OE1-CE 3.42Å; E557-K561 IonicContact OE1-NZ 2.63Å; E557-K561 PolarHBondContact OE1-NZ 3.35Å
558C79.9Confident77.4Confident54 Ų5458.5 Ų58.537%0.36531%0.313SS..Hα-helixtrans-66-41.7174.4-75.90000112.3V439 Q554 G555 K561 C562V439-C558 HydrophobicContact CG2-CB 3.65Å; Q554-C558 WeakPolarHBondContact O-CB 3.34Å; Q554-C558 PolarHBondContact O-N 2.85Å; Q554-C558 PolarHBondContact O-SG 2.84Å; Q554-C558 VanDerWaalsContact O-SG 3.33Å; G555-C558 PolarHBondContact O-N 2.85Å; C558-K561 PolarHBondContact O-N 3.13Å; C558-C562 WeakPolarHBondContact O-CB 3.29Å; C558-C562 PolarHBondContact O-N 3.11Å
559A78.8Confident78.6Confident6 Ų661 Ų615%0.0533%0.334CS..Hα-helixtrans-61.6-46.9174.800000111.7L438 A442 G555 L556 C562 I563L438-A559 HydrophobicContact CB-CB 4.09Å; L438-A559 WeakPolarHBondContact O-CB 3.22Å; A442-A559 HydrophobicContact CB-CB 3.77Å; A442-A559 WeakPolarHBondContact CB-O 3.38Å; G555-A559 VanDerWaalsContact O-CB 3.27Å; G555-A559 WeakPolarHBondContact O-CB 3.46Å; G555-A559 PolarHBondContact O-N 3.33Å; L556-A559 PolarHBondContact O-N 3.46Å; A559-C562 WeakPolarHBondContact O-CB 3.45Å; A559-C562 PolarHBondContact O-N 2.74Å; A559-I563 WeakPolarHBondContact O-CG1 3.46Å; A559-I563 PolarHBondContact O-N 3.46Å
560A79.7Confident79.5Confident48 Ų4854.8 Ų54.840%0.39731%0.307SS..Hα-helixtrans-61.2-45.917600000111.9L556 C562 I563 V564L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.48Å; L556-A560 PolarHBondContact O-N 2.97Å; A560-C562 VanDerWaalsContact C-N 3.33Å; A560-C562 PolarHBondContact O-N 3.22Å; A560-I563 PolarHBondContact O-N 3.29Å; A560-V564 WeakPolarHBondContact O-CB 3.44Å; A560-V564 VanDerWaalsContact O-CG2 3.29Å; A560-V564 WeakPolarHBondContact O-CG2 3.39Å; A560-V564 PolarHBondContact O-N 2.83Å
561K81.4Confident80.6Confident104 Ų10454.7 Ų54.745%0.45230%0.303SS..Hα-helixtrans-59.1-42174.1-75.4169.2-175.7168.60112E557 C558 V564 N565E557-K561 HydrophobicContact CG-CD 4.39Å; E557-K561 WeakPolarHBondContact O-CB 3.45Å; E557-K561 VanDerWaalsContact O-CG 3.26Å; E557-K561 WeakPolarHBondContact O-CG 3.27Å; E557-K561 PolarHBondContact O-N 3.25Å; E557-K561 VanDerWaalsContact OE1-CE 3.26Å; E557-K561 WeakPolarHBondContact OE1-CE 3.42Å; E557-K561 IonicContact OE1-NZ 2.63Å; E557-K561 PolarHBondContact OE1-NZ 3.35Å; C558-K561 PolarHBondContact O-N 3.13Å; K561-V564 PolarHBondContact O-N 3.11Å; K561-N565 VanDerWaalsContact O-CB 3.27Å; K561-N565 WeakPolarHBondContact O-CB 3.49Å; K561-N565 PolarHBondContact O-N 2.84Å; K561-N565 PolarHBondContact O-ND2 2.89Å
562C81.6Confident81.5Confident29 Ų2954.7 Ų54.720%0.19630%0.303CS..Hα-helixtrans-62-48.4177.6-173.20000111.5A442 C558 A559 A560 N565 N566A442-C562 HydrophobicContact CB-CB 3.99Å; C558-C562 WeakPolarHBondContact O-CB 3.29Å; C558-C562 PolarHBondContact O-N 3.11Å; A559-C562 WeakPolarHBondContact O-CB 3.45Å; A559-C562 PolarHBondContact O-N 2.74Å; A560-C562 VanDerWaalsContact C-N 3.33Å; A560-C562 PolarHBondContact O-N 3.22Å; C562-N565 PolarHBondContact O-N 3.39Å; C562-N566 WeakPolarHBondContact O-CB 3.44Å; C562-N566 PolarHBondContact O-N 2.84Å; C562-N566 PolarHBondContact O-ND2 3.07Å; C562-N566 PolarHBondContact SG-ND2 3.24Å; C562-N566 VanDerWaalsContact SG-ND2 3.42Å
563I82.5Confident82.3Confident65 Ų6556.9 Ų56.933%0.33331%0.311SS..Hα-helixtrans-61.8-48.2176.8-66.1168.2000110.8A442 A559 A560 N565 N566 V567A442-I563 HydrophobicContact CB-CD1 4.11Å; A442-I563 HydrophobicContact CB-CG1 3.85Å; A559-I563 WeakPolarHBondContact O-CG1 3.46Å; A559-I563 PolarHBondContact O-N 3.46Å; A560-I563 PolarHBondContact O-N 3.29Å; I563-N565 PolarHBondContact O-N 3.34Å; I563-N566 PolarHBondContact O-N 3.4Å; I563-V567 HydrophobicContact CG2-CG2 4.2Å; I563-V567 WeakPolarHBondContact O-CB 3.31Å; I563-V567 VanDerWaalsContact O-CG2 3.3Å; I563-V567 WeakPolarHBondContact O-CG2 3.2Å; I563-V567 PolarHBondContact O-N 3.34Å
564V82.9Confident83.1Confident58 Ų5853.5 Ų53.535%0.35230%0.3SS..Hα-helixtrans-61.3-43.6-179.4167.80000112A560 K561 S568 V595A560-V564 WeakPolarHBondContact O-CB 3.44Å; A560-V564 VanDerWaalsContact O-CG2 3.29Å; A560-V564 WeakPolarHBondContact O-CG2 3.39Å; A560-V564 PolarHBondContact O-N 2.83Å; K561-V564 PolarHBondContact O-N 3.11Å; V564-S568 WeakPolarHBondContact O-CB 3.29Å; V564-S568 PolarHBondContact O-N 3.16Å; V564-V595 HydrophobicContact CG1-CB 4.44Å; V564-V595 HydrophobicContact CG1-CG1 4.03Å; V564-V595 HydrophobicContact CG1-CG2 3.47Å; V564-V595 VanDerWaalsContact CG1-CG2 3.47Å
565N85.9Confident84.1Confident104 Ų10449.7 Ų49.756%0.55629%0.285SS*.Hα-helixtrans-64.6-44.2178-72.6-15.4000111.7K561 C562 I563 S568 A569K561-N565 VanDerWaalsContact O-CB 3.27Å; K561-N565 WeakPolarHBondContact O-CB 3.49Å; K561-N565 PolarHBondContact O-N 2.84Å; K561-N565 PolarHBondContact O-ND2 2.89Å; C562-N565 PolarHBondContact O-N 3.39Å; I563-N565 PolarHBondContact O-N 3.34Å; N565-S568 PolarHBondContact O-N 3.3Å; N565-A569 WeakPolarHBondContact O-CB 3.46Å; N565-A569 PolarHBondContact O-N 3.1Å
566N87.6Confident84.9Confident49 Ų4954.8 Ų54.826%0.26230%0.303SS..Hα-helixtrans-65.8-45.5178.2-74.3-49.8000112C562 I563 A569 E570C562-N566 WeakPolarHBondContact O-CB 3.44Å; C562-N566 PolarHBondContact O-N 2.84Å; C562-N566 PolarHBondContact O-ND2 3.07Å; C562-N566 PolarHBondContact SG-ND2 3.24Å; C562-N566 VanDerWaalsContact SG-ND2 3.42Å; I563-N566 PolarHBondContact O-N 3.4Å; N566-A569 PolarHBondContact O-N 3.09Å; N566-E570 WeakPolarHBondContact O-CB 3.26Å; N566-E570 WeakPolarHBondContact O-CG 3.28Å; N566-E570 PolarHBondContact O-N 2.83Å
567V87.1Confident85.3Confident61 Ų6155.8 Ų55.837%0.3730%0.302SS..Hα-helixtrans-62.7-42.3175.7171.20000111.3I449 I563 T571I449-V567 HydrophobicContact CD1-CG2 3.83Å; I563-V567 HydrophobicContact CG2-CG2 4.2Å; I563-V567 WeakPolarHBondContact O-CB 3.31Å; I563-V567 VanDerWaalsContact O-CG2 3.3Å; I563-V567 WeakPolarHBondContact O-CG2 3.2Å; I563-V567 PolarHBondContact O-N 3.34Å; V567-T571 VanDerWaalsContact O-CB 3.24Å; V567-T571 WeakPolarHBondContact O-CB 3.4Å; V567-T571 PolarHBondContact O-N 3.09Å; V567-T571 PolarHBondContact O-OG1 3.38Å
568S87.7Confident86.1Confident14 Ų1455.1 Ų55.110%0.09830%0.298CS..Hα-helixtrans-59.8-55.2175.2-177.70000111.6V564 N565 E570 T571 V572 V591V564-S568 WeakPolarHBondContact O-CB 3.29Å; V564-S568 PolarHBondContact O-N 3.16Å; N565-S568 PolarHBondContact O-N 3.3Å; S568-E570 VanDerWaalsContact C-N 3.33Å; S568-E570 PolarHBondContact O-N 3.38Å; S568-T571 PolarHBondContact O-N 3.29Å; S568-V572 WeakPolarHBondContact O-CB 3.37Å; S568-V572 VanDerWaalsContact O-CG2 3.28Å; S568-V572 WeakPolarHBondContact O-CG2 3.29Å; S568-V572 PolarHBondContact O-N 2.89Å; S568-V591 VanDerWaalsContact OG-CG1 3.28Å; S568-V591 WeakPolarHBondContact OG-CG1 3.45Å
569A90.1Very high86.4Confident55 Ų5556.5 Ų56.546%0.45530%0.296SS..Hα-helixtrans-57.1-45.1-179.800000112N565 N566 V572 Q573N565-A569 WeakPolarHBondContact O-CB 3.46Å; N565-A569 PolarHBondContact O-N 3.1Å; N566-A569 PolarHBondContact O-N 3.09Å; A569-V572 PolarHBondContact O-N 3.11Å; A569-Q573 VanDerWaalsContact O-CB 3.27Å; A569-Q573 WeakPolarHBondContact O-CB 3.47Å; A569-Q573 PolarHBondContact O-N 3.14Å
570E89Confident86.8Confident11 Ų1157 Ų575%0.05130%0.302CS..Hα-helixtrans-70.5-33.1179.9-77.4-63.3167.100113.5I449 Q450 A453 R457 N566 S568 T574I449-E570 HydrophobicContact CG2-CB 4.37Å; I449-E570 HydrophobicContact CG2-CG 4.3Å; Q450-E570 WeakPolarHBondContact CA-OE1 3.44Å; Q450-E570 HydrophobicContact CB-CG 4.42Å; Q450-E570 WeakPolarHBondContact CB-OE1 3.47Å; Q450-E570 WeakPolarHBondContact CG-OE1 3.34Å; A453-E570 HydrophobicContact CB-CB 4.05Å; A453-E570 HydrophobicContact CB-CG 4.09Å; A453-E570 WeakPolarHBondContact CB-OE2 3.22Å; R457-E570 IonicContact CZ-OE2 2.68Å; R457-E570 IonicContact NE-OE2 3.15Å; R457-E570 VanDerWaalsContact NH2-CD 3.3Å; R457-E570 IonicContact NH2-OE1 3.07Å; R457-E570 PolarHBondContact NH2-OE1 2.88Å; R457-E570 VanDerWaalsContact NH2-OE1 3.14Å; R457-E570 IonicContact NH2-OE2 3.67Å; R457-E570 PolarHBondContact NH2-OE2 3.45Å; N566-E570 WeakPolarHBondContact O-CB 3.26Å; N566-E570 WeakPolarHBondContact O-CG 3.28Å; N566-E570 PolarHBondContact O-N 2.83Å; S568-E570 VanDerWaalsContact C-N 3.33Å; S568-E570 PolarHBondContact O-N 3.38Å; E570-T574 WeakPolarHBondContact O-CB 3.42Å; E570-T574 PolarHBondContact O-N 3.43Å; E570-T574 PolarHBondContact O-OG1 3.08Å
571T89.6Confident87.2Confident59 Ų5961 Ų6136%0.36231%0.308SS..Hα-helixtrans-68.6-46.1174.5-57.40000110.2V567 S568 T574 V575 T587V567-T571 VanDerWaalsContact O-CB 3.24Å; V567-T571 WeakPolarHBondContact O-CB 3.4Å; V567-T571 PolarHBondContact O-N 3.09Å; V567-T571 PolarHBondContact O-OG1 3.38Å; S568-T571 PolarHBondContact O-N 3.29Å; T571-T574 PolarHBondContact O-N 3.15Å; T571-V575 WeakPolarHBondContact O-CG2 3.45Å; T571-V575 PolarHBondContact O-N 3.12Å; T571-T587 HydrophobicContact CG2-CG2 3.95Å
572V90.8Very high87.4Confident18 Ų1860.1 Ų60.111%0.10931%0.308CS..Hα-helixtrans-59.1-48.5174170.10000110.9S568 A569 T574 V575 R576 T587 H588S568-V572 WeakPolarHBondContact O-CB 3.37Å; S568-V572 VanDerWaalsContact O-CG2 3.28Å; S568-V572 WeakPolarHBondContact O-CG2 3.29Å; S568-V572 PolarHBondContact O-N 2.89Å; A569-V572 PolarHBondContact O-N 3.11Å; V572-T574 PolarHBondContact O-N 2.9Å; V572-V575 PolarHBondContact O-N 3.37Å; V572-R576 WeakPolarHBondContact O-CB 3.5Å; V572-R576 PolarHBondContact O-N 2.94Å; V572-T587 HydrophobicContact CG2-CG2 4.03Å; V572-H588 HydrophobicContact CG1-CB 4.05Å; V572-H588 VanDerWaalsContact CG2-CA 3.46Å; V572-H588 HydrophobicContact CG2-CB 3.63Å
573Q90.2Very high87.7Confident94 Ų9459.2 Ų59.244%0.43930%0.303SS..Hα-helixtrans-65.4-37.5180-173.1169.7-1.300112.2A569 Y577A569-Q573 VanDerWaalsContact O-CB 3.27Å; A569-Q573 WeakPolarHBondContact O-CB 3.47Å; A569-Q573 PolarHBondContact O-N 3.14Å; Q573-Y577 WeakPolarHBondContact O-CB 3.44Å; Q573-Y577 PolarHBondContact O-N 3.27Å
574T88.9Confident88Confident23 Ų2356.1 Ų56.114%0.14129%0.287CS..Hα-helixtrans-71.1-41.4178.1-580000112.1R457 I460 E570 T571 V572 Y577 K578R457-T574 HydrophobicContact CG-CG2 4.18Å; I460-T574 HydrophobicContact CD1-CG2 4.17Å; E570-T574 WeakPolarHBondContact O-CB 3.42Å; E570-T574 PolarHBondContact O-N 3.43Å; E570-T574 PolarHBondContact O-OG1 3.08Å; T571-T574 PolarHBondContact O-N 3.15Å; V572-T574 PolarHBondContact O-N 2.9Å; T574-Y577 PolarHBondContact O-N 3.07Å; T574-K578 PolarHBondContact O-N 2.86Å
575V89.4Confident88.2Confident32 Ų3255.4 Ų55.419%0.19428%0.28CS..Hα-helixtrans-65.2-44172172.40000110.9T571 V572 Y577 K578 Y579 A583 T587T571-V575 WeakPolarHBondContact O-CG2 3.45Å; T571-V575 PolarHBondContact O-N 3.12Å; V572-V575 PolarHBondContact O-N 3.37Å; V575-Y577 VanDerWaalsContact C-N 3.29Å; V575-Y577 PolarHBondContact O-N 2.92Å; V575-K578 PolarHBondContact O-N 3.26Å; V575-Y579 HydrophobicContact CG1-CD2 4.22Å; V575-Y579 PolarHBondContact O-N 2.94Å; V575-A583 HydrophobicContact CG1-CB 3.74Å; V575-T587 HydrophobicContact CB-CG2 4.39Å; V575-T587 HydrophobicContact CG2-CG2 4.11Å
576R89.6Confident88.2Confident108 Ų10850.9 Ų50.941%0.40826%0.257SS..Hα-helixtrans-62.2-35.1178.1-175.8157.4162.4164-12.3112.8V572 G580 Y581 E585V572-R576 WeakPolarHBondContact O-CB 3.5Å; V572-R576 PolarHBondContact O-N 2.94Å; R576-G580 CarbonylContact O-C 3.57Å; R576-G580 WeakPolarHBondContact O-CA 3.16Å; R576-G580 PolarHBondContact O-N 3.28Å; R576-G580 VanDerWaalsContact O-N 3.13Å; R576-Y581 VanDerWaalsContact CZ-CD2 3.5Å; R576-Y581 VanDerWaalsContact NH1-CE2 3.3Å; R576-E585 IonicContact NH1-OE1 2.71Å; R576-E585 PolarHBondContact NH1-OE1 3.31Å
577Y87.4Confident88.3Confident101 Ų10150 Ų5040%0.39625%0.253SS..Hα-helixtrans-70.2-48.2174.2175.7-99.1000112R457 I460 Q573 T574 V575R457-Y577 HydrophobicContact CB-CD1 3.97Å; R457-Y577 HydrophobicContact CB-CE1 4.04Å; R457-Y577 HydrophobicContact CB-CG 4.4Å; R457-Y577 HydrophobicContact CG-CD1 3.92Å; R457-Y577 HydrophobicContact CG-CE1 4.49Å; R457-Y577 HydrophobicContact CG-CG 4.18Å; R457-Y577 WeakPolarHBondContact O-CE1 3.26Å; R457-Y577 PolarHBondContact O-OH 3.48Å; I460-Y577 HydrophobicContact CB-CE1 4.32Å; I460-Y577 HydrophobicContact CG2-CD1 4.4Å; I460-Y577 HydrophobicContact CG2-CE1 4.25Å; I460-Y577 WeakPolarHBondContact O-CE1 3.47Å; Q573-Y577 WeakPolarHBondContact O-CB 3.44Å; Q573-Y577 PolarHBondContact O-N 3.27Å; T574-Y577 PolarHBondContact O-N 3.07Å; V575-Y577 VanDerWaalsContact C-N 3.29Å; V575-Y577 PolarHBondContact O-N 2.92Å
578K87.3Confident88.3Confident64 Ų6449.6 Ų49.628%0.27825%0.247SC..Hα-helixtrans-75.2-44.5-176.3-171.2177.2176.9-1670113.7I460 E463 T574 V575I460-K578 HydrophobicContact CG2-CB 3.86Å; I460-K578 HydrophobicContact CG2-CD 3.66Å; I460-K578 HydrophobicContact CG2-CG 3.6Å; E463-K578 WeakPolarHBondContact CB-O 3.15Å; E463-K578 PolarHBondContact N-O 2.96Å; T574-K578 PolarHBondContact O-N 2.86Å; V575-K578 PolarHBondContact O-N 3.26Å
579Y86.8Confident88.2Confident83 Ų8350.1 Ų50.133%0.32525%0.248SC..Hα-helixtrans-115-0.3-167.5-62.3-63.9000113.7V467 V575V467-Y579 HydrophobicContact CG2-CD1 3.6Å; V467-Y579 HydrophobicContact CG2-CE1 4.49Å; V467-Y579 HydrophobicContact CG2-CG 4.2Å; V467-Y579 PolarHBondContact N-O 2.64Å; V575-Y579 HydrophobicContact CG1-CD2 4.22Å; V575-Y579 PolarHBondContact O-N 2.94Å
580G86.7Confident87.9Confident16 Ų1649.4 Ų49.417%0.16524%0.242CC..  trans87.6176.5176.300000115.4R576 N582 A583 G584R576-G580 CarbonylContact O-C 3.57Å; R576-G580 WeakPolarHBondContact O-CA 3.16Å; R576-G580 PolarHBondContact O-N 3.28Å; R576-G580 VanDerWaalsContact O-N 3.13Å; G580-N582 PolarHBondContact O-N 3.21Å; G580-A583 PolarHBondContact O-N 2.98Å; G580-G584 PolarHBondContact O-N 2.91Å; G580-G584 VanDerWaalsContact O-N 3.12Å
581Y88.5Confident87.7Confident132 Ų13250.8 Ų50.852%0.51825%0.251SS..Hα-helixtrans-52.2-50.6-169.7-169.9-83.8000113.8R576 A583 G584 E585R576-Y581 VanDerWaalsContact CZ-CD2 3.5Å; R576-Y581 VanDerWaalsContact NH1-CE2 3.3Å; Y581-A583 VanDerWaalsContact C-N 3.34Å; Y581-A583 PolarHBondContact O-N 3.27Å; Y581-G584 WeakPolarHBondContact O-CA 3.22Å; Y581-G584 PolarHBondContact O-N 3.4Å; Y581-G584 VanDerWaalsContact O-N 3.08Å; Y581-E585 HydrophobicContact CD1-CG 3.8Å; Y581-E585 HydrophobicContact CE1-CG 3.32Å; Y581-E585 PolarHBondContact O-N 3.48Å
582N86.9Confident87.1Confident86 Ų8649.6 Ų49.646%0.4624%0.243SC..Hα-helixtrans-64.3-36.7-174.2-63.4-22.7000112.8G580 A586G580-N582 PolarHBondContact O-N 3.21Å; N582-A586 WeakPolarHBondContact O-CB 3.47Å; N582-A586 PolarHBondContact O-N 2.95Å; N582-A586 VanDerWaalsContact O-N 3.12Å
583A87.1Confident86.2Confident10 Ų1049.3 Ų49.38%0.08324%0.242CC..Hα-helixtrans-68.2-40.9173.300000111.2V469 V575 G580 Y581 A586 T587V469-A583 HydrophobicContact CG2-CB 4.29Å; V575-A583 HydrophobicContact CG1-CB 3.74Å; G580-A583 PolarHBondContact O-N 2.98Å; Y581-A583 VanDerWaalsContact C-N 3.34Å; Y581-A583 PolarHBondContact O-N 3.27Å; A583-A586 PolarHBondContact O-N 2.66Å; A583-T587 PolarHBondContact O-N 2.84Å; A583-T587 PolarHBondContact O-OG1 3.36Å
584G88.7Confident85.5Confident0 Ų048 Ų480%025%0.246CC..Hα-helixtrans-57.8-50.5174.300000113.4G580 Y581 A586 T587 H588G580-G584 PolarHBondContact O-N 2.91Å; G580-G584 VanDerWaalsContact O-N 3.12Å; Y581-G584 WeakPolarHBondContact O-CA 3.22Å; Y581-G584 PolarHBondContact O-N 3.4Å; Y581-G584 VanDerWaalsContact O-N 3.08Å; G584-A586 PolarHBondContact O-N 2.88Å; G584-T587 PolarHBondContact O-N 3.24Å; G584-H588 PolarHBondContact O-N 3.47Å
585E87.3Confident84.7Confident43 Ų4349.2 Ų49.220%0.20125%0.254CS..Hα-helixtrans-64.1-39.1178.1-66.2-54122.400112.3R576 Y581 H588 H589R576-E585 IonicContact NH1-OE1 2.71Å; R576-E585 PolarHBondContact NH1-OE1 3.31Å; Y581-E585 HydrophobicContact CD1-CG 3.8Å; Y581-E585 HydrophobicContact CE1-CG 3.32Å; Y581-E585 PolarHBondContact O-N 3.48Å; E585-H588 WeakPolarHBondContact O-CB 3.28Å; E585-H588 PolarHBondContact O-N 3.01Å; E585-H589 PolarHBondContact O-N 3.48Å; E585-H589 PolarHBondContact O-ND1 2.89Å; E585-H589 VanDerWaalsContact O-ND1 3.07Å
586A86Confident83.7Confident9 Ų949.5 Ų49.57%0.07425%0.254CS..Hα-helixtrans-61-47.3173.100000111.3V469 L477 N582 A583 G584 H588 H589 A590V469-A586 HydrophobicContact CG1-CB 4.09Å; V469-A586 HydrophobicContact CG2-CB 4.12Å; L477-A586 HydrophobicContact CD2-CB 4.14Å; L477-A586 WeakPolarHBondContact CD2-O 3.44Å; N582-A586 WeakPolarHBondContact O-CB 3.47Å; N582-A586 PolarHBondContact O-N 2.95Å; N582-A586 VanDerWaalsContact O-N 3.12Å; A583-A586 PolarHBondContact O-N 2.66Å; G584-A586 PolarHBondContact O-N 2.88Å; A586-H588 VanDerWaalsContact C-N 3.32Å; A586-H588 PolarHBondContact O-N 3.3Å; A586-H589 PolarHBondContact O-N 2.87Å; A586-A590 PolarHBondContact O-N 2.84Å
587T88.8Confident82.8Confident31 Ų3148.2 Ų48.219%0.1926%0.258CS..Hα-helixtrans-59.9-40174-720000112.1T571 V572 V575 A583 G584 H589 A590 V591T571-T587 HydrophobicContact CG2-CG2 3.95Å; V572-T587 HydrophobicContact CG2-CG2 4.03Å; V575-T587 HydrophobicContact CB-CG2 4.39Å; V575-T587 HydrophobicContact CG2-CG2 4.11Å; A583-T587 PolarHBondContact O-N 2.84Å; A583-T587 PolarHBondContact O-OG1 3.36Å; G584-T587 PolarHBondContact O-N 3.24Å; T587-H589 PolarHBondContact O-N 3.11Å; T587-A590 PolarHBondContact O-N 3.2Å; T587-V591 HydrophobicContact CG2-CG2 4.18Å; T587-V591 WeakPolarHBondContact O-CG2 3.36Å; T587-V591 PolarHBondContact O-N 3.16Å
588H88.4Confident81.8Confident53 Ų5345.3 Ų45.325%0.24526%0.259CS..Hα-helixtrans-61.5-44.3175.3176.133.8000111.4K481 V572 G584 E585 A586 A590 D592K481-H588 PolarHBondContact NZ-CE1 3.47Å; K481-H588 VanDerWaalsContact NZ-CE1 3.26Å; K481-H588 PolarHBondContact NZ-NE2 3.45Å; V572-H588 HydrophobicContact CG1-CB 4.05Å; V572-H588 VanDerWaalsContact CG2-CA 3.46Å; V572-H588 HydrophobicContact CG2-CB 3.63Å; G584-H588 PolarHBondContact O-N 3.47Å; E585-H588 WeakPolarHBondContact O-CB 3.28Å; E585-H588 PolarHBondContact O-N 3.01Å; A586-H588 VanDerWaalsContact C-N 3.32Å; A586-H588 PolarHBondContact O-N 3.3Å; H588-A590 VanDerWaalsContact C-N 3.35Å; H588-A590 PolarHBondContact O-N 2.71Å; H588-D592 IonicContact CE1-OD1 3.74Å; H588-D592 PolarHBondContact CE1-OD1 3.34Å; H588-D592 IonicContact CE1-OD2 2.68Å; H588-D592 PolarHBondContact CE1-OD2 3.26Å; H588-D592 IonicContact ND1-OD1 3.42Å; H588-D592 PolarHBondContact ND1-OD1 3.33Å; H588-D592 IonicContact ND1-OD2 3.56Å; H588-D592 PolarHBondContact ND1-OD2 2.86Å; H588-D592 IonicContact NE2-OD2 3.14Å; H588-D592 VanDerWaalsContact O-CB 3.28Å; H588-D592 WeakPolarHBondContact O-CB 3.28Å; H588-D592 VanDerWaalsContact O-CG 3.27Å; H588-D592 PolarHBondContact O-N 3.01Å
589H84.3Confident80.7Confident24 Ų2445.2 Ų45.211%0.11126%0.264CS..Hα-helixtrans-66.6-34.9176.6-65.918.4000112.4L477 Y478 K481 E585 A586 T587 S593L477-H589 HydrophobicContact CB-CB 4.2Å; L477-H589 HydrophobicContact CD2-CB 4.22Å; L477-H589 HydrophobicContact CG-CB 3.74Å; Y478-H589 AromaticContact CD2-NE2 3.64Å; K481-H589 HydrophobicContact CD-CB 4.49Å; E585-H589 PolarHBondContact O-N 3.48Å; E585-H589 PolarHBondContact O-ND1 2.89Å; E585-H589 VanDerWaalsContact O-ND1 3.07Å; A586-H589 PolarHBondContact O-N 2.87Å; T587-H589 PolarHBondContact O-N 3.11Å; H589-S593 VanDerWaalsContact O-CB 3.28Å; H589-S593 WeakPolarHBondContact O-CB 3.29Å; H589-S593 PolarHBondContact O-N 3.13Å; H589-S593 VanDerWaalsContact O-N 3.11Å; H589-S593 PolarHBondContact O-OG 3.27Å
590A83.2Confident79.3Confident41 Ų4142.1 Ų42.134%0.33925%0.254SS..Hα-helixtrans-66.8-50.9174.900000112.5L477 A586 T587 H588 S593 A594L477-A590 HydrophobicContact CD1-CB 4.12Å; L477-A590 HydrophobicContact CD2-CB 4.09Å; L477-A590 HydrophobicContact CG-CB 4.39Å; A586-A590 PolarHBondContact O-N 2.84Å; T587-A590 PolarHBondContact O-N 3.2Å; H588-A590 VanDerWaalsContact C-N 3.35Å; H588-A590 PolarHBondContact O-N 2.71Å; A590-S593 PolarHBondContact O-N 2.96Å; A590-A594 PolarHBondContact O-N 3.43Å
591V85.4Confident78Confident39 Ų3943.6 Ų43.624%0.23626%0.264CS..Hα-helixtrans-66.5-45.5-177178.80000110.3S568 T587 S593 A594 V595S568-V591 VanDerWaalsContact OG-CG1 3.28Å; S568-V591 WeakPolarHBondContact OG-CG1 3.45Å; T587-V591 HydrophobicContact CG2-CG2 4.18Å; T587-V591 WeakPolarHBondContact O-CG2 3.36Å; T587-V591 PolarHBondContact O-N 3.16Å; V591-S593 VanDerWaalsContact C-N 3.29Å; V591-S593 PolarHBondContact O-N 3.26Å; V591-A594 PolarHBondContact O-N 3.45Å; V591-A594 VanDerWaalsContact O-N 3.13Å; V591-V595 HydrophobicContact CG1-CG2 4.27Å; V591-V595 WeakPolarHBondContact O-CG2 3.34Å; V591-V595 PolarHBondContact O-N 3.33Å
592D76.4Confident76.9Confident35 Ų3541.5 Ų41.519%0.18726%0.256CS..Hα-helixtrans-58.1-40.9173.9-7626.6000112K481 H588 V595 N596K481-D592 HydrophobicContact CD-CB 3.96Å; K481-D592 WeakPolarHBondContact CE-OD2 3.45Å; K481-D592 HydrophobicContact CG-CB 4.27Å; K481-D592 IonicContact NZ-OD2 3.54Å; K481-D592 PolarHBondContact NZ-OD2 2.99Å; H588-D592 IonicContact CE1-OD1 3.74Å; H588-D592 PolarHBondContact CE1-OD1 3.34Å; H588-D592 IonicContact CE1-OD2 2.68Å; H588-D592 PolarHBondContact CE1-OD2 3.26Å; H588-D592 IonicContact ND1-OD1 3.42Å; H588-D592 PolarHBondContact ND1-OD1 3.33Å; H588-D592 IonicContact ND1-OD2 3.56Å; H588-D592 PolarHBondContact ND1-OD2 2.86Å; H588-D592 IonicContact NE2-OD2 3.14Å; H588-D592 VanDerWaalsContact O-CB 3.28Å; H588-D592 WeakPolarHBondContact O-CB 3.28Å; H588-D592 VanDerWaalsContact O-CG 3.27Å; H588-D592 PolarHBondContact O-N 3.01Å; D592-V595 PolarHBondContact O-N 3.32Å; D592-N596 VanDerWaalsContact O-CB 3.29Å; D592-N596 WeakPolarHBondContact O-CB 3.41Å; D592-N596 PolarHBondContact O-N 2.94Å; D592-N596 PolarHBondContact O-ND2 2.66Å; D592-N596 VanDerWaalsContact O-ND2 3.16Å
593S72.4Confident75.7Confident12 Ų1238.3 Ų38.38%0.08424%0.239CC..Hα-helixtrans-63.5-42.6176.1-61.40000111.8K481 H589 A590 V591 N596 V597K481-S593 WeakPolarHBondContact CA-OG 3.44Å; K481-S593 PolarHBondContact N-OG 3.22Å; K481-S593 VanDerWaalsContact N-OG 3.1Å; H589-S593 VanDerWaalsContact O-CB 3.28Å; H589-S593 WeakPolarHBondContact O-CB 3.29Å; H589-S593 PolarHBondContact O-N 3.13Å; H589-S593 VanDerWaalsContact O-N 3.11Å; H589-S593 PolarHBondContact O-OG 3.27Å; A590-S593 PolarHBondContact O-N 2.96Å; V591-S593 VanDerWaalsContact C-N 3.29Å; V591-S593 PolarHBondContact O-N 3.26Å; S593-N596 PolarHBondContact O-N 2.92Å; S593-V597 WeakPolarHBondContact O-CB 3.42Å; S593-V597 VanDerWaalsContact O-CG2 3.28Å; S593-V597 WeakPolarHBondContact O-CG2 3.28Å; S593-V597 PolarHBondContact O-N 3.45Å
594A75.2Confident74.3Confident65 Ų6542.5 Ų42.554%0.53726%0.259SS..Hα-helixtrans-65.7-42.3177.700000112.1A590 V591 V597 G598A590-A594 PolarHBondContact O-N 3.43Å; V591-A594 PolarHBondContact O-N 3.45Å; V591-A594 VanDerWaalsContact O-N 3.13Å; A594-V597 PolarHBondContact O-N 2.86Å; A594-G598 PolarHBondContact O-N 3.3Å
595V72Confident72.6Confident50 Ų5045.8 Ų45.830%0.30328%0.276SS..Hα-helixtrans-63.3-46.8174.9172.50000110.8V564 V591 D592 V597 G598 V599V564-V595 HydrophobicContact CG1-CB 4.44Å; V564-V595 HydrophobicContact CG1-CG1 4.03Å; V564-V595 HydrophobicContact CG1-CG2 3.47Å; V564-V595 VanDerWaalsContact CG1-CG2 3.47Å; V591-V595 HydrophobicContact CG1-CG2 4.27Å; V591-V595 WeakPolarHBondContact O-CG2 3.34Å; V591-V595 PolarHBondContact O-N 3.33Å; D592-V595 PolarHBondContact O-N 3.32Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 3.11Å; V595-G598 PolarHBondContact O-N 3.46Å; V595-V599 HydrophobicContact CG1-CG2 4.42Å; V595-V599 WeakPolarHBondContact O-CG2 3.4Å; V595-V599 PolarHBondContact O-N 3.42Å
596N69.3Low71.1Confident37 Ų3745.2 Ų45.220%0.19828%0.275CS..Hα-helixtrans-60.5-40.7176.3-73.3-27.2000112.2T484 G485 A488 D592 S593 T600T484-N596 WeakPolarHBondContact OG1-CB 3.47Å; T484-N596 PolarHBondContact OG1-ND2 2.89Å; G485-N596 WeakPolarHBondContact CA-ND2 3.29Å; G485-N596 PolarHBondContact N-ND2 3.31Å; A488-N596 HydrophobicContact CB-CB 4.4Å; D592-N596 VanDerWaalsContact O-CB 3.29Å; D592-N596 WeakPolarHBondContact O-CB 3.41Å; D592-N596 PolarHBondContact O-N 2.94Å; D592-N596 PolarHBondContact O-ND2 2.66Å; D592-N596 VanDerWaalsContact O-ND2 3.16Å; S593-N596 PolarHBondContact O-N 2.92Å; N596-T600 VanDerWaalsContact O-CB 3.27Å; N596-T600 WeakPolarHBondContact O-CB 3.32Å; N596-T600 PolarHBondContact O-N 3.38Å; N596-T600 PolarHBondContact O-OG1 2.94Å
597V70.7Confident69.4Low81 Ų8146.7 Ų46.749%0.49128%0.281SS..Hα-helixtrans-63.8-44.6174.4167.90000111T484 S593 A594 V595 T600 A601T484-V597 HydrophobicContact CG2-CG2 3.56Å; S593-V597 WeakPolarHBondContact O-CB 3.42Å; S593-V597 VanDerWaalsContact O-CG2 3.28Å; S593-V597 WeakPolarHBondContact O-CG2 3.28Å; S593-V597 PolarHBondContact O-N 3.45Å; A594-V597 PolarHBondContact O-N 2.86Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 3.11Å; V597-T600 PolarHBondContact O-N 2.89Å; V597-A601 WeakPolarHBondContact O-CB 3.28Å; V597-A601 PolarHBondContact O-N 3.03Å
598G65.5Low66.9Low40 Ų4047.1 Ų47.141%0.41229%0.292SS..Hα-helixtrans-59.2-49.6176.200000112.6A594 V595 T600 A601 Y602A594-G598 PolarHBondContact O-N 3.3Å; V595-G598 PolarHBondContact O-N 3.46Å; G598-T600 PolarHBondContact O-N 3.4Å; G598-A601 PolarHBondContact O-N 3.43Å; G598-Y602 VanDerWaalsContact O-CB 3.26Å; G598-Y602 WeakPolarHBondContact O-CB 3.49Å; G598-Y602 PolarHBondContact O-N 2.95Å
599V64.3Low64.6Low62 Ų6247.9 Ų47.938%0.37630%0.297SS..Hα-helixtrans-61.5-41.9175.7171.80000111.5V595 Y602 N603V595-V599 HydrophobicContact CG1-CG2 4.42Å; V595-V599 WeakPolarHBondContact O-CG2 3.4Å; V595-V599 PolarHBondContact O-N 3.42Å; V599-Y602 PolarHBondContact O-N 2.74Å; V599-N603 WeakPolarHBondContact O-CB 3.2Å; V599-N603 PolarHBondContact O-N 2.72Å; V599-N603 PolarHBondContact O-ND2 2.93Å
600T59.1Low62.5Low19 Ų1951.2 Ų51.212%0.11731%0.311CS..Hα-helixtrans-62.9-47.6177.7-57.80000111.4A487 A488 N596 V597 G598 N603 I604A487-T600 HydrophobicContact CB-CG2 4.06Å; A488-T600 VanDerWaalsContact CA-OG1 3.28Å; A488-T600 WeakPolarHBondContact CA-OG1 3.49Å; A488-T600 PolarHBondContact N-OG1 3.39Å; N596-T600 VanDerWaalsContact O-CB 3.27Å; N596-T600 WeakPolarHBondContact O-CB 3.32Å; N596-T600 PolarHBondContact O-N 3.38Å; N596-T600 PolarHBondContact O-OG1 2.94Å; V597-T600 PolarHBondContact O-N 2.89Å; G598-T600 PolarHBondContact O-N 3.4Å; T600-N603 PolarHBondContact O-N 2.86Å; T600-I604 HydrophobicContact CG2-CD1 3.83Å; T600-I604 WeakPolarHBondContact O-CB 3.27Å; T600-I604 VanDerWaalsContact O-CG1 3.26Å; T600-I604 WeakPolarHBondContact O-CG1 3.48Å; T600-I604 PolarHBondContact O-N 2.68Å
601A59.3Low60.3Low46 Ų4652 Ų5238%0.3832%0.317SS..Hα-helixtrans-63.8-42.7178.200000111.7V597 G598 I604 N605V597-A601 WeakPolarHBondContact O-CB 3.28Å; V597-A601 PolarHBondContact O-N 3.03Å; G598-A601 PolarHBondContact O-N 3.43Å; A601-I604 PolarHBondContact O-N 3.27Å; A601-N605 WeakPolarHBondContact O-CB 3.44Å; A601-N605 VanDerWaalsContact O-CG 3.29Å; A601-N605 PolarHBondContact O-N 3.28Å
602Y64.4Low57.8Low88 Ų8854.6 Ų54.635%0.34533%0.328SS..Hα-helixtrans-60.2-48.8175.8178.9-99.4000112.2W553 G598 V599 I604 N605 N606W553-Y602 HydrophobicContact CZ2-CE2 4.41Å; W553-Y602 AromaticContact CZ2-CZ 3.75Å; W553-Y602 WeakPolarHBondContact CZ2-OH 3.26Å; G598-Y602 VanDerWaalsContact O-CB 3.26Å; G598-Y602 WeakPolarHBondContact O-CB 3.49Å; G598-Y602 PolarHBondContact O-N 2.95Å; V599-Y602 PolarHBondContact O-N 2.74Å; Y602-I604 PolarHBondContact O-N 2.64Å; Y602-N605 PolarHBondContact O-N 3.34Å; Y602-N606 WeakPolarHBondContact CE1-ND2 3.49Å; Y602-N606 WeakPolarHBondContact O-CB 3.26Å; Y602-N606 PolarHBondContact O-N 3.05Å; Y602-N606 PolarHBondContact OH-ND2 3.43Å; Y602-N606 PolarHBondContact OH-OD1 3Å
603N61.3Low56Low20 Ų2057.2 Ų57.211%0.10735%0.345CS..Hα-helixtrans-59.8-43.8177.3-74.4-14.2000112.2S491 V495 V599 T600 N606 I607S491-N603 WeakPolarHBondContact OG-CB 3.48Å; S491-N603 PolarHBondContact OG-ND2 3.42Å; V495-N603 HydrophobicContact CG2-CB 3.86Å; V599-N603 WeakPolarHBondContact O-CB 3.2Å; V599-N603 PolarHBondContact O-N 2.72Å; V599-N603 PolarHBondContact O-ND2 2.93Å; T600-N603 PolarHBondContact O-N 2.86Å; N603-N606 PolarHBondContact O-N 3.04Å; N603-I607 WeakPolarHBondContact O-CD1 3.45Å; N603-I607 WeakPolarHBondContact O-CG1 3.38Å; N603-I607 PolarHBondContact O-N 3.46Å; N603-I607 VanDerWaalsContact O-N 3.13Å
604I58.1Low54.5Low97 Ų9761.9 Ų61.950%0.49736%0.364SS..Hα-helixtrans-64.2-44.8178.1-70.1169.6000111.3T600 A601 Y602 N606 I607 G608T600-I604 HydrophobicContact CG2-CD1 3.83Å; T600-I604 WeakPolarHBondContact O-CB 3.27Å; T600-I604 VanDerWaalsContact O-CG1 3.26Å; T600-I604 WeakPolarHBondContact O-CG1 3.48Å; T600-I604 PolarHBondContact O-N 2.68Å; A601-I604 PolarHBondContact O-N 3.27Å; Y602-I604 PolarHBondContact O-N 2.64Å; I604-N606 VanDerWaalsContact C-N 3.33Å; I604-N606 PolarHBondContact O-N 3.07Å; I604-I607 WeakPolarHBondContact O-CB 3.29Å; I604-I607 PolarHBondContact O-N 3.28Å; I604-G608 PolarHBondContact O-N 3.49Å
605N53.3Low52.7Low70 Ų7065.4 Ų65.437%0.37437%0.367SS..Hα-helixtrans-63-40.3176.5-71.2-3.7000111.6A601 Y602 I607 G608 I609A601-N605 WeakPolarHBondContact O-CB 3.44Å; A601-N605 VanDerWaalsContact O-CG 3.29Å; A601-N605 PolarHBondContact O-N 3.28Å; Y602-N605 PolarHBondContact O-N 3.34Å; N605-I607 VanDerWaalsContact C-N 3.3Å; N605-I607 PolarHBondContact O-N 3.06Å; N605-G608 WeakPolarHBondContact O-CA 3.39Å; N605-G608 PolarHBondContact O-N 3.43Å; N605-I609 PolarHBondContact O-N 3.01Å
606N55.1Low51Low31 Ų3166.7 Ų66.717%0.16638%0.375CS..Hα-helixtrans-61.9-32.5175.6-95.23.2000113.9Y602 N603 I604 G608 I609 K610Y602-N606 WeakPolarHBondContact CE1-ND2 3.49Å; Y602-N606 WeakPolarHBondContact O-CB 3.26Å; Y602-N606 PolarHBondContact O-N 3.05Å; Y602-N606 PolarHBondContact OH-ND2 3.43Å; Y602-N606 PolarHBondContact OH-OD1 3Å; N603-N606 PolarHBondContact O-N 3.04Å; I604-N606 VanDerWaalsContact C-N 3.33Å; I604-N606 PolarHBondContact O-N 3.07Å; N606-G608 VanDerWaalsContact C-N 3.32Å; N606-I609 PolarHBondContact O-N 3.39Å; N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.41Å
607I50.4Low49.4Very low40 Ų4067.9 Ų67.921%0.20539%0.39CS..Hα-helixtrans-64.9-40.5172.6-68.9152.1000110L494 V495 N603 I604 N605 A611L494-I607 HydrophobicContact CB-CD1 4.24Å; L494-I607 HydrophobicContact CD2-CD1 3.52Å; L494-I607 HydrophobicContact CD2-CG1 4.23Å; L494-I607 HydrophobicContact CD2-CG2 4.33Å; L494-I607 HydrophobicContact CG-CD1 4.49Å; V495-I607 HydrophobicContact CG2-CD1 3.86Å; V495-I607 HydrophobicContact CG2-CG1 3.82Å; N603-I607 WeakPolarHBondContact O-CD1 3.45Å; N603-I607 WeakPolarHBondContact O-CG1 3.38Å; N603-I607 PolarHBondContact O-N 3.46Å; N603-I607 VanDerWaalsContact O-N 3.13Å; I604-I607 WeakPolarHBondContact O-CB 3.29Å; I604-I607 PolarHBondContact O-N 3.28Å; N605-I607 VanDerWaalsContact C-N 3.3Å; N605-I607 PolarHBondContact O-N 3.06Å; I607-A611 VanDerWaalsContact O-CB 3.26Å; I607-A611 WeakPolarHBondContact O-CB 3.21Å; I607-A611 PolarHBondContact O-N 3.31Å
608G37.1Very low48Very low40 Ų4067.5 Ų67.541%0.41239%0.388SS..Hα-helixtrans-61.1-46.6172.200000113I604 N605 N606 A611 M612I604-G608 PolarHBondContact O-N 3.49Å; N605-G608 WeakPolarHBondContact O-CA 3.39Å; N605-G608 PolarHBondContact O-N 3.43Å; N606-G608 VanDerWaalsContact C-N 3.32Å; G608-A611 PolarHBondContact O-N 3Å; G608-M612 WeakPolarHBondContact O-CB 3.45Å; G608-M612 PolarHBondContact O-N 3.12Å
609I39.7Very low46.5Very low69 Ų6971 Ų7135%0.35439%0.393SS..Hα-helixtrans-64.9-45.1178-64169.1000110.9N605 N606 A611 M612 V613N605-I609 PolarHBondContact O-N 3.01Å; N606-I609 PolarHBondContact O-N 3.39Å; I609-A611 VanDerWaalsContact C-N 3.33Å; I609-A611 PolarHBondContact O-N 3.5Å; I609-M612 WeakPolarHBondContact O-CB 3.39Å; I609-M612 PolarHBondContact O-N 2.97Å; I609-V613 HydrophobicContact CG2-CG2 4.3Å; I609-V613 WeakPolarHBondContact O-CB 3.25Å; I609-V613 WeakPolarHBondContact O-CG2 3.37Å; I609-V613 PolarHBondContact O-N 3.37Å
610K39.3Very low45.3Very low94 Ų9471.2 Ų71.241%0.40940%0.395SS..Hα-helixtrans-64.8-34.7175.7-76.8-178.5175.5174.80112.4V498 C499 N606 K614V498-K610 HydrophobicContact CG1-CB 4.46Å; C499-K610 PolarHBondContact SG-NZ 2.88Å; N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.41Å; K610-K614 VanDerWaalsContact O-CB 3.26Å; K610-K614 WeakPolarHBondContact O-CB 3.43Å; K610-K614 PolarHBondContact O-N 2.86Å
611A37.2Very low44.3Very low57 Ų5772 Ų7247%0.47141%0.407SS..Hα-helixtrans-66.7-41.4172.200000112.1I607 G608 I609 K614 K615I607-A611 VanDerWaalsContact O-CB 3.26Å; I607-A611 WeakPolarHBondContact O-CB 3.21Å; I607-A611 PolarHBondContact O-N 3.31Å; G608-A611 PolarHBondContact O-N 3Å; I609-A611 VanDerWaalsContact C-N 3.33Å; I609-A611 PolarHBondContact O-N 3.5Å; A611-K614 PolarHBondContact O-N 3.36Å; A611-K615 WeakPolarHBondContact O-CB 3.26Å; A611-K615 PolarHBondContact O-N 3.27Å
612M32.7Very low43.3Very low94 Ų9475.1 Ų75.146%0.46341%0.414SS..Hα-helixtrans-63-51.7174.6-170-165.8-56.400111.1G608 I609 K614 K615 T616G608-M612 WeakPolarHBondContact O-CB 3.45Å; G608-M612 PolarHBondContact O-N 3.12Å; I609-M612 WeakPolarHBondContact O-CB 3.39Å; I609-M612 PolarHBondContact O-N 2.97Å; M612-K614 VanDerWaalsContact C-N 3.32Å; M612-K614 PolarHBondContact O-N 3.42Å; M612-K615 PolarHBondContact O-N 2.89Å; M612-T616 PolarHBondContact O-N 2.92Å; M612-T616 PolarHBondContact O-OG1 3.39Å
613V40Very low41.7Very low90 Ų9073.9 Ų73.955%0.54542%0.416SS..Hα-helixtrans-59.5-41.7177.3170.80000111.1I609 A617I609-V613 HydrophobicContact CG2-CG2 4.3Å; I609-V613 WeakPolarHBondContact O-CB 3.25Å; I609-V613 WeakPolarHBondContact O-CG2 3.37Å; I609-V613 PolarHBondContact O-N 3.37Å; V613-A617 WeakPolarHBondContact O-CB 3.41Å; V613-A617 PolarHBondContact O-N 3.46Å
614K41.3Very low40.4Very low109 Ų10978.3 Ų78.347%0.47444%0.439SS..Hα-helixtrans-62.5-43.5173.5-175.1173.8-178.91770111.5K610 A611 M612 T618K610-K614 VanDerWaalsContact O-CB 3.26Å; K610-K614 WeakPolarHBondContact O-CB 3.43Å; K610-K614 PolarHBondContact O-N 2.86Å; A611-K614 PolarHBondContact O-N 3.36Å; M612-K614 VanDerWaalsContact C-N 3.32Å; M612-K614 PolarHBondContact O-N 3.42Å; K614-T618 WeakPolarHBondContact O-CB 3.09Å; K614-T618 PolarHBondContact O-N 3.39Å; K614-T618 PolarHBondContact O-OG1 3.13Å
615K37.5Very low39.4Very low139 Ų13978 Ų7860%0.60444%0.438SS*.Hα-helixtrans-64.1-47.6179.3-157.8-178-178.3-177.50111.2A611 M612 T618 Q619A611-K615 WeakPolarHBondContact O-CB 3.26Å; A611-K615 PolarHBondContact O-N 3.27Å; M612-K615 PolarHBondContact O-N 2.89Å; K615-T618 PolarHBondContact O-N 2.97Å; K615-Q619 WeakPolarHBondContact O-CB 3.23Å; K615-Q619 VanDerWaalsContact O-CG 3.27Å; K615-Q619 WeakPolarHBondContact O-CG 3.2Å; K615-Q619 PolarHBondContact O-N 2.79Å
616T35.2Very low38.7Very low77 Ų7780.6 Ų80.647%0.47245%0.447SS..Hα-helixtrans-63.5-47.4175.3-57.30000111.7M612 T618 Q619 T620M612-T616 PolarHBondContact O-N 2.92Å; M612-T616 PolarHBondContact O-OG1 3.39Å; T616-T618 PolarHBondContact O-N 2.83Å; T616-Q619 PolarHBondContact O-N 2.95Å; T616-T620 VanDerWaalsContact O-CB 3.3Å; T616-T620 WeakPolarHBondContact O-CB 3.34Å; T616-T620 PolarHBondContact O-N 3.1Å; T616-T620 PolarHBondContact O-OG1 2.69Å; T616-T620 VanDerWaalsContact O-OG1 3.13Å
617A36.4Very low38Very low62 Ų6285.5 Ų85.551%0.51247%0.473SS..Hα-helixtrans-64.8-36.5179.200000112.7V613 G621V613-A617 WeakPolarHBondContact O-CB 3.41Å; V613-A617 PolarHBondContact O-N 3.46Å; A617-G621 WeakPolarHBondContact O-CA 3.47Å; A617-G621 PolarHBondContact O-N 2.87Å
618T40.6Very low37.2Very low73 Ų7392.8 Ų92.845%0.44850%0.5SS..Hα-helixtrans-70-41.3172.1-55.90000111.6K614 K615 T616 H622K614-T618 WeakPolarHBondContact O-CB 3.09Å; K614-T618 PolarHBondContact O-N 3.39Å; K614-T618 PolarHBondContact O-OG1 3.13Å; K615-T618 PolarHBondContact O-N 2.97Å; T616-T618 PolarHBondContact O-N 2.83Å; T618-H622 WeakPolarHBondContact O-CB 3.4Å; T618-H622 PolarHBondContact O-CD2 3.44Å; T618-H622 VanDerWaalsContact O-CD2 3.3Å; T618-H622 PolarHBondContact O-N 3.47Å
619Q34.4Very low36.9Very low113 Ų11397.8 Ų97.853%0.52851%0.512SS..Hα-helixtrans-69-51.7178.6-72.6-175.6-8700112K615 T616 G621 H622 T623K615-Q619 WeakPolarHBondContact O-CB 3.23Å; K615-Q619 VanDerWaalsContact O-CG 3.27Å; K615-Q619 WeakPolarHBondContact O-CG 3.2Å; K615-Q619 PolarHBondContact O-N 2.79Å; T616-Q619 PolarHBondContact O-N 2.95Å; Q619-G621 VanDerWaalsContact C-N 3.29Å; Q619-G621 PolarHBondContact O-N 3.48Å; Q619-H622 CarbonylContact O-C 3.59Å; Q619-H622 WeakPolarHBondContact O-CA 3.4Å; Q619-H622 WeakPolarHBondContact O-CB 3.31Å; Q619-H622 PolarHBondContact O-N 2.92Å; Q619-T623 PolarHBondContact O-N 2.98Å; Q619-T623 PolarHBondContact O-OG1 3.48Å
620T38.6Very low36.4Very low67 Ų67102.2 Ų102.241%0.41154%0.535SS..Hα-helixtrans-63.3-34.5176-570000112.2T616 H622 T623 L624T616-T620 VanDerWaalsContact O-CB 3.3Å; T616-T620 WeakPolarHBondContact O-CB 3.34Å; T616-T620 PolarHBondContact O-N 3.1Å; T616-T620 PolarHBondContact O-OG1 2.69Å; T616-T620 VanDerWaalsContact O-OG1 3.13Å; T620-H622 VanDerWaalsContact C-N 3.3Å; T620-T623 WeakPolarHBondContact CA-OG1 3.29Å; T620-T623 PolarHBondContact O-OG1 3.3Å; T620-L624 HydrophobicContact CG2-CD1 4.02Å; T620-L624 HydrophobicContact CG2-CG 4.49Å; T620-L624 WeakPolarHBondContact O-CB 3.25Å; T620-L624 WeakPolarHBondContact O-CG 3.48Å; T620-L624 PolarHBondContact O-N 3.43Å
621G38.6Very low36Very low36 Ų36104.4 Ų104.437%0.37156%0.556SS.*Hα-helixtrans-69.5-24.3172.400000114A617 Q619A617-G621 WeakPolarHBondContact O-CA 3.47Å; A617-G621 PolarHBondContact O-N 2.87Å; Q619-G621 VanDerWaalsContact C-N 3.29Å; Q619-G621 PolarHBondContact O-N 3.48Å
622H37.2Very low35.6Very low111 Ų111108.4 Ų108.451%0.51457%0.569SS.*Hα-helixtrans-81.9-44.7169.6-95.4-96.9000112T618 Q619 T620 L624 L625 E626T618-H622 WeakPolarHBondContact O-CB 3.4Å; T618-H622 PolarHBondContact O-CD2 3.44Å; T618-H622 VanDerWaalsContact O-CD2 3.3Å; T618-H622 PolarHBondContact O-N 3.47Å; Q619-H622 CarbonylContact O-C 3.59Å; Q619-H622 WeakPolarHBondContact O-CA 3.4Å; Q619-H622 WeakPolarHBondContact O-CB 3.31Å; Q619-H622 PolarHBondContact O-N 2.92Å; T620-H622 VanDerWaalsContact C-N 3.3Å; H622-L624 PolarHBondContact O-N 3.42Å; H622-L625 CarbonylContact O-C 3.59Å; H622-L625 WeakPolarHBondContact O-CA 3.45Å; H622-L625 VanDerWaalsContact O-CB 3.28Å; H622-L625 WeakPolarHBondContact O-CB 3.29Å; H622-L625 PolarHBondContact O-N 3.14Å; H622-E626 WeakPolarHBondContact O-CG 3.13Å; H622-E626 PolarHBondContact O-N 3.17Å
623T32.1Very low35.7Very low63 Ų63111.2 Ų111.239%0.38759%0.586SS.*Hα-helixtrans-65.7-39-179.659.50000111.9Q619 T620 L625 E626 D627Q619-T623 PolarHBondContact O-N 2.98Å; Q619-T623 PolarHBondContact O-OG1 3.48Å; T620-T623 WeakPolarHBondContact CA-OG1 3.29Å; T620-T623 PolarHBondContact O-OG1 3.3Å; T623-L625 PolarHBondContact O-N 2.87Å; T623-L625 VanDerWaalsContact O-N 3.12Å; T623-E626 PolarHBondContact O-N 2.93Å; T623-E626 VanDerWaalsContact O-N 3.1Å; T623-D627 WeakPolarHBondContact O-CB 3.48Å; T623-D627 PolarHBondContact O-N 2.87Å
624L34.2Very low35.3Very low113 Ų113111.1 Ų111.159%0.59259%0.59SS**Hα-helixtrans-64-13.8170.8-77168.7000114T620 H622T620-L624 HydrophobicContact CG2-CD1 4.02Å; T620-L624 HydrophobicContact CG2-CG 4.49Å; T620-L624 WeakPolarHBondContact O-CB 3.25Å; T620-L624 WeakPolarHBondContact O-CG 3.48Å; T620-L624 PolarHBondContact O-N 3.43Å; H622-L624 PolarHBondContact O-N 3.42Å
625L37.4Very low34.9Very low91 Ų91113.2 Ų113.248%0.47660%0.601SS.*Hα-helixtrans-97-24174.5-113.4162.2000112.7H622 T623H622-L625 CarbonylContact O-C 3.59Å; H622-L625 WeakPolarHBondContact O-CA 3.45Å; H622-L625 VanDerWaalsContact O-CB 3.28Å; H622-L625 WeakPolarHBondContact O-CB 3.29Å; H622-L625 PolarHBondContact O-N 3.14Å; T623-L625 PolarHBondContact O-N 2.87Å; T623-L625 VanDerWaalsContact O-N 3.12Å
626E38.7Very low34.6Very low124 Ų124116 Ų11658%0.57961%0.608SS**Hα-helixtrans-86.5-40.2176.5-71.7172.5168.700111.5H622 T623 Y628 Q629H622-E626 WeakPolarHBondContact O-CG 3.13Å; H622-E626 PolarHBondContact O-N 3.17Å; T623-E626 PolarHBondContact O-N 2.93Å; T623-E626 VanDerWaalsContact O-N 3.1Å; E626-Y628 PolarHBondContact O-N 2.95Å; E626-Y628 VanDerWaalsContact O-N 3.08Å; E626-Q629 PolarHBondContact O-N 3.02Å
627D38.4Very low34.4Very low133 Ų133119.3 Ų119.371%0.71162%0.618SS**THydrogen-bonded Turntrans-62.9-14.8175.1-70.5-31.2000113.2T623T623-D627 WeakPolarHBondContact O-CB 3.48Å; T623-D627 PolarHBondContact O-N 2.87Å
628Y34.5Very low34.2Very low193 Ų193123 Ų12376%0.75763%0.629SS**THydrogen-bonded Turntrans-100.410173.5-91.9-86.5000114.2E626E626-Y628 PolarHBondContact O-N 2.95Å; E626-Y628 VanDerWaalsContact O-N 3.08Å
629Q31.4Very low33.8Very low145 Ų145127.5 Ų127.568%0.67865%0.645SS**SBendtrans-117.368.4173.5-72-167.933.500113E626E626-Q629 PolarHBondContact O-N 3.02Å
630I28.1Very low33.6Very low163 Ų163131 Ų13184%0.83666%0.661SS**  trans-160.5155.9160.3-106144.3000110.2
631V31Very low33.3Very low139 Ų139131.8 Ų131.884%0.84268%0.683SS**  trans71.271.9-175.1-1570000116.5
632D28.9Very low32.8Very low141 Ų141135.3 Ų135.375%0.75471%0.708SS**  -143.4114.1123.3-168.92.3000110.4
633N35.3Very low32.7Very low154 Ų154134.9 Ų134.982%0.82473%0.725SS**  trans-17299.8152.2-108.1-56.6000111.4
634S32.4Very low32.6Very low88 Ų88139.4 Ų139.462%0.61575%0.746SS**  trans34.1114.6139.9-63.80000121.3
635Q31.3Very low32.7Very low152 Ų152140.5 Ų140.571%0.7176%0.757SS**  72.8120.4127.3-63.5-1701000122
636R31.8Very low32.5Very low197 Ų197143.2 Ų143.274%0.74377%0.772SS**  trans85125.5135.5-70.9176.1-169.4-165.33.9121.5
637E31.5Very low32.5Very low147 Ų147142.9 Ų142.969%0.68778%0.779SS**  trans72.497.2134.3-64.2179.5100.400121.1
638N30.9Very low32.3Very low139 Ų139147.6 Ų147.674%0.74379%0.786SS**  80.5146.7120.2-63.7-27.8000122.4
639Q33.2Very low32Very low168 Ų168141.6 Ų141.679%0.78578%0.783SS**  trans74.797.3159.4-74.7174.2-10.200120.4
640E30Very low32.3Very low186 Ų186144.2 Ų144.287%0.86980%0.796SS**  45.1122.3114.8-61.5178.8123.900120.2
641G31.5Very low32.5Very low84 Ų84145.1 Ų145.187%0.86679%0.793SS**  trans171.586.8164.700000114.2
642A29.8Very low32.8Very low110 Ų110146.2 Ų146.291%0.90980%0.795SS**  trans-91.4135.6179.700000112.9
643A33.6Very low33Very low103 Ų103147.4 Ų147.485%0.85180%0.796SS**  trans-151130.1166.500000112.7
644N30.8Very low33.1Very low158 Ų158149.6 Ų149.685%0.84580%0.801SS**  trans-81.2146.8169.5-93.6-51.6000111.5
645V36.7Very low33Very low135 Ų135150.8 Ų150.882%0.81881%0.805SS**  trans-142.8142.1136.6178.70000109.1V647V645-V647 HydrophobicContact CG1-CG2 4.15Å
646N32Very low33.3Very low148 Ų148151.9 Ų151.979%0.79181%0.807SS**  trans-140.5123.7-179.1171.616.8000110.5
647V38.9Very low33.4Very low118 Ų118149.6 Ų149.672%0.71581%0.805SS**  trans-149.9113.6172.1-142.10000105.1V645V645-V647 HydrophobicContact CG1-CG2 4.15Å
648R33.7Very low33.8Very low232 Ų232148.2 Ų148.288%0.87581%0.806SS**  58.3121.264.4-155-178.9-161.7-107.86.9110.9
649G29.3Very low34.2Very low67 Ų67149.8 Ų149.869%0.69181%0.806SS**  cis130.4105.1-2.400000110.5
650E37.7Very low34.5Very low200 Ų200150 Ų15094%0.93581%0.808SS**  trans-151.6151.7-178-123.1161.5-171.600111.4
651K31.4Very low35Very low182 Ų182145 Ų14579%0.79180%0.798SS**  trans-106.6158.5164.1-68.5178.8174.7-1780107.5
652D37.4Very low35.5Very low162 Ų162150.5 Ų150.587%0.86680%0.798SS**  -175.8179.8110.1-95.9-4.9000112.8
653E33.5Very low36.4Very low166 Ų166154.1 Ų154.178%0.77679%0.793SS**  trans-108.5138.4-157.9178.7-173.1142.300112.1
654Q37.2Very low37.1Very low199 Ų199156.7 Ų156.793%0.9379%0.785SS**  trans-154.4140.1156.2-133.2154.194.700114.7
655T31Very low38.3Very low114 Ų114155.3 Ų155.370%0.69978%0.778SS**  trans-109.9157.5-179.6-63.70000110.2
656K36.7Very low38.7Very low175 Ų175162 Ų16276%0.76180%0.796SS**  trans123.1150.6167.6-74164.4160.4-92.50111.7
657E35.5Very low39.1Very low148 Ų148162.7 Ų162.769%0.69280%0.796SS**  cis-160.8171.5-13.8-119.4173.3110.400107.6
658V40Very low39.1Very low119 Ų119165.1 Ų165.172%0.72180%0.8SS**  trans161.1109.2134.7156.60000112.1
659K39Very low39.4Very low172 Ų172161.3 Ų161.375%0.74880%0.796SS**  trans53.6160.5135.9-49-176.6-175.4-177.30120.3
660E39.2Very low40Very low173 Ų173166.9 Ų166.981%0.80880%0.802SS**  cis-144.6166.19.6-151.2152.6-118.800114.7
661A39.3Very low40.1Very low81 Ų81164.8 Ų164.867%0.66979%0.794SS**  trans-71.7160.6-163.700000118
662K42.6Very low40.7Very low198 Ų198163.7 Ų163.786%0.86179%0.794SS**  -170.7143.7108.8-103.9160.7-172.21650117.1
663K48.2Very low40.9Very low186 Ų186163.8 Ų163.881%0.80979%0.789SS**  trans65.4101.4149.6-82.7-167.9169.5-175.70121.9
664K49.5Very low41.5Very low157 Ų157163.6 Ų163.668%0.68379%0.79SS**  83138.199.8-130.2-173.3165.8-70.10120.6
665D56.2Low41.9Very low129 Ų129160.7 Ų160.769%0.6978%0.778SS**  trans64.7125.8165.5-51-41.9000114.6
666K45.3Very low42.9Very low276 Ų276164.9 Ų164.9100%1.279%0.786SS**  cis-139.9026.4-177.5-177-179.5-1760112.3

Retrieved 666 of 666 residues in 487 ms (Link to these results)

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