A0A077ZB97_TRITR Loading...

ABC protein, subfamily ABCD

AlphaFold DB , UniProt , Accession A0A077ZB97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 556 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
1M27.9Very low45.8Very low247 Ų247112.9 Ų112.9100%1.21756%0.563SS**  01030-91.8177.6164.600108.2
2K29.6Very low47.2Very low156 Ų156107.8 Ų107.868%0.67855%0.546SS*.  trans-74.6141.5174-78.6-177.4168.4-174.20109.8R4 E325K2-R4 PolarHBondContact O-N 2.81Å; K2-E325 VanDerWaalsContact CD-OE1 3.29Å; K2-E325 WeakPolarHBondContact CD-OE1 3.42Å; K2-E325 IonicContact NZ-OE1 3.23Å; K2-E325 PolarHBondContact NZ-OE1 2.77Å
3P33.6Very low48.7Very low113 Ų113101 Ų10173%0.73451%0.511SS*.  trans-64.4128-177.426.2-32.2000110V5P3-V5 PolarHBondContact O-N 3.44Å; P3-V5 VanDerWaalsContact O-N 3.12Å
4R38.4Very low50.2Low189 Ų189101.6 Ų101.671%0.71351%0.508SS*.  trans-63110.9169.9-71.7179.9-174.5166.54.3108K2 E6 R188K2-R4 PolarHBondContact O-N 2.81Å; R4-E6 PolarHBondContact O-N 2.87Å; R4-E6 VanDerWaalsContact O-N 3.16Å; R4-R188 VanDerWaalsContact NH1-NH2 3.17Å
5V45.2Very low51.6Low67 Ų67107.3 Ų107.341%0.40652%0.522SS..  trans-79.2100.7166.2179.90000106.9P3 V7 H321P3-V5 PolarHBondContact O-N 3.44Å; P3-V5 VanDerWaalsContact O-N 3.12Å; V5-V7 PolarHBondContact O-N 3.26Å; V5-V7 VanDerWaalsContact O-N 3.12Å; V5-H321 VanDerWaalsContact CB-CD2 3.45Å; V5-H321 WeakPolarHBondContact CB-CD2 3.49Å; V5-H321 WeakPolarHBondContact CB-NE2 3.36Å; V5-H321 WeakPolarHBondContact CG2-NE2 3.3Å
6E46.7Very low52.6Low113 Ų113105.2 Ų105.253%0.52851%0.506SS..  trans-62.9110.4165.4-68.8-169.5176.300107.9R4 S8 K180R4-E6 PolarHBondContact O-N 2.87Å; R4-E6 VanDerWaalsContact O-N 3.16Å; E6-S8 VanDerWaalsContact C-N 3.26Å; E6-S8 PolarHBondContact O-N 2.88Å; E6-K180 IonicContact OE2-NZ 3.48Å; E6-K180 PolarHBondContact OE2-NZ 2.95Å
7V48.7Very low53.8Low47 Ų47100 Ų10029%0.28548%0.481SS..  trans-76.189.2166.4-1720000107.2V5 V313 A317V5-V7 PolarHBondContact O-N 3.26Å; V5-V7 VanDerWaalsContact O-N 3.12Å; V7-V313 HydrophobicContact CG1-CG1 4.34Å; V7-A317 HydrophobicContact CB-CB 3.81Å; V7-A317 HydrophobicContact CG1-CB 3.12Å; V7-A317 HydrophobicContact CG2-CB 3.35Å
8S50.4Low55Low26 Ų26103.5 Ų103.518%0.18249%0.488CS..SBendtrans-116168161.1470000109.2E6 N10E6-S8 VanDerWaalsContact C-N 3.26Å; E6-S8 PolarHBondContact O-N 2.88Å; S8-N10 PolarHBondContact O-N 3.45Å; S8-N10 PolarHBondContact OG-ND2 3.48Å; S8-N10 PolarHBondContact OG-OD1 2.98Å
9F55.2Low55.8Low55 Ų55102.5 Ų102.524%0.24149%0.486CS..SBendtrans-62.469.2166.7-90.1-116.1000110.3F13 F14 L309 N310 V313F9-F13 AromaticContact CD1-CD1 3.94Å; F9-F13 HydrophobicContact CD1-CD1 3.94Å; F9-F13 AromaticContact CD1-CE1 3.99Å; F9-F13 HydrophobicContact CD1-CE1 3.99Å; F9-F13 HydrophobicContact CE1-CD1 4.16Å; F9-F13 AromaticContact CE1-CE1 3.71Å; F9-F13 HydrophobicContact CE1-CE1 3.71Å; F9-F13 HydrophobicContact CE1-CZ 4.48Å; F9-F13 HydrophobicContact CG-CD1 4.26Å; F9-F13 HydrophobicContact CZ-CE1 4.09Å; F9-F13 HydrophobicContact CZ-CZ 4.44Å; F9-F14 HydrophobicContact CD1-CE2 4.29Å; F9-F14 HydrophobicContact CD1-CZ 4.27Å; F9-L309 HydrophobicContact CZ-CB 4.46Å; F9-N310 HydrophobicContact CD2-CB 4.33Å; F9-N310 VanDerWaalsContact CD2-CG 3.42Å; F9-N310 WeakPolarHBondContact CD2-OD1 3.32Å; F9-N310 HydrophobicContact CE2-CB 4.15Å; F9-N310 WeakPolarHBondContact CE2-OD1 3.37Å; F9-V313 HydrophobicContact CE2-CB 4.04Å; F9-V313 HydrophobicContact CE2-CG1 4.34Å; F9-V313 HydrophobicContact CE2-CG2 3.68Å; F9-V313 HydrophobicContact CZ-CG2 3.89Å
10N61.8Low56.6Low69 Ų6999.1 Ų99.137%0.36947%0.471SS..  trans-96.4169.6176-64.8-16.3000108.7S8 S12 F13 F14S8-N10 PolarHBondContact O-N 3.45Å; S8-N10 PolarHBondContact OG-ND2 3.48Å; S8-N10 PolarHBondContact OG-OD1 2.98Å; N10-S12 PolarHBondContact O-N 3.33Å; N10-F13 WeakPolarHBondContact O-CB 3.26Å; N10-F13 PolarHBondContact O-N 2.91Å; N10-F14 PolarHBondContact O-N 2.68Å
11L66.9Low57.5Low160 Ų16096.3 Ų96.384%0.83846%0.458SS*.Hα-helixtrans-51.8-31174.4-127.781.5000112.9F14 R15L11-F14 PolarHBondContact O-N 2.94Å; L11-R15 PolarHBondContact O-N 3.03Å
12S62.4Low59.7Low52 Ų5291.2 Ų91.236%0.36443%0.43SS..Hα-helixtrans-63.1-38.2175.355.40000113.1N10 R15 R16N10-S12 PolarHBondContact O-N 3.33Å; S12-R15 PolarHBondContact O-N 2.81Å; S12-R16 WeakPolarHBondContact O-CB 3.23Å; S12-R16 VanDerWaalsContact O-CG 3.28Å; S12-R16 WeakPolarHBondContact O-CG 3.4Å; S12-R16 PolarHBondContact O-N 2.95Å
13F67Low61.6Low19 Ų1988.2 Ų88.28%0.08342%0.42CS..Hα-helixtrans-62.9-49.2175.7171.8-103000110.6F9 N10 R15 R16 F17 V313F9-F13 AromaticContact CD1-CD1 3.94Å; F9-F13 HydrophobicContact CD1-CD1 3.94Å; F9-F13 AromaticContact CD1-CE1 3.99Å; F9-F13 HydrophobicContact CD1-CE1 3.99Å; F9-F13 HydrophobicContact CE1-CD1 4.16Å; F9-F13 AromaticContact CE1-CE1 3.71Å; F9-F13 HydrophobicContact CE1-CE1 3.71Å; F9-F13 HydrophobicContact CE1-CZ 4.48Å; F9-F13 HydrophobicContact CG-CD1 4.26Å; F9-F13 HydrophobicContact CZ-CE1 4.09Å; F9-F13 HydrophobicContact CZ-CZ 4.44Å; N10-F13 WeakPolarHBondContact O-CB 3.26Å; N10-F13 PolarHBondContact O-N 2.91Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.92Å; F13-R16 PolarHBondContact O-N 2.87Å; F13-F17 HydrophobicContact CZ-CB 4.4Å; F13-F17 HydrophobicContact CZ-CD2 4.17Å; F13-F17 HydrophobicContact CZ-CG 4.48Å; F13-F17 VanDerWaalsContact O-CB 3.29Å; F13-F17 WeakPolarHBondContact O-CB 3.44Å; F13-F17 PolarHBondContact O-N 3.08Å; F13-V313 HydrophobicContact CD2-CG1 3.34Å; F13-V313 HydrophobicContact CD2-CG2 4.43Å; F13-V313 HydrophobicContact CE1-CG2 4.41Å; F13-V313 HydrophobicContact CE2-CB 4.02Å; F13-V313 HydrophobicContact CE2-CG1 3.21Å; F13-V313 HydrophobicContact CE2-CG2 3.53Å; F13-V313 HydrophobicContact CG-CG1 4.2Å; F13-V313 HydrophobicContact CZ-CB 4.43Å; F13-V313 HydrophobicContact CZ-CG1 3.98Å; F13-V313 HydrophobicContact CZ-CG2 3.51Å
14F69.8Low63.2Low109 Ų10983.7 Ų83.748%0.47839%0.389SS..Hα-helixtrans-62.5-39.6178.5-76.9-78.4000112.5F9 N10 L11 F17 W18F9-F14 HydrophobicContact CD1-CE2 4.29Å; F9-F14 HydrophobicContact CD1-CZ 4.27Å; N10-F14 PolarHBondContact O-N 2.68Å; L11-F14 PolarHBondContact O-N 2.94Å; F14-F17 PolarHBondContact O-N 3.44Å; F14-W18 VanDerWaalsContact O-CB 3.26Å; F14-W18 WeakPolarHBondContact O-CB 3.36Å; F14-W18 PolarHBondContact O-N 3.39Å
15R70.4Confident65Low188 Ų18876.9 Ų76.971%0.70937%0.365SS*.Hα-helixtrans-61.2-46174.4-175178.5176.6-176.7-1.2111.7L11 S12 F13 W18 L19L11-R15 PolarHBondContact O-N 3.03Å; S12-R15 PolarHBondContact O-N 2.81Å; F13-R15 VanDerWaalsContact C-N 3.33Å; F13-R15 PolarHBondContact O-N 2.92Å; R15-W18 PolarHBondContact O-N 3.35Å; R15-L19 HydrophobicContact CG-CD1 4.5Å; R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 3.39Å
16R67.5Low66.3Low73 Ų7377.8 Ų77.828%0.27537%0.372SS..Hα-helixtrans-66.5-42.7177.8-71.9176.2179.7-179.20.7111.9S12 F13 W18 L19 L20 D324S12-R16 WeakPolarHBondContact O-CB 3.23Å; S12-R16 VanDerWaalsContact O-CG 3.28Å; S12-R16 WeakPolarHBondContact O-CG 3.4Å; S12-R16 PolarHBondContact O-N 2.95Å; F13-R16 PolarHBondContact O-N 2.87Å; R16-W18 VanDerWaalsContact C-N 3.31Å; R16-W18 PolarHBondContact O-N 3.47Å; R16-L19 PolarHBondContact O-N 2.83Å; R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.22Å; R16-D324 IonicContact CZ-OD2 2.93Å; R16-D324 IonicContact NH2-OD2 3.54Å; R16-D324 PolarHBondContact NH2-OD2 2.76Å
17F72.5Confident67.7Low17 Ų1781.8 Ų81.88%0.07538%0.382CS..Hα-helixtrans-61.7-40175.4-173.2-100.5000111.6F13 F14 L20 L21 F135 F139 V142F13-F17 HydrophobicContact CZ-CB 4.4Å; F13-F17 HydrophobicContact CZ-CD2 4.17Å; F13-F17 HydrophobicContact CZ-CG 4.48Å; F13-F17 VanDerWaalsContact O-CB 3.29Å; F13-F17 WeakPolarHBondContact O-CB 3.44Å; F13-F17 PolarHBondContact O-N 3.08Å; F14-F17 PolarHBondContact O-N 3.44Å; F17-L20 PolarHBondContact O-N 2.76Å; F17-L21 HydrophobicContact CD1-CD1 3.8Å; F17-L21 HydrophobicContact CD1-CG 4.25Å; F17-L21 HydrophobicContact CE1-CD1 3.62Å; F17-L21 HydrophobicContact CE1-CD2 4.42Å; F17-L21 HydrophobicContact CE1-CG 4.05Å; F17-L21 WeakPolarHBondContact O-CG 3.48Å; F17-L21 PolarHBondContact O-N 3.21Å; F17-F135 HydrophobicContact CD2-CD2 4.18Å; F17-F135 AromaticContact CD2-CE2 3.83Å; F17-F135 HydrophobicContact CD2-CE2 3.83Å; F17-F135 AromaticContact CE2-CD2 3.73Å; F17-F135 HydrophobicContact CE2-CD2 3.73Å; F17-F135 AromaticContact CE2-CE2 3.28Å; F17-F135 HydrophobicContact CE2-CE2 3.28Å; F17-F135 HydrophobicContact CE2-CZ 4.15Å; F17-F135 AromaticContact CZ-CE2 3.78Å; F17-F135 HydrophobicContact CZ-CE2 3.78Å; F17-F135 HydrophobicContact CZ-CZ 4.23Å; F17-F139 HydrophobicContact CZ-CD2 4.42Å; F17-V142 HydrophobicContact CE1-CG1 4.43Å; F17-V142 HydrophobicContact CZ-CG1 4.47Å
18W75.6Confident68.8Low163 Ų16385.1 Ų85.162%0.61740%0.402SS*.Hα-helixtrans-68.6-37176.6-166.379.8000112.9F14 R15 R16 L21 K22F14-W18 VanDerWaalsContact O-CB 3.26Å; F14-W18 WeakPolarHBondContact O-CB 3.36Å; F14-W18 PolarHBondContact O-N 3.39Å; R15-W18 PolarHBondContact O-N 3.35Å; R16-W18 VanDerWaalsContact C-N 3.31Å; R16-W18 PolarHBondContact O-N 3.47Å; W18-L21 WeakPolarHBondContact O-CB 3.2Å; W18-L21 PolarHBondContact O-N 3.15Å; W18-K22 PolarHBondContact O-N 3.05Å
19L71.2Confident70.1Confident85 Ų8591.2 Ų91.245%0.44543%0.432SS..Hα-helixtrans-62.2-44.5170.9-74.3165.2000111.5R15 R16 L21 K22 I23R15-L19 HydrophobicContact CG-CD1 4.5Å; R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 3.39Å; R16-L19 PolarHBondContact O-N 2.83Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L19-L21 PolarHBondContact O-N 2.89Å; L19-K22 PolarHBondContact O-N 3.42Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.79Å
20L71.2Confident71.1Confident33 Ų3389.4 Ų89.417%0.17343%0.426CS..Hα-helixtrans-60.3-43.7174.4-73.7171.1000111.5R16 F17 K22 I23 M24 T131 F135 M316R16-L20 WeakPolarHBondContact O-CG 3.27Å; R16-L20 PolarHBondContact O-N 3.22Å; F17-L20 PolarHBondContact O-N 2.76Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 2.82Å; L20-I23 PolarHBondContact O-N 3.13Å; L20-M24 WeakPolarHBondContact O-CB 3.47Å; L20-M24 WeakPolarHBondContact O-CG 3.43Å; L20-M24 PolarHBondContact O-N 3.23Å; L20-T131 HydrophobicContact CD1-CG2 4.48Å; L20-F135 HydrophobicContact CB-CE2 4.4Å; L20-M316 HydrophobicContact CD1-SD 4.3Å
21L75Confident71.7Confident41 Ų4190.2 Ų90.222%0.21544%0.436CS..Hα-helixtrans-56.6-43.2174.4-75.6171.6000112.2F17 W18 L19 I23 M24 F25 F135 F139F17-L21 HydrophobicContact CD1-CD1 3.8Å; F17-L21 HydrophobicContact CD1-CG 4.25Å; F17-L21 HydrophobicContact CE1-CD1 3.62Å; F17-L21 HydrophobicContact CE1-CD2 4.42Å; F17-L21 HydrophobicContact CE1-CG 4.05Å; F17-L21 WeakPolarHBondContact O-CG 3.48Å; F17-L21 PolarHBondContact O-N 3.21Å; W18-L21 WeakPolarHBondContact O-CB 3.2Å; W18-L21 PolarHBondContact O-N 3.15Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L19-L21 PolarHBondContact O-N 2.89Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 2.85Å; L21-M24 PolarHBondContact O-N 2.86Å; L21-F25 HydrophobicContact CD2-CD2 3.84Å; L21-F25 HydrophobicContact CD2-CE2 3.68Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.37Å; L21-F25 PolarHBondContact O-N 3.19Å; L21-F135 HydrophobicContact CD2-CE2 4.38Å; L21-F135 HydrophobicContact CD2-CZ 3.73Å; L21-F135 HydrophobicContact CG-CZ 4.39Å; L21-F139 HydrophobicContact CD2-CD2 4.06Å; L21-F139 HydrophobicContact CD2-CE2 3.76Å
22K74.8Confident72.1Confident141 Ų14183.2 Ų83.261%0.61340%0.4SS*.Hα-helixtrans-65.3-37.1178.7-169.1179.1179.2-176.20112.3W18 L19 L20W18-K22 PolarHBondContact O-N 3.05Å; L19-K22 PolarHBondContact O-N 3.42Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 2.82Å
23I69Low72.9Confident92 Ų9281.2 Ų81.247%0.47239%0.387SS..Hα-helixtrans-71.6-41.6176.9-65.6165.9000110.8L19 L20 L21 L109L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.79Å; L20-I23 PolarHBondContact O-N 3.13Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 2.85Å; I23-L109 HydrophobicContact CG2-CD1 4.33Å; I23-L109 HydrophobicContact CG2-CG 4.18Å
24M68.7Low73.6Confident18 Ų1885.2 Ų85.29%0.08941%0.408CS..Hα-helixtrans-75.6-32.9-177.2-68.6-171.261.400113.4L20 L21 P26 T32 C105 F135L20-M24 WeakPolarHBondContact O-CB 3.47Å; L20-M24 WeakPolarHBondContact O-CG 3.43Å; L20-M24 PolarHBondContact O-N 3.23Å; L21-M24 PolarHBondContact O-N 2.86Å; M24-P26 VanDerWaalsContact C-CD 3.41Å; M24-P26 WeakPolarHBondContact O-CD 3.15Å; M24-T32 PolarHBondContact O-OG1 3.26Å; M24-C105 HydrophobicContact CE-CB 4.39Å; M24-C105 WeakPolarHBondContact CE-SG 3.38Å; M24-C105 VanDerWaalsContact CG-SG 3.54Å; M24-F135 HydrophobicContact CE-CD1 3.41Å; M24-F135 VanDerWaalsContact CE-CD1 3.41Å; M24-F135 HydrophobicContact CE-CE1 3.42Å; M24-F135 VanDerWaalsContact CE-CE1 3.42Å; M24-F135 HydrophobicContact CE-CG 4.33Å; M24-F135 HydrophobicContact CE-CZ 4.33Å; M24-F135 HydrophobicContact SD-CD1 3.39Å; M24-F135 WeakPolarHBondContact SD-CD1 3.46Å; M24-F135 HydrophobicContact SD-CD2 4.14Å; M24-F135 HydrophobicContact SD-CE1 3.34Å; M24-F135 WeakPolarHBondContact SD-CE1 3.43Å; M24-F135 HydrophobicContact SD-CE2 4.09Å; M24-F135 HydrophobicContact SD-CG 3.81Å; M24-F135 HydrophobicContact SD-CZ 3.71Å
25F76Confident74.1Confident47 Ų4782.2 Ų82.221%0.20640%0.397CS..  trans-123.567.2-177.6-52.2-67.3000110.7L21 R27 T32 A33 A36 F135 F139L21-F25 HydrophobicContact CD2-CD2 3.84Å; L21-F25 HydrophobicContact CD2-CE2 3.68Å; L21-F25 WeakPolarHBondContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.37Å; L21-F25 PolarHBondContact O-N 3.19Å; F25-R27 PolarHBondContact O-N 3.19Å; F25-T32 WeakPolarHBondContact CE1-O 3.31Å; F25-A33 HydrophobicContact CD1-CB 4.01Å; F25-A36 HydrophobicContact CE1-CB 3.56Å; F25-A36 HydrophobicContact CZ-CB 3.67Å; F25-F135 HydrophobicContact CE2-CE1 4.49Å; F25-F135 HydrophobicContact CE2-CZ 4.49Å; F25-F139 HydrophobicContact CE2-CE2 4.13Å; F25-F139 HydrophobicContact CE2-CZ 4.45Å; F25-F139 HydrophobicContact CZ-CZ 4.45Å
26P71.3Confident74.6Confident85 Ų8573.5 Ų73.555%0.55237%0.366SS*.SBendtrans-68.1-24.3-177.827.8-35.1000112.6M24M24-P26 VanDerWaalsContact C-CD 3.41Å; M24-P26 WeakPolarHBondContact O-CD 3.15Å
27R76.9Confident75.5Confident198 Ų19874 Ų7475%0.74737%0.373SS*.SBendtrans-138.9143.2178.7-64.4-175.5-179.9173.90.2109.8F25 L29 S30F25-R27 PolarHBondContact O-N 3.19Å; R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.42Å; R27-S30 PolarHBondContact O-N 3.35Å; R27-S30 VanDerWaalsContact O-N 3.16Å; R27-S30 PolarHBondContact O-OG 2.75Å
28V71.8Confident76.2Confident117 Ų11776.4 Ų76.471%0.70939%0.386SS*.THydrogen-bonded Turntrans-65-27.4-177.9-1760000112.7A33V28-A33 WeakPolarHBondContact O-CB 3.14Å
29L77.6Confident76.6Confident153 Ų15368.8 Ų68.880%0.80136%0.358SS*.THydrogen-bonded Turntrans-9917.8176.8-83.393.2000114R27R27-L29 VanDerWaalsContact C-N 3.25Å; R27-L29 PolarHBondContact O-N 3.42Å
30S75Confident77.4Confident17 Ų1767.1 Ų67.112%0.11935%0.349CS..SBendtrans-67.8151.2171.668.60000110.6R27 T32 A33 L34R27-S30 PolarHBondContact O-N 3.35Å; R27-S30 VanDerWaalsContact O-N 3.16Å; R27-S30 PolarHBondContact O-OG 2.75Å; S30-T32 PolarHBondContact O-N 3.13Å; S30-T32 VanDerWaalsContact O-N 3.16Å; S30-T32 PolarHBondContact OG-OG1 3.33Å; S30-A33 PolarHBondContact O-N 2.89Å; S30-A33 WeakPolarHBondContact OG-CB 3.18Å; S30-A33 PolarHBondContact OG-N 3.26Å; S30-A33 VanDerWaalsContact OG-N 3.1Å; S30-L34 PolarHBondContact O-N 3.42Å
31C75.8Confident78.3Confident86 Ų8671.1 Ų71.158%0.58137%0.37SS*.Hα-helixtrans-51.4-37.9171.6-178.80000111.5L34 L35C31-L34 PolarHBondContact O-N 3.04Å; C31-L35 VanDerWaalsContact O-CG 3.3Å; C31-L35 WeakPolarHBondContact O-CG 3.42Å; C31-L35 PolarHBondContact O-N 3.28Å
32T74.5Confident79.1Confident13 Ų1370.3 Ų70.38%0.0837%0.366CS..Hα-helixtrans-62.3-44.7175.153.10000112.3M24 F25 S30 L35 A36 Q100M24-T32 PolarHBondContact O-OG1 3.26Å; F25-T32 WeakPolarHBondContact CE1-O 3.31Å; S30-T32 PolarHBondContact O-N 3.13Å; S30-T32 VanDerWaalsContact O-N 3.16Å; S30-T32 PolarHBondContact OG-OG1 3.33Å; T32-L35 PolarHBondContact O-N 2.95Å; T32-A36 WeakPolarHBondContact O-CB 3.5Å; T32-A36 PolarHBondContact O-N 2.93Å; T32-Q100 PolarHBondContact O-NE2 3.18Å
33A79.8Confident79.7Confident10 Ų1063.8 Ų63.88%0.08334%0.338CS..Hα-helixtrans-67.5-41.7179.400000112.2F25 V28 S30 L35 A36 I37F25-A33 HydrophobicContact CD1-CB 4.01Å; V28-A33 WeakPolarHBondContact O-CB 3.14Å; S30-A33 PolarHBondContact O-N 2.89Å; S30-A33 WeakPolarHBondContact OG-CB 3.18Å; S30-A33 PolarHBondContact OG-N 3.26Å; S30-A33 VanDerWaalsContact OG-N 3.1Å; A33-L35 PolarHBondContact O-N 3.48Å; A33-A36 WeakPolarHBondContact O-CB 3.44Å; A33-A36 PolarHBondContact O-N 3.37Å; A33-I37 WeakPolarHBondContact O-CG1 3.23Å; A33-I37 PolarHBondContact O-N 2.69Å
34L81.7Confident80.8Confident103 Ų10360.5 Ų60.554%0.53933%0.327SS..Hα-helixtrans-60-45.5175.3-76.3168.2000112S30 C31 A36 I37 L38S30-L34 PolarHBondContact O-N 3.42Å; C31-L34 PolarHBondContact O-N 3.04Å; L34-A36 PolarHBondContact O-N 2.9Å; L34-I37 PolarHBondContact O-N 3.04Å; L34-L38 PolarHBondContact O-N 2.88Å
35L80.6Confident81.9Confident47 Ų4763.7 Ų63.725%0.24634%0.344CS..Hα-helixtrans-63.6-32.9175.1-69.2166.6000111.2C31 T32 A33 L38 V39 F96 Q100C31-L35 VanDerWaalsContact O-CG 3.3Å; C31-L35 WeakPolarHBondContact O-CG 3.42Å; C31-L35 PolarHBondContact O-N 3.28Å; T32-L35 PolarHBondContact O-N 2.95Å; A33-L35 PolarHBondContact O-N 3.48Å; L35-L38 WeakPolarHBondContact O-CB 3.43Å; L35-L38 PolarHBondContact O-N 2.74Å; L35-V39 PolarHBondContact O-N 2.87Å; L35-F96 HydrophobicContact CD2-CE1 4.2Å; L35-Q100 VanDerWaalsContact C-CD 3.4Å; L35-Q100 HydrophobicContact CB-CG 3.49Å; L35-Q100 VanDerWaalsContact CB-CG 3.49Å; L35-Q100 HydrophobicContact CD1-CG 3.92Å; L35-Q100 HydrophobicContact CG-CG 4.28Å; L35-Q100 PolarHBondContact O-NE2 3.36Å; L35-Q100 PolarHBondContact O-OE1 3.24Å; L35-Q100 VanDerWaalsContact O-OE1 3.12Å
36A81.1Confident82.7Confident5 Ų562 Ų624%0.04134%0.337CS..Hα-helixtrans-73-38.9-177.500000110.5F25 T32 A33 L34 L38 V39 L40 F139F25-A36 HydrophobicContact CE1-CB 3.56Å; F25-A36 HydrophobicContact CZ-CB 3.67Å; T32-A36 WeakPolarHBondContact O-CB 3.5Å; T32-A36 PolarHBondContact O-N 2.93Å; A33-A36 WeakPolarHBondContact O-CB 3.44Å; A33-A36 PolarHBondContact O-N 3.37Å; L34-A36 PolarHBondContact O-N 2.9Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-V39 PolarHBondContact O-N 2.87Å; A36-L40 VanDerWaalsContact O-CG 3.32Å; A36-L40 WeakPolarHBondContact O-CG 3.15Å; A36-L40 PolarHBondContact O-N 3.47Å; A36-F139 HydrophobicContact CB-CE1 3.97Å; A36-F139 HydrophobicContact CB-CZ 4.08Å
37I85.3Confident83.6Confident83 Ų8360 Ų6043%0.42632%0.32SS..Hα-helixtrans-59.9-46170-66.2164.5000110A33 L34 V39 L40 L41A33-I37 WeakPolarHBondContact O-CG1 3.23Å; A33-I37 PolarHBondContact O-N 2.69Å; L34-I37 PolarHBondContact O-N 3.04Å; I37-V39 VanDerWaalsContact C-N 3.35Å; I37-V39 PolarHBondContact O-N 2.82Å; I37-L40 PolarHBondContact O-N 2.77Å; I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.36Å; I37-L41 WeakPolarHBondContact O-CG 3.39Å; I37-L41 PolarHBondContact O-N 2.92Å
38L86.5Confident84.4Confident68 Ų6854.5 Ų54.536%0.35631%0.309SS..Hα-helixtrans-58.8-44.6176.7179.666000112L34 L35 A36 L40 L41 L42 F96L34-L38 PolarHBondContact O-N 2.88Å; L35-L38 WeakPolarHBondContact O-CB 3.43Å; L35-L38 PolarHBondContact O-N 2.74Å; A36-L38 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 3.26Å; L38-L41 PolarHBondContact O-N 2.8Å; L38-L42 HydrophobicContact CD1-CD1 4.33Å; L38-L42 HydrophobicContact CD1-CG 4.38Å; L38-L42 HydrophobicContact CG-CD1 4.12Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 3.03Å; L38-F96 HydrophobicContact CD2-CD1 4.05Å; L38-F96 HydrophobicContact CD2-CE1 3.67Å; L38-F96 HydrophobicContact CD2-CZ 4.34Å
39V85.5Confident85.4Confident3 Ų350 Ų502%0.01828%0.281CS..Hα-helixtrans-63.5-39.9176.6165.50000111.7L35 A36 I37 G43 F93 F96L35-V39 PolarHBondContact O-N 2.87Å; A36-V39 PolarHBondContact O-N 2.87Å; I37-V39 VanDerWaalsContact C-N 3.35Å; I37-V39 PolarHBondContact O-N 2.82Å; V39-G43 PolarHBondContact O-N 2.74Å; V39-F93 HydrophobicContact CG1-CE2 3.91Å; V39-F93 WeakPolarHBondContact O-CE2 3.24Å; V39-F96 HydrophobicContact CG2-CB 3.98Å
40L88Confident86.1Confident49 Ų4943.3 Ų43.326%0.25725%0.246SC..Hα-helixtrans-67.5-38.6175.9-68.7175000112.3A36 I37 L38 G43 G44 F139 V143 M144A36-L40 VanDerWaalsContact O-CG 3.32Å; A36-L40 WeakPolarHBondContact O-CG 3.15Å; A36-L40 PolarHBondContact O-N 3.47Å; I37-L40 PolarHBondContact O-N 2.77Å; L38-L40 PolarHBondContact O-N 3.26Å; L40-G43 PolarHBondContact O-N 2.72Å; L40-G44 PolarHBondContact O-N 2.96Å; L40-F139 HydrophobicContact CD1-CE1 4.41Å; L40-F139 HydrophobicContact CD1-CZ 4.26Å; L40-F139 HydrophobicContact CD2-CE1 4.23Å; L40-F139 HydrophobicContact CG-CE1 4.17Å; L40-V143 HydrophobicContact CD1-CG1 4.12Å; L40-V143 HydrophobicContact CD2-CB 3.83Å; L40-V143 HydrophobicContact CD2-CG1 3.53Å; L40-V143 HydrophobicContact CD2-CG2 4.47Å; L40-V143 HydrophobicContact CG-CG1 4.5Å; L40-M144 HydrophobicContact CD2-CG 4.46Å; L40-M144 HydrophobicContact CD2-SD 4.43Å
41L90.5Very high87Confident118 Ų11844.9 Ų44.962%0.61825%0.25SC*.Hα-helixtrans-65.4-46.7175.7-72.6173.6000111.9I37 L38 G43 G44 L45I37-L41 HydrophobicContact CG2-CD1 4.02Å; I37-L41 HydrophobicContact CG2-CG 4.36Å; I37-L41 WeakPolarHBondContact O-CG 3.39Å; I37-L41 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 2.8Å; L41-G43 VanDerWaalsContact C-N 3.3Å; L41-G43 PolarHBondContact O-N 3.06Å; L41-G44 PolarHBondContact O-N 3.48Å; L41-L45 PolarHBondContact O-N 2.82Å
42L90Very high87.8Confident24 Ų2443.6 Ų43.613%0.12624%0.237CC..Hα-helixtrans-62-40.1174.1-72.8172.6000111.3L38 L45 D46 I92 F93L38-L42 HydrophobicContact CD1-CD1 4.33Å; L38-L42 HydrophobicContact CD1-CG 4.38Å; L38-L42 HydrophobicContact CG-CD1 4.12Å; L38-L42 WeakPolarHBondContact O-CB 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 3.03Å; L42-L45 PolarHBondContact O-N 3.15Å; L42-D46 WeakPolarHBondContact O-CB 3.37Å; L42-D46 PolarHBondContact O-N 3.22Å; L42-I92 HydrophobicContact CD1-CG2 3.8Å; L42-I92 HydrophobicContact CD2-CG2 4.39Å; L42-F93 HydrophobicContact CB-CD2 3.87Å
43G88.9Confident88.7Confident3 Ų344.6 Ų44.63%0.03124%0.243CC..Hα-helixtrans-60.7-45.2173.700000112V39 L40 L41 L45 D46 Q47V39-G43 PolarHBondContact O-N 2.74Å; L40-G43 PolarHBondContact O-N 2.72Å; L41-G43 VanDerWaalsContact C-N 3.3Å; L41-G43 PolarHBondContact O-N 3.06Å; G43-L45 PolarHBondContact O-N 2.87Å; G43-D46 PolarHBondContact O-N 3.28Å; G43-Q47 VanDerWaalsContact O-CG 3.28Å; G43-Q47 WeakPolarHBondContact O-CG 3.35Å; G43-Q47 PolarHBondContact O-N 2.97Å
44G91.4Very high89.3Confident24 Ų2444.8 Ų44.825%0.24725%0.246CC..Hα-helixtrans-60.4-43.7174.500000112.9L40 L41 Q47 V48L40-G44 PolarHBondContact O-N 2.96Å; L41-G44 PolarHBondContact O-N 3.48Å; G44-Q47 WeakPolarHBondContact O-CB 3.43Å; G44-Q47 PolarHBondContact O-N 2.92Å; G44-V48 WeakPolarHBondContact O-CG2 3.42Å; G44-V48 PolarHBondContact O-N 3.45Å
45L92.5Very high89.8Confident84 Ų8440.6 Ų40.644%0.4423%0.225SC..Hα-helixtrans-63.6-42.4176.3-176.463.6000112L41 L42 G43 Q47 V48 L49 V89L41-L45 PolarHBondContact O-N 2.82Å; L42-L45 PolarHBondContact O-N 3.15Å; G43-L45 PolarHBondContact O-N 2.87Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 2.93Å; L45-V48 PolarHBondContact O-N 3.15Å; L45-L49 HydrophobicContact CG-CD1 4.16Å; L45-L49 WeakPolarHBondContact O-CG 3.07Å; L45-L49 PolarHBondContact O-N 3.33Å; L45-V89 HydrophobicContact CB-CG1 4.39Å; L45-V89 HydrophobicContact CD2-CG1 4.22Å; L45-V89 HydrophobicContact CD2-CG2 3.53Å; L45-V89 HydrophobicContact CG-CG1 4.24Å; L45-V89 HydrophobicContact CG-CG2 4.02Å
46D91.2Very high90.4Very high13 Ų1339 Ų397%0.0722%0.216CC..Hα-helixtrans-59.8-39175.1-175.582.3000111.6L42 G43 L49 T50 V89 S90L42-D46 WeakPolarHBondContact O-CB 3.37Å; L42-D46 PolarHBondContact O-N 3.22Å; G43-D46 PolarHBondContact O-N 3.28Å; D46-L49 PolarHBondContact O-N 3.42Å; D46-T50 VanDerWaalsContact O-CB 3.24Å; D46-T50 WeakPolarHBondContact O-CB 3.16Å; D46-T50 PolarHBondContact O-N 3.45Å; D46-T50 PolarHBondContact O-OG1 3.1Å; D46-V89 HydrophobicContact CB-CG1 3.92Å; D46-S90 PolarHBondContact OD1-OG 3.48Å
47Q91.8Very high91Very high41 Ų4141.6 Ų41.619%0.19223%0.232CC..Hα-helixtrans-66.4-42.1175.6-68.2-57-53.200112.7G43 G44 L45 T50 Y51 M144 I148 Y298G43-Q47 VanDerWaalsContact O-CG 3.28Å; G43-Q47 WeakPolarHBondContact O-CG 3.35Å; G43-Q47 PolarHBondContact O-N 2.97Å; G44-Q47 WeakPolarHBondContact O-CB 3.43Å; G44-Q47 PolarHBondContact O-N 2.92Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 2.93Å; Q47-T50 PolarHBondContact O-N 3.35Å; Q47-Y51 PolarHBondContact O-N 3.3Å; Q47-M144 HydrophobicContact CG-CE 4.11Å; Q47-I148 VanDerWaalsContact CD-CD1 3.48Å; Q47-I148 HydrophobicContact CG-CD1 3.94Å; Q47-I148 HydrophobicContact CG-CG1 4.27Å; Q47-Y298 PolarHBondContact OE1-OH 3.42Å
48V92.9Very high91.4Very high84 Ų8437.9 Ų37.951%0.50921%0.214SC..Hα-helixtrans-63.1-45.6175.9171.80000111G44 L45 T50 Y51 N52G44-V48 WeakPolarHBondContact O-CG2 3.42Å; G44-V48 PolarHBondContact O-N 3.45Å; L45-V48 PolarHBondContact O-N 3.15Å; V48-T50 VanDerWaalsContact C-N 3.31Å; V48-T50 PolarHBondContact O-N 3.39Å; V48-Y51 PolarHBondContact O-N 2.73Å; V48-N52 PolarHBondContact O-N 3.37Å; V48-N52 VanDerWaalsContact O-N 3.13Å; V48-N52 PolarHBondContact O-ND2 3.03Å; V48-N52 VanDerWaalsContact O-ND2 3.11Å
49L93.4Very high91.7Very high22 Ų2236.9 Ų36.912%0.11521%0.207CC..Hα-helixtrans-64.1-38.7176.4-71.3168.6000111.3L45 D46 N52 V53 L82 K86 V89L45-L49 HydrophobicContact CG-CD1 4.16Å; L45-L49 WeakPolarHBondContact O-CG 3.07Å; L45-L49 PolarHBondContact O-N 3.33Å; D46-L49 PolarHBondContact O-N 3.42Å; L49-N52 PolarHBondContact O-N 2.99Å; L49-V53 WeakPolarHBondContact O-CB 3.28Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 2.87Å; L49-L82 HydrophobicContact CD2-CD2 3.97Å; L49-K86 HydrophobicContact CB-CB 4.21Å; L49-V89 HydrophobicContact CD1-CB 3.92Å; L49-V89 HydrophobicContact CD1-CG1 4.42Å; L49-V89 HydrophobicContact CD1-CG2 3.57Å
50T92.4Very high92.1Very high12 Ų1238.9 Ų38.97%0.07422%0.216CC..Hα-helixtrans-65.2-39.5176.9-68.50000112.8D46 Q47 V48 G54 K86 Y298D46-T50 VanDerWaalsContact O-CB 3.24Å; D46-T50 WeakPolarHBondContact O-CB 3.16Å; D46-T50 PolarHBondContact O-N 3.45Å; D46-T50 PolarHBondContact O-OG1 3.1Å; Q47-T50 PolarHBondContact O-N 3.35Å; V48-T50 VanDerWaalsContact C-N 3.31Å; V48-T50 PolarHBondContact O-N 3.39Å; T50-G54 PolarHBondContact O-N 3.28Å; T50-K86 WeakPolarHBondContact OG1-CE 3.07Å; T50-K86 PolarHBondContact OG1-NZ 3.26Å; T50-Y298 HydrophobicContact CG2-CD2 4.43Å; T50-Y298 HydrophobicContact CG2-CE2 3.4Å; T50-Y298 VanDerWaalsContact CG2-CE2 3.4Å; T50-Y298 WeakPolarHBondContact CG2-OH 3.42Å
51Y93.6Very high92.4Very high51 Ų5142.6 Ų42.620%0.223%0.228CC..Hα-helixtrans-59.2-49.8171.7171.8-93.5000111.4Q47 V48 V53 G54 V55 Y151 Y152 F294 Y295Q47-Y51 PolarHBondContact O-N 3.3Å; V48-Y51 PolarHBondContact O-N 2.73Å; Y51-V53 PolarHBondContact O-N 3.4Å; Y51-G54 PolarHBondContact O-N 2.98Å; Y51-V55 HydrophobicContact CD2-CG2 4.45Å; Y51-V55 HydrophobicContact CE1-CG2 4.35Å; Y51-V55 HydrophobicContact CE2-CG2 4.09Å; Y51-V55 WeakPolarHBondContact O-CG2 3.3Å; Y51-V55 PolarHBondContact O-N 3.05Å; Y51-V55 VanDerWaalsContact O-N 3.1Å; Y51-Y151 HydrophobicContact CD2-CE1 4.09Å; Y51-Y151 HydrophobicContact CE2-CE1 4.2Å; Y51-Y152 HydrophobicContact CD2-CE1 4.44Å; Y51-F294 HydrophobicContact CD2-CE1 4.37Å; Y51-Y295 HydrophobicContact CD2-CE1 4.46Å; Y51-Y295 AromaticContact CE2-CE1 3.71Å; Y51-Y295 HydrophobicContact CE2-CE1 3.71Å; Y51-Y295 PolarHBondContact OH-OH 3.25Å
52N93.1Very high92.5Very high58 Ų5841.5 Ų41.531%0.3122%0.219SC..Hα-helixtrans-63.4-42.3-178.3-73-45.5000112V48 L49 G54 V55 M56 L82V48-N52 PolarHBondContact O-N 3.37Å; V48-N52 VanDerWaalsContact O-N 3.13Å; V48-N52 PolarHBondContact O-ND2 3.03Å; V48-N52 VanDerWaalsContact O-ND2 3.11Å; L49-N52 PolarHBondContact O-N 2.99Å; N52-G54 VanDerWaalsContact C-N 3.35Å; N52-V55 PolarHBondContact O-N 2.82Å; N52-M56 WeakPolarHBondContact O-CG 3.48Å; N52-M56 PolarHBondContact O-N 3.42Å; N52-L82 HydrophobicContact CB-CD1 3.97Å; N52-L82 HydrophobicContact CB-CD2 4.04Å
53V93.2Very high92.6Very high34 Ų3441.2 Ų41.221%0.20622%0.219CC..Hα-helixtrans-64.8-38.7175.31730000111.8L49 Y51 V55 M56 L82 K86L49-V53 WeakPolarHBondContact O-CB 3.28Å; L49-V53 VanDerWaalsContact O-CG2 3.25Å; L49-V53 WeakPolarHBondContact O-CG2 3.45Å; L49-V53 PolarHBondContact O-N 2.87Å; Y51-V53 PolarHBondContact O-N 3.4Å; V53-V55 PolarHBondContact O-N 2.93Å; V53-M56 HydrophobicContact CB-CE 4.18Å; V53-M56 HydrophobicContact CB-SD 4.35Å; V53-M56 HydrophobicContact CG1-SD 4.28Å; V53-M56 HydrophobicContact CG2-CE 3.67Å; V53-M56 HydrophobicContact CG2-SD 4.37Å; V53-M56 WeakPolarHBondContact O-CB 3.33Å; V53-M56 WeakPolarHBondContact O-CG 3.14Å; V53-M56 PolarHBondContact O-N 3.05Å; V53-L82 HydrophobicContact CG2-CB 4.34Å; V53-K86 HydrophobicContact CB-CD 4.33Å; V53-K86 HydrophobicContact CG1-CD 4.47Å; V53-K86 HydrophobicContact CG2-CB 4.37Å; V53-K86 HydrophobicContact CG2-CD 3.95Å
54G92Very high92.8Very high14 Ų1446.3 Ų46.314%0.14424%0.244CC..Hα-helixtrans-68.3-30.4-18000000115T50 Y51 N52 P57 F294T50-G54 PolarHBondContact O-N 3.28Å; Y51-G54 PolarHBondContact O-N 2.98Å; N52-G54 VanDerWaalsContact C-N 3.35Å; G54-P57 WeakPolarHBondContact O-CD 3.34Å; G54-F294 WeakPolarHBondContact O-CG 3.35Å
55V92.5Very high92.7Very high16 Ų1647 Ų4710%0.09725%0.252CS..Hα-helixtrans-84.1-16178.2179.10000112Y51 N52 V53 P57 S58 R291 F294 Y295Y51-V55 HydrophobicContact CD2-CG2 4.45Å; Y51-V55 HydrophobicContact CE1-CG2 4.35Å; Y51-V55 HydrophobicContact CE2-CG2 4.09Å; Y51-V55 WeakPolarHBondContact O-CG2 3.3Å; Y51-V55 PolarHBondContact O-N 3.05Å; Y51-V55 VanDerWaalsContact O-N 3.1Å; N52-V55 PolarHBondContact O-N 2.82Å; V53-V55 PolarHBondContact O-N 2.93Å; V55-P57 VanDerWaalsContact C-CD 3.43Å; V55-S58 VanDerWaalsContact CG1-OG 3.3Å; V55-S58 WeakPolarHBondContact CG1-OG 3.44Å; V55-S58 WeakPolarHBondContact O-CB 3.45Å; V55-S58 PolarHBondContact O-N 2.85Å; V55-S58 PolarHBondContact O-OG 2.96Å; V55-R291 HydrophobicContact CG1-CG 4.35Å; V55-F294 HydrophobicContact CG2-CD1 4.1Å; V55-F294 HydrophobicContact CG2-CE1 4.39Å; V55-Y295 HydrophobicContact CG2-CE1 4.1Å
56M92.8Very high92.6Very high13 Ų1345.6 Ų45.66%0.06426%0.258CS..Hα-helixtrans-49.3-45.2-178.8-69.3174.2179.400114.8N52 V53 S58 E59 F60 L82 V83N52-M56 WeakPolarHBondContact O-CG 3.48Å; N52-M56 PolarHBondContact O-N 3.42Å; V53-M56 HydrophobicContact CB-CE 4.18Å; V53-M56 HydrophobicContact CB-SD 4.35Å; V53-M56 HydrophobicContact CG1-SD 4.28Å; V53-M56 HydrophobicContact CG2-CE 3.67Å; V53-M56 HydrophobicContact CG2-SD 4.37Å; V53-M56 WeakPolarHBondContact O-CB 3.33Å; V53-M56 WeakPolarHBondContact O-CG 3.14Å; V53-M56 PolarHBondContact O-N 3.05Å; M56-S58 PolarHBondContact O-N 3.24Å; M56-S58 VanDerWaalsContact O-N 3.13Å; M56-E59 PolarHBondContact O-N 3.35Å; M56-F60 WeakPolarHBondContact O-CD2 3.29Å; M56-F60 PolarHBondContact O-N 3.42Å; M56-F60 VanDerWaalsContact O-N 3.17Å; M56-L82 HydrophobicContact CE-CB 3.14Å; M56-L82 HydrophobicContact CE-CD1 3.39Å; M56-L82 HydrophobicContact CE-CG 3.9Å; M56-V83 HydrophobicContact CE-CG2 4.4Å; M56-V83 HydrophobicContact SD-CG2 4.42Å
57P93.6Very high92.5Very high59 Ų5956 Ų5638%0.38330%0.296SS..Hα-helixtrans-58.4-31.1-179.2-24.736.6000112.5G54 V55 F60 Y61G54-P57 WeakPolarHBondContact O-CD 3.34Å; V55-P57 VanDerWaalsContact C-CD 3.43Å; P57-F60 PolarHBondContact O-N 2.98Å; P57-Y61 WeakPolarHBondContact O-CD2 3.3Å; P57-Y61 PolarHBondContact O-N 3.2Å
58S93.6Very high92.5Very high6 Ų657.9 Ų57.94%0.04231%0.308CS..Hα-helixtrans-66.1-37.4176.273.70000113V55 M56 Y61 Q62 A287 S290V55-S58 VanDerWaalsContact CG1-OG 3.3Å; V55-S58 WeakPolarHBondContact CG1-OG 3.44Å; V55-S58 WeakPolarHBondContact O-CB 3.45Å; V55-S58 PolarHBondContact O-N 2.85Å; V55-S58 PolarHBondContact O-OG 2.96Å; M56-S58 PolarHBondContact O-N 3.24Å; M56-S58 VanDerWaalsContact O-N 3.13Å; S58-Y61 PolarHBondContact O-N 3.33Å; S58-Q62 WeakPolarHBondContact O-CG 3.35Å; S58-Q62 PolarHBondContact O-N 3.1Å; S58-A287 VanDerWaalsContact CB-O 3.29Å; S58-A287 WeakPolarHBondContact CB-O 3.47Å; S58-A287 WeakPolarHBondContact O-CB 3.49Å; S58-S290 PolarHBondContact N-OG 3.07Å
59E93Very high92.4Very high46 Ų4658.2 Ų58.222%0.21531%0.306CS..Hα-helixtrans-66.8-40.7175.4-61.2-175.8175.100110.4M56 Y61 Q62 V63 T75 K78M56-E59 PolarHBondContact O-N 3.35Å; E59-Y61 PolarHBondContact O-N 3.43Å; E59-Q62 PolarHBondContact O-N 3Å; E59-V63 WeakPolarHBondContact O-CG2 3.42Å; E59-V63 PolarHBondContact O-N 3.45Å; E59-T75 HydrophobicContact CB-CG2 3.86Å; E59-K78 IonicContact OE1-NZ 2.79Å; E59-K78 PolarHBondContact OE1-NZ 3.4Å; E59-K78 IonicContact OE2-NZ 2.7Å; E59-K78 PolarHBondContact OE2-NZ 3.29Å
60F94.3Very high92.4Very high46 Ų4662.7 Ų62.720%0.20233%0.33CS..Hα-helixtrans-61.8-40.7173.9-78.6-72.1000112.8M56 P57 Q62 V63 L64 F72 T75 L76 S79M56-F60 WeakPolarHBondContact O-CD2 3.29Å; M56-F60 PolarHBondContact O-N 3.42Å; M56-F60 VanDerWaalsContact O-N 3.17Å; P57-F60 PolarHBondContact O-N 2.98Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.17Å; F60-V63 PolarHBondContact O-N 3.2Å; F60-L64 VanDerWaalsContact O-CB 3.24Å; F60-L64 WeakPolarHBondContact O-CB 3.49Å; F60-L64 VanDerWaalsContact O-CG 3.31Å; F60-L64 WeakPolarHBondContact O-CG 3.46Å; F60-L64 PolarHBondContact O-N 2.95Å; F60-F72 HydrophobicContact CD1-CD2 4.29Å; F60-F72 HydrophobicContact CD1-CE2 4.08Å; F60-F72 HydrophobicContact CE1-CD2 4.25Å; F60-F72 AromaticContact CE1-CE2 3.89Å; F60-F72 HydrophobicContact CE1-CE2 3.89Å; F60-T75 HydrophobicContact CD1-CG2 4.24Å; F60-T75 HydrophobicContact CD2-CG2 4.22Å; F60-T75 HydrophobicContact CE1-CG2 4.07Å; F60-T75 HydrophobicContact CE2-CG2 4.05Å; F60-T75 HydrophobicContact CG-CG2 4.31Å; F60-T75 HydrophobicContact CZ-CG2 3.97Å; F60-L76 HydrophobicContact CZ-CD1 4.47Å; F60-S79 WeakPolarHBondContact CE2-OG 3.05Å
61Y93.4Very high92.4Very high127 Ų12762.5 Ų62.550%0.49833%0.331SS..Hα-helixtrans-61-40.6174.8-79.2-66.5000112.3P57 S58 E59 G65P57-Y61 WeakPolarHBondContact O-CD2 3.3Å; P57-Y61 PolarHBondContact O-N 3.2Å; S58-Y61 PolarHBondContact O-N 3.33Å; E59-Y61 PolarHBondContact O-N 3.43Å; Y61-G65 WeakPolarHBondContact O-CA 3.42Å; Y61-G65 PolarHBondContact O-N 3.23Å
62Q92.3Very high92.4Very high94 Ų9463.5 Ų63.544%0.43934%0.336SS..Hα-helixtrans-65.4-48.5178.3-68.9-177.6-23.300111.8S58 E59 F60 G66 A287S58-Q62 WeakPolarHBondContact O-CG 3.35Å; S58-Q62 PolarHBondContact O-N 3.1Å; E59-Q62 PolarHBondContact O-N 3Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.17Å; Q62-G66 PolarHBondContact O-N 3.35Å; Q62-A287 HydrophobicContact CG-CB 3.37Å
63V92.9Very high92.4Very high19 Ų1966.2 Ų66.212%0.11535%0.346CS..Hα-helixtrans-70.9-43.5-175.21710000112.1E59 F60 G66 R67 D68 G71 F72E59-V63 WeakPolarHBondContact O-CG2 3.42Å; E59-V63 PolarHBondContact O-N 3.45Å; F60-V63 PolarHBondContact O-N 3.2Å; V63-G66 PolarHBondContact O-N 3.44Å; V63-R67 PolarHBondContact O-N 2.83Å; V63-D68 HydrophobicContact CG1-CB 4.38Å; V63-D68 VanDerWaalsContact CG1-O 3.23Å; V63-D68 WeakPolarHBondContact CG1-O 3.4Å; V63-D68 PolarHBondContact O-N 2.79Å; V63-D68 VanDerWaalsContact O-N 3.08Å; V63-G71 VanDerWaalsContact CG1-C 3.42Å; V63-F72 VanDerWaalsContact CG1-CA 3.42Å; V63-F72 HydrophobicContact CG1-CB 3.66Å
64L92.9Very high92.5Very high109 Ų10968.9 Ų68.957%0.57136%0.362SS*.Hα-helixtrans-70.3-38.8177.3-69.1171.1000111.5F60 G66 R67 F72F60-L64 VanDerWaalsContact O-CB 3.24Å; F60-L64 WeakPolarHBondContact O-CB 3.49Å; F60-L64 VanDerWaalsContact O-CG 3.31Å; F60-L64 WeakPolarHBondContact O-CG 3.46Å; F60-L64 PolarHBondContact O-N 2.95Å; L64-G66 VanDerWaalsContact C-N 3.34Å; L64-R67 PolarHBondContact O-N 2.88Å; L64-F72 HydrophobicContact CD2-CD2 3.97Å; L64-F72 HydrophobicContact CD2-CE2 4.11Å
65G90.2Very high92.5Very high39 Ų3968.8 Ų68.840%0.40236%0.359SS..Hα-helixtrans-66.9-35.5174.800000112.8Y61 R67Y61-G65 WeakPolarHBondContact O-CA 3.42Å; Y61-G65 PolarHBondContact O-N 3.23Å; G65-R67 VanDerWaalsContact C-N 3.35Å
66G89.5Confident92.6Very high55 Ų5571.2 Ų71.257%0.56737%0.371SS*.Hα-helixtrans-81-8.1174.600000115Q62 V63 L64 D68Q62-G66 PolarHBondContact O-N 3.35Å; V63-G66 PolarHBondContact O-N 3.44Å; L64-G66 VanDerWaalsContact C-N 3.34Å; G66-D68 PolarHBondContact O-N 2.6Å
67R89.7Confident92.7Very high231 Ų23173.7 Ų73.787%0.87239%0.394SS*.THydrogen-bonded Turntrans53.836.9-174.5-58.3-176.7176.1-177.3-1113.8V63 L64 G65 D69V63-R67 PolarHBondContact O-N 2.83Å; L64-R67 PolarHBondContact O-N 2.88Å; G65-R67 VanDerWaalsContact C-N 3.35Å; R67-D69 PolarHBondContact O-N 2.96Å
68D90.7Very high92.8Very high81 Ų8175.4 Ų75.443%0.43340%0.395SS..  trans-88.2101.2179.7-18010.4000111.4V63 G66 N70 G71 F72V63-D68 HydrophobicContact CG1-CB 4.38Å; V63-D68 VanDerWaalsContact CG1-O 3.23Å; V63-D68 WeakPolarHBondContact CG1-O 3.4Å; V63-D68 PolarHBondContact O-N 2.79Å; V63-D68 VanDerWaalsContact O-N 3.08Å; G66-D68 PolarHBondContact O-N 2.6Å; D68-N70 VanDerWaalsContact C-N 3.35Å; D68-N70 PolarHBondContact O-N 2.97Å; D68-N70 PolarHBondContact OD1-N 2.77Å; D68-N70 VanDerWaalsContact OD1-N 3.16Å; D68-G71 PolarHBondContact O-N 3.48Å; D68-G71 PolarHBondContact OD1-N 2.73Å; D68-G71 VanDerWaalsContact OD2-CA 3.28Å; D68-G71 WeakPolarHBondContact OD2-CA 3.28Å; D68-G71 PolarHBondContact OD2-N 3.24Å; D68-F72 WeakPolarHBondContact O-CB 3.42Å; D68-F72 PolarHBondContact O-N 2.91Å
69D91.5Very high92.8Very high91 Ų9175.7 Ų75.749%0.48740%0.397SS..Hα-helixtrans-63.7-37.8179.7-178.353.8000112.7R67 F72 K73R67-D69 PolarHBondContact O-N 2.96Å; D69-F72 PolarHBondContact O-N 3.09Å; D69-K73 PolarHBondContact O-N 3.22Å; D69-K73 VanDerWaalsContact O-N 3.15Å; D69-K73 IonicContact OD1-NZ 3.67Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 3.68Å; D69-K73 PolarHBondContact OD2-NZ 2.98Å
70N93.2Very high92.8Very high115 Ų11580.4 Ų80.462%0.61542%0.417SS*.Hα-helixtrans-72.1-41.9179.3-72.5-26.1000110.6D68 F72 K73 T74D68-N70 VanDerWaalsContact C-N 3.35Å; D68-N70 PolarHBondContact O-N 2.97Å; D68-N70 PolarHBondContact OD1-N 2.77Å; D68-N70 VanDerWaalsContact OD1-N 3.16Å; N70-F72 PolarHBondContact O-N 3.2Å; N70-K73 PolarHBondContact O-N 3.01Å; N70-T74 WeakPolarHBondContact O-CG2 3.28Å; N70-T74 PolarHBondContact O-N 3.44Å; N70-T74 VanDerWaalsContact O-N 3.12Å; N70-T74 PolarHBondContact O-OG1 2.75Å
71G91.9Very high92.8Very high9 Ų980.4 Ų80.49%0.09343%0.43CS..Hα-helixtrans-57.6-36.2170.400000112.6V63 D68 T74 T75V63-G71 VanDerWaalsContact CG1-C 3.42Å; D68-G71 PolarHBondContact O-N 3.48Å; D68-G71 PolarHBondContact OD1-N 2.73Å; D68-G71 VanDerWaalsContact OD2-CA 3.28Å; D68-G71 WeakPolarHBondContact OD2-CA 3.28Å; D68-G71 PolarHBondContact OD2-N 3.24Å; G71-T74 WeakPolarHBondContact CA-OG1 3.47Å; G71-T74 PolarHBondContact O-OG1 3.04Å; G71-T75 VanDerWaalsContact O-CB 3.26Å; G71-T75 WeakPolarHBondContact O-CB 3.48Å; G71-T75 PolarHBondContact O-N 3.37Å; G71-T75 PolarHBondContact O-OG1 3.43Å
72F94.1Very high92.9Very high71 Ų7175.9 Ų75.931%0.31141%0.414SS..Hα-helixtrans-68.7-48-179.7-179.3-101.8000111.6F60 V63 L64 D68 D69 N70 T74 T75 L76F60-F72 HydrophobicContact CD1-CD2 4.29Å; F60-F72 HydrophobicContact CD1-CE2 4.08Å; F60-F72 HydrophobicContact CE1-CD2 4.25Å; F60-F72 AromaticContact CE1-CE2 3.89Å; F60-F72 HydrophobicContact CE1-CE2 3.89Å; V63-F72 VanDerWaalsContact CG1-CA 3.42Å; V63-F72 HydrophobicContact CG1-CB 3.66Å; L64-F72 HydrophobicContact CD2-CD2 3.97Å; L64-F72 HydrophobicContact CD2-CE2 4.11Å; D68-F72 WeakPolarHBondContact O-CB 3.42Å; D68-F72 PolarHBondContact O-N 2.91Å; D69-F72 PolarHBondContact O-N 3.09Å; N70-F72 PolarHBondContact O-N 3.2Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 2.9Å; F72-T75 PolarHBondContact O-N 2.67Å; F72-L76 HydrophobicContact CE1-CD2 4.2Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 PolarHBondContact O-N 3.34Å
73K93.9Very high92.9Very high116 Ų11675.1 Ų75.150%0.50442%0.415SS..Hα-helixtrans-61.1-41.9178-71.3166.8-179.7158.10112.1D69 N70 A77D69-K73 PolarHBondContact O-N 3.22Å; D69-K73 VanDerWaalsContact O-N 3.15Å; D69-K73 IonicContact OD1-NZ 3.67Å; D69-K73 WeakPolarHBondContact OD2-CE 3.35Å; D69-K73 IonicContact OD2-NZ 3.68Å; D69-K73 PolarHBondContact OD2-NZ 2.98Å; N70-K73 PolarHBondContact O-N 3.01Å; K73-A77 WeakPolarHBondContact O-CB 3.43Å; K73-A77 PolarHBondContact O-N 3.49Å
74T94Very high93Very high89 Ų8980 Ų8055%0.54644%0.44SS..Hα-helixtrans-68.2-44.6178.351.90000112.2N70 G71 F72 L76 A77 K78N70-T74 WeakPolarHBondContact O-CG2 3.28Å; N70-T74 PolarHBondContact O-N 3.44Å; N70-T74 VanDerWaalsContact O-N 3.12Å; N70-T74 PolarHBondContact O-OG1 2.75Å; G71-T74 WeakPolarHBondContact CA-OG1 3.47Å; G71-T74 PolarHBondContact O-OG1 3.04Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 2.9Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 3.27Å; T74-A77 PolarHBondContact O-N 2.98Å; T74-K78 VanDerWaalsContact O-CB 3.29Å; T74-K78 WeakPolarHBondContact O-CB 3.31Å; T74-K78 PolarHBondContact O-N 3.44Å
75T93.4Very high93.1Very high13 Ų1376 Ų768%0.0843%0.425CS..Hα-helixtrans-64.1-39176.3-55.30000111.4E59 F60 G71 F72 S79E59-T75 HydrophobicContact CB-CG2 3.86Å; F60-T75 HydrophobicContact CD1-CG2 4.24Å; F60-T75 HydrophobicContact CD2-CG2 4.22Å; F60-T75 HydrophobicContact CE1-CG2 4.07Å; F60-T75 HydrophobicContact CE2-CG2 4.05Å; F60-T75 HydrophobicContact CG-CG2 4.31Å; F60-T75 HydrophobicContact CZ-CG2 3.97Å; G71-T75 VanDerWaalsContact O-CB 3.26Å; G71-T75 WeakPolarHBondContact O-CB 3.48Å; G71-T75 PolarHBondContact O-N 3.37Å; G71-T75 PolarHBondContact O-OG1 3.43Å; F72-T75 PolarHBondContact O-N 2.67Å; T75-S79 VanDerWaalsContact O-CB 3.32Å; T75-S79 WeakPolarHBondContact O-CB 3.36Å; T75-S79 PolarHBondContact O-N 2.91Å; T75-S79 PolarHBondContact O-OG 3.01Å
76L94.7Very high93.2Very high66 Ų6676.9 Ų76.935%0.34642%0.418SS..Hα-helixtrans-63.9-49.5176.1-17465.9000111.5F60 F72 T74 K78 S79 F80F60-L76 HydrophobicContact CZ-CD1 4.47Å; F72-L76 HydrophobicContact CE1-CD2 4.2Å; F72-L76 WeakPolarHBondContact O-CB 3.49Å; F72-L76 PolarHBondContact O-N 3.34Å; T74-L76 VanDerWaalsContact C-N 3.33Å; T74-L76 PolarHBondContact O-N 3.27Å; L76-K78 PolarHBondContact O-N 2.9Å; L76-S79 WeakPolarHBondContact O-CB 3.45Å; L76-S79 PolarHBondContact O-N 2.98Å; L76-S79 VanDerWaalsContact O-N 3.17Å; L76-F80 HydrophobicContact CD1-CD2 4.26Å; L76-F80 HydrophobicContact CD1-CE2 3.87Å; L76-F80 HydrophobicContact CG-CD2 4.17Å; L76-F80 HydrophobicContact CG-CE2 4.02Å; L76-F80 WeakPolarHBondContact O-CD2 3.32Å; L76-F80 PolarHBondContact O-N 3.32Å
77A94.6Very high93.3Very high66 Ų6677 Ų7755%0.54541%0.414SS..Hα-helixtrans-61.1-44.1177.600000112.1K73 T74 S79 F80 G81K73-A77 WeakPolarHBondContact O-CB 3.43Å; K73-A77 PolarHBondContact O-N 3.49Å; T74-A77 PolarHBondContact O-N 2.98Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.34Å; A77-F80 PolarHBondContact O-N 3.47Å; A77-G81 PolarHBondContact O-N 3.46Å; A77-G81 VanDerWaalsContact O-N 3.11Å
78K94.3Very high93.5Very high95 Ų9569.7 Ų69.741%0.41340%0.395SS..Hα-helixtrans-59-41.5173.8178.7-175.2170.4-164.50111.6E59 T74 L76 G81 L82E59-K78 IonicContact OE1-NZ 2.79Å; E59-K78 PolarHBondContact OE1-NZ 3.4Å; E59-K78 IonicContact OE2-NZ 2.7Å; E59-K78 PolarHBondContact OE2-NZ 3.29Å; T74-K78 VanDerWaalsContact O-CB 3.29Å; T74-K78 WeakPolarHBondContact O-CB 3.31Å; T74-K78 PolarHBondContact O-N 3.44Å; L76-K78 PolarHBondContact O-N 2.9Å; K78-G81 PolarHBondContact O-N 3.15Å; K78-L82 HydrophobicContact CG-CD1 3.9Å; K78-L82 WeakPolarHBondContact O-CB 3.44Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 3.27Å
79S93.6Very high93.5Very high11 Ų1166.5 Ų66.58%0.07738%0.378CS..Hα-helixtrans-64.2-45.8179.4-61.10000112.1F60 T75 L76 A77 G81 L82 V83F60-S79 WeakPolarHBondContact CE2-OG 3.05Å; T75-S79 VanDerWaalsContact O-CB 3.32Å; T75-S79 WeakPolarHBondContact O-CB 3.36Å; T75-S79 PolarHBondContact O-N 2.91Å; T75-S79 PolarHBondContact O-OG 3.01Å; L76-S79 WeakPolarHBondContact O-CB 3.45Å; L76-S79 PolarHBondContact O-N 2.98Å; L76-S79 VanDerWaalsContact O-N 3.17Å; A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 3.34Å; S79-G81 PolarHBondContact O-N 2.89Å; S79-L82 PolarHBondContact O-N 3.34Å; S79-V83 WeakPolarHBondContact O-CB 3.19Å; S79-V83 VanDerWaalsContact O-CG2 3.25Å; S79-V83 WeakPolarHBondContact O-CG2 3.28Å; S79-V83 PolarHBondContact O-N 2.9Å
80F94.5Very high93.3Very high146 Ų14663 Ų6364%0.6436%0.361SS*.Hα-helixtrans-58.4-47.5174.3-87.4-74.7000112.2L76 A77 L82 V83 L84L76-F80 HydrophobicContact CD1-CD2 4.26Å; L76-F80 HydrophobicContact CD1-CE2 3.87Å; L76-F80 HydrophobicContact CG-CD2 4.17Å; L76-F80 HydrophobicContact CG-CE2 4.02Å; L76-F80 WeakPolarHBondContact O-CD2 3.32Å; L76-F80 PolarHBondContact O-N 3.32Å; A77-F80 PolarHBondContact O-N 3.47Å; F80-L82 PolarHBondContact O-N 3.27Å; F80-V83 PolarHBondContact O-N 3.07Å; F80-L84 VanDerWaalsContact O-CB 3.31Å; F80-L84 WeakPolarHBondContact O-CB 3.49Å; F80-L84 PolarHBondContact O-N 2.76Å
81G94.1Very high93.1Very high46 Ų4666.5 Ų66.547%0.47437%0.367SS..Hα-helixtrans-61.9-43.518000000113.1A77 K78 S79 G85A77-G81 PolarHBondContact O-N 3.46Å; A77-G81 VanDerWaalsContact O-N 3.11Å; K78-G81 PolarHBondContact O-N 3.15Å; S79-G81 PolarHBondContact O-N 2.89Å; G81-G85 PolarHBondContact O-N 2.85Å
82L93.9Very high92.8Very high32 Ų3269.2 Ų69.217%0.16838%0.378CS..Hα-helixtrans-70.7-39.3178.8-79.4172000113L49 N52 V53 M56 K78 S79 F80 G85 K86L49-L82 HydrophobicContact CD2-CD2 3.97Å; N52-L82 HydrophobicContact CB-CD1 3.97Å; N52-L82 HydrophobicContact CB-CD2 4.04Å; V53-L82 HydrophobicContact CG2-CB 4.34Å; M56-L82 HydrophobicContact CE-CB 3.14Å; M56-L82 HydrophobicContact CE-CD1 3.39Å; M56-L82 HydrophobicContact CE-CG 3.9Å; K78-L82 HydrophobicContact CG-CD1 3.9Å; K78-L82 WeakPolarHBondContact O-CB 3.44Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 3.27Å; S79-L82 PolarHBondContact O-N 3.34Å; F80-L82 PolarHBondContact O-N 3.27Å; L82-G85 PolarHBondContact O-N 2.89Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 PolarHBondContact O-N 3.04Å
83V94Very high92.3Very high77 Ų7766.7 Ų66.747%0.46737%0.367SS..Hα-helixtrans-65.5-42175.4170.90000110.7M56 S79 F80 K86 A87M56-V83 HydrophobicContact CE-CG2 4.4Å; M56-V83 HydrophobicContact SD-CG2 4.42Å; S79-V83 WeakPolarHBondContact O-CB 3.19Å; S79-V83 VanDerWaalsContact O-CG2 3.25Å; S79-V83 WeakPolarHBondContact O-CG2 3.28Å; S79-V83 PolarHBondContact O-N 2.9Å; F80-V83 PolarHBondContact O-N 3.07Å; V83-K86 PolarHBondContact O-N 3.45Å; V83-A87 WeakPolarHBondContact O-CB 3.46Å; V83-A87 PolarHBondContact O-N 3.04Å
84L94.4Very high91.5Very high121 Ų12168 Ų6863%0.63437%0.37SS*.Hα-helixtrans-62.5-47.1174.6-174.469.3000111.2F80 K86 A87 V88F80-L84 VanDerWaalsContact O-CB 3.31Å; F80-L84 WeakPolarHBondContact O-CB 3.49Å; F80-L84 PolarHBondContact O-N 2.76Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.81Å; L84-A87 PolarHBondContact O-N 3.22Å; L84-V88 WeakPolarHBondContact O-CG2 3.17Å; L84-V88 PolarHBondContact O-N 3Å
85G93.7Very high90.7Very high25 Ų2566.7 Ų66.726%0.25836%0.363SS..Hα-helixtrans-58-45.1176.200000112.2G81 L82 V88 V89G81-G85 PolarHBondContact O-N 2.85Å; L82-G85 PolarHBondContact O-N 2.89Å; G85-V88 PolarHBondContact O-N 2.76Å; G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 2.98Å
86K92.4Very high89.7Confident58 Ų5869.8 Ų69.825%0.25238%0.376SS..Hα-helixtrans-59.9-47.3174.6-179170.9173.3159.60111.6L49 T50 V53 L82 V83 L84 V88 V89 S90L49-K86 HydrophobicContact CB-CB 4.21Å; T50-K86 WeakPolarHBondContact OG1-CE 3.07Å; T50-K86 PolarHBondContact OG1-NZ 3.26Å; V53-K86 HydrophobicContact CB-CD 4.33Å; V53-K86 HydrophobicContact CG1-CD 4.47Å; V53-K86 HydrophobicContact CG2-CB 4.37Å; V53-K86 HydrophobicContact CG2-CD 3.95Å; L82-K86 WeakPolarHBondContact O-CB 3.48Å; L82-K86 PolarHBondContact O-N 3.04Å; V83-K86 PolarHBondContact O-N 3.45Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 2.81Å; K86-V88 VanDerWaalsContact C-N 3.32Å; K86-V88 PolarHBondContact O-N 2.95Å; K86-V89 PolarHBondContact O-N 3.17Å; K86-S90 WeakPolarHBondContact O-CB 3.29Å; K86-S90 PolarHBondContact O-N 3.26Å; K86-S90 PolarHBondContact O-OG 2.99Å; K86-S90 VanDerWaalsContact O-OG 3.11Å
87A92.6Very high88.5Confident57 Ų5767.6 Ų67.647%0.47136%0.364SS..Hα-helixtrans-58.9-43179.400000112.2V83 L84 Y91V83-A87 WeakPolarHBondContact O-CB 3.46Å; V83-A87 PolarHBondContact O-N 3.04Å; L84-A87 PolarHBondContact O-N 3.22Å; A87-Y91 VanDerWaalsContact O-CB 3.25Å; A87-Y91 WeakPolarHBondContact O-CB 3.31Å; A87-Y91 PolarHBondContact O-N 3.14Å
88V93.4Very high86.9Confident78 Ų7866 Ų6647%0.47335%0.354SS..Hα-helixtrans-64.9-47.8177.6173.70000111.4L84 G85 K86 Y91 I92L84-V88 WeakPolarHBondContact O-CG2 3.17Å; L84-V88 PolarHBondContact O-N 3Å; G85-V88 PolarHBondContact O-N 2.76Å; K86-V88 VanDerWaalsContact C-N 3.32Å; K86-V88 PolarHBondContact O-N 2.95Å; V88-Y91 PolarHBondContact O-N 3.45Å; V88-I92 HydrophobicContact CG1-CD1 4.08Å; V88-I92 WeakPolarHBondContact O-CG1 3.5Å; V88-I92 PolarHBondContact O-N 3.19Å; V88-I92 VanDerWaalsContact O-N 3.11Å
89V92Very high85.3Confident15 Ų1571.3 Ų71.39%0.09137%0.371CS..Hα-helixtrans-64.1-45.3-179.7172.80000111L45 D46 L49 G85 K86 Y91 I92 F93L45-V89 HydrophobicContact CB-CG1 4.39Å; L45-V89 HydrophobicContact CD2-CG1 4.22Å; L45-V89 HydrophobicContact CD2-CG2 3.53Å; L45-V89 HydrophobicContact CG-CG1 4.24Å; L45-V89 HydrophobicContact CG-CG2 4.02Å; D46-V89 HydrophobicContact CB-CG1 3.92Å; L49-V89 HydrophobicContact CD1-CB 3.92Å; L49-V89 HydrophobicContact CD1-CG1 4.42Å; L49-V89 HydrophobicContact CD1-CG2 3.57Å; G85-V89 WeakPolarHBondContact O-CG2 3.31Å; G85-V89 PolarHBondContact O-N 2.98Å; K86-V89 PolarHBondContact O-N 3.17Å; V89-Y91 VanDerWaalsContact C-N 3.33Å; V89-Y91 PolarHBondContact O-N 3.23Å; V89-I92 PolarHBondContact O-N 3.5Å; V89-F93 VanDerWaalsContact O-CB 3.26Å; V89-F93 WeakPolarHBondContact O-CB 3.33Å; V89-F93 PolarHBondContact O-N 2.86Å
90S86.8Confident83.4Confident17 Ų1772 Ų7212%0.11937%0.373CS..Hα-helixtrans-61.5-40.2175.7-660000111.9D46 K86 I92 F93 Y94D46-S90 PolarHBondContact OD1-OG 3.48Å; K86-S90 WeakPolarHBondContact O-CB 3.29Å; K86-S90 PolarHBondContact O-N 3.26Å; K86-S90 PolarHBondContact O-OG 2.99Å; K86-S90 VanDerWaalsContact O-OG 3.11Å; S90-I92 VanDerWaalsContact C-N 3.29Å; S90-I92 PolarHBondContact O-N 3.25Å; S90-F93 PolarHBondContact O-N 3.42Å; S90-Y94 WeakPolarHBondContact O-CD2 3.46Å; S90-Y94 PolarHBondContact O-N 2.89Å; S90-Y94 VanDerWaalsContact O-N 3.13Å
91Y87.8Confident81.5Confident188 Ų18865.5 Ų65.574%0.73735%0.346SS*.Hα-helixtrans-61.2-35.7176.5179.9-96.3000112.8A87 V88 V89 P95A87-Y91 VanDerWaalsContact O-CB 3.25Å; A87-Y91 WeakPolarHBondContact O-CB 3.31Å; A87-Y91 PolarHBondContact O-N 3.14Å; V88-Y91 PolarHBondContact O-N 3.45Å; V89-Y91 VanDerWaalsContact C-N 3.33Å; V89-Y91 PolarHBondContact O-N 3.23Å; Y91-P95 WeakPolarHBondContact O-CD 3.37Å; Y91-P95 VanDerWaalsContact O-CG 3.22Å; Y91-P95 WeakPolarHBondContact O-CG 3.43Å
92I86.4Confident79.6Confident66 Ų6665 Ų6534%0.33833%0.334SS..Hα-helixtrans-78.9-42.3176-61.2166.8000110.5L42 V88 V89 S90 P95 F96L42-I92 HydrophobicContact CD1-CG2 3.8Å; L42-I92 HydrophobicContact CD2-CG2 4.39Å; V88-I92 HydrophobicContact CG1-CD1 4.08Å; V88-I92 WeakPolarHBondContact O-CG1 3.5Å; V88-I92 PolarHBondContact O-N 3.19Å; V88-I92 VanDerWaalsContact O-N 3.11Å; V89-I92 PolarHBondContact O-N 3.5Å; S90-I92 VanDerWaalsContact C-N 3.29Å; S90-I92 PolarHBondContact O-N 3.25Å; I92-P95 WeakPolarHBondContact O-CD 3.33Å; I92-F96 HydrophobicContact CG2-CD2 3.92Å; I92-F96 HydrophobicContact CG2-CE2 3.98Å; I92-F96 WeakPolarHBondContact O-CD2 3.27Å; I92-F96 PolarHBondContact O-N 3.11Å
93F82.8Confident77.7Confident18 Ų1867.8 Ų67.88%0.07936%0.356CS..Hα-helixtrans-63.9-47.6-173.5177.3-108.5000113.2V39 L42 V89 S90 F96 Q97V39-F93 HydrophobicContact CG1-CE2 3.91Å; V39-F93 WeakPolarHBondContact O-CE2 3.24Å; L42-F93 HydrophobicContact CB-CD2 3.87Å; V89-F93 VanDerWaalsContact O-CB 3.26Å; V89-F93 WeakPolarHBondContact O-CB 3.33Å; V89-F93 PolarHBondContact O-N 2.86Å; S90-F93 PolarHBondContact O-N 3.42Å; F93-F96 PolarHBondContact O-N 3.36Å; F93-Q97 WeakPolarHBondContact O-CB 3.38Å; F93-Q97 PolarHBondContact O-N 3.14Å
94Y78.3Confident75.9Confident144 Ų14466.5 Ų66.557%0.56535%0.35SS*.Hα-helixtrans-64-44.7-173.9-67.3-59.1000114.2S90 Q97 G98S90-Y94 WeakPolarHBondContact O-CD2 3.46Å; S90-Y94 PolarHBondContact O-N 2.89Å; S90-Y94 VanDerWaalsContact O-N 3.13Å; Y94-Q97 PolarHBondContact O-N 3.22Å; Y94-G98 PolarHBondContact O-N 3.4Å; Y94-G98 VanDerWaalsContact O-N 3.13Å
95P76.6Confident74Confident62 Ų6261.1 Ų61.140%0.40332%0.322SS..Hα-helixtrans-65.3-36.7174.7-23.234.9000113.2Y91 I92 G98 R99Y91-P95 WeakPolarHBondContact O-CD 3.37Å; Y91-P95 VanDerWaalsContact O-CG 3.22Å; Y91-P95 WeakPolarHBondContact O-CG 3.43Å; I92-P95 WeakPolarHBondContact O-CD 3.33Å; P95-G98 PolarHBondContact O-N 2.84Å; P95-R99 WeakPolarHBondContact O-CB 3.4Å; P95-R99 PolarHBondContact O-N 2.63Å
96F73Confident72.2Confident78 Ų7861.2 Ų61.234%0.34232%0.319SS..Hα-helixtrans-66.8-40.5176.7-90.9-97000111.3L35 L38 V39 I92 F93 G98 Q100L35-F96 HydrophobicContact CD2-CE1 4.2Å; L38-F96 HydrophobicContact CD2-CD1 4.05Å; L38-F96 HydrophobicContact CD2-CE1 3.67Å; L38-F96 HydrophobicContact CD2-CZ 4.34Å; V39-F96 HydrophobicContact CG2-CB 3.98Å; I92-F96 HydrophobicContact CG2-CD2 3.92Å; I92-F96 HydrophobicContact CG2-CE2 3.98Å; I92-F96 WeakPolarHBondContact O-CD2 3.27Å; I92-F96 PolarHBondContact O-N 3.11Å; F93-F96 PolarHBondContact O-N 3.36Å; F96-G98 VanDerWaalsContact C-N 3.26Å; F96-G98 PolarHBondContact O-N 3.23Å; F96-Q100 WeakPolarHBondContact O-CB 3.32Å; F96-Q100 PolarHBondContact O-N 3.34Å; F96-Q100 VanDerWaalsContact O-N 3.16Å
97Q69.3Low70.4Confident19 Ų1964 Ų649%0.08934%0.336CS..Hα-helixtrans-59-37.1172.6-171177.810.200112.2F93 Y94 S136 Q137 S140F93-Q97 WeakPolarHBondContact O-CB 3.38Å; F93-Q97 PolarHBondContact O-N 3.14Å; Y94-Q97 PolarHBondContact O-N 3.22Å; Q97-S136 WeakPolarHBondContact CG-O 3.19Å; Q97-S136 PolarHBondContact NE2-O 2.93Å; Q97-S136 WeakPolarHBondContact O-CB 3.3Å; Q97-S136 PolarHBondContact O-OG 2.85Å; Q97-Q137 PolarHBondContact NE2-O 3.32Å; Q97-S140 PolarHBondContact NE2-OG 3.12Å
98G61.9Low68.6Low33 Ų3366.9 Ų66.934%0.3434%0.338SS..Hα-helixtrans-77.6-48177.200000114.4Y94 P95 F96Y94-G98 PolarHBondContact O-N 3.4Å; Y94-G98 VanDerWaalsContact O-N 3.13Å; P95-G98 PolarHBondContact O-N 2.84Å; F96-G98 VanDerWaalsContact C-N 3.26Å; F96-G98 PolarHBondContact O-N 3.23Å
99R60.2Low66.8Low206 Ų20664.1 Ų64.178%0.77732%0.321SS*.Hα-helixtrans-78.2-26.2-170.5-74.5-173.3176.7-174.3-0.3114.3P95 S101P95-R99 WeakPolarHBondContact O-CB 3.4Å; P95-R99 PolarHBondContact O-N 2.63Å; R99-S101 PolarHBondContact O-N 3.02Å
100Q54Low65Low26 Ų2665 Ų6512%0.12133%0.327CS..THydrogen-bonded Turntrans-67-23-172.6-165.3-170.2-22.700113.9T32 L35 F96T32-Q100 PolarHBondContact O-NE2 3.18Å; L35-Q100 VanDerWaalsContact C-CD 3.4Å; L35-Q100 HydrophobicContact CB-CG 3.49Å; L35-Q100 VanDerWaalsContact CB-CG 3.49Å; L35-Q100 HydrophobicContact CD1-CG 3.92Å; L35-Q100 HydrophobicContact CG-CG 4.28Å; L35-Q100 PolarHBondContact O-NE2 3.36Å; L35-Q100 PolarHBondContact O-OE1 3.24Å; L35-Q100 VanDerWaalsContact O-OE1 3.12Å; F96-Q100 WeakPolarHBondContact O-CB 3.32Å; F96-Q100 PolarHBondContact O-N 3.34Å; F96-Q100 VanDerWaalsContact O-N 3.16Å
101S54Low63.2Low9 Ų971.1 Ų71.16%0.06335%0.352CS..THydrogen-bonded Turntrans-101-19.1-172.7-62.80000115R99 C105 C132 S136R99-S101 PolarHBondContact O-N 3.02Å; S101-C105 WeakPolarHBondContact O-CB 3.48Å; S101-C132 WeakPolarHBondContact CB-O 3.44Å; S101-C132 WeakPolarHBondContact O-CB 3.46Å; S101-S136 WeakPolarHBondContact OG-CA 3.29Å; S101-S136 WeakPolarHBondContact OG-CB 3.08Å
102V55.3Low61.4Low37 Ų3765.9 Ų65.922%0.22434%0.341CS..THydrogen-bonded Turntrans-88.5-47.5-166.9-170.20000112.8S106 E129 N133V102-S106 WeakPolarHBondContact O-CB 3.35Å; V102-S106 PolarHBondContact O-N 2.99Å; V102-S106 PolarHBondContact O-OG 3.11Å; V102-E129 HydrophobicContact CG1-CG 4Å; V102-N133 WeakPolarHBondContact CG2-OD1 3.44Å
103S54.1Low59.7Low90 Ų9065 Ų6563%0.62934%0.336SS*.Hα-helixtrans-80.5-44.9-171.357.90000113.6
104S54.6Low57.9Low50 Ų5071 Ų7135%0.3536%0.362SS..Hα-helixtrans-80.7-24.3-177.3-66.60000113.6
105C55.6Low56.4Low7 Ų770.6 Ų70.65%0.04737%0.369CS..Hα-helixtrans-88.5-38.6-176.6-1500000112.1M24 S101 L107 K108 L109 C132M24-C105 HydrophobicContact CE-CB 4.39Å; M24-C105 WeakPolarHBondContact CE-SG 3.38Å; M24-C105 VanDerWaalsContact CG-SG 3.54Å; S101-C105 WeakPolarHBondContact O-CB 3.48Å; C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 3.47Å; C105-K108 PolarHBondContact O-N 3.12Å; C105-L109 WeakPolarHBondContact O-CD1 3.44Å; C105-L109 PolarHBondContact O-N 2.95Å; C105-L109 WeakPolarHBondContact SG-CD1 3.43Å; C105-C132 HydrophobicContact CB-CB 4.5Å
106S55.9Low54.9Low27 Ų2772.6 Ų72.619%0.18937%0.373CS..Hα-helixtrans-61.1-41.7-179.3-56.10000112V102 K108 C110V102-S106 WeakPolarHBondContact O-CB 3.35Å; V102-S106 PolarHBondContact O-N 2.99Å; V102-S106 PolarHBondContact O-OG 3.11Å; S106-K108 PolarHBondContact O-N 2.95Å; S106-C110 WeakPolarHBondContact O-CB 3.5Å; S106-C110 PolarHBondContact O-N 3.47Å; S106-C110 PolarHBondContact O-SG 3.35Å
107L53.9Low53.8Low117 Ų11776 Ų7661%0.61339%0.394SS*.Hα-helixtrans-64.2-42.3178.1-132.596.4000111.8C105 C110 F111C105-L107 VanDerWaalsContact C-N 3.33Å; C105-L107 PolarHBondContact O-N 3.47Å; L107-C110 PolarHBondContact O-N 3.25Å; L107-F111 HydrophobicContact CD2-CE2 4.15Å; L107-F111 HydrophobicContact CG-CE2 4.35Å; L107-F111 VanDerWaalsContact O-CD2 3.31Å; L107-F111 WeakPolarHBondContact O-CD2 3.39Å; L107-F111 PolarHBondContact O-N 3.46Å
108K55.2Low52.7Low117 Ų11784.8 Ų84.851%0.50943%0.428SS..Hα-helixtrans-74.6-28.4-176.6-72.7-176.5-179.8179.10114C105 S106 P112C105-K108 PolarHBondContact O-N 3.12Å; S106-K108 PolarHBondContact O-N 2.95Å; K108-P112 WeakPolarHBondContact O-CD 3.46Å
109L55.6Low52Low21 Ų2185.3 Ų85.311%0.1142%0.421CS..Hα-helixtrans-79.4-32.5172.7-91.6108.1000112.6I23 C105 P112 L113 V128I23-L109 HydrophobicContact CG2-CD1 4.33Å; I23-L109 HydrophobicContact CG2-CG 4.18Å; C105-L109 WeakPolarHBondContact O-CD1 3.44Å; C105-L109 PolarHBondContact O-N 2.95Å; C105-L109 WeakPolarHBondContact SG-CD1 3.43Å; L109-P112 WeakPolarHBondContact O-CD 3.49Å; L109-L113 WeakPolarHBondContact O-CD1 3.47Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; L109-V128 HydrophobicContact CB-CG1 3.75Å; L109-V128 HydrophobicContact CB-CG2 4.23Å
110C53.4Low51.6Low32 Ų3278.2 Ų78.222%0.21640%0.403CS..Hα-helixtrans-67.4-37.8-179.2-79.70000113.6S106 L107 L113 K114S106-C110 WeakPolarHBondContact O-CB 3.5Å; S106-C110 PolarHBondContact O-N 3.47Å; S106-C110 PolarHBondContact O-SG 3.35Å; L107-C110 PolarHBondContact O-N 3.25Å; C110-L113 PolarHBondContact O-N 2.71Å; C110-K114 PolarHBondContact O-N 3.21Å; C110-K114 VanDerWaalsContact O-N 3.09Å
111F50.4Low51.5Low146 Ų14682.9 Ų82.964%0.6443%0.429SS*.Hα-helixtrans-63.2-46.8-175-92.1-77.7000115.2L107L107-F111 HydrophobicContact CD2-CE2 4.15Å; L107-F111 HydrophobicContact CG-CE2 4.35Å; L107-F111 VanDerWaalsContact O-CD2 3.31Å; L107-F111 WeakPolarHBondContact O-CD2 3.39Å; L107-F111 PolarHBondContact O-N 3.46Å
112P49.3Very low51.4Low79 Ų7989 Ų8951%0.51346%0.457SS..Hα-helixtrans-75.5-27.9177.926.3-31.9000113.2K108 L109 I115K108-P112 WeakPolarHBondContact O-CD 3.46Å; L109-P112 WeakPolarHBondContact O-CD 3.49Å; P112-I115 PolarHBondContact O-N 2.99Å
113L49.4Very low51.5Low46 Ų4694.1 Ų94.124%0.24147%0.472CS..Hα-helixtrans-76.2-25.9179.7-71.2172.2000113.1L109 C110 I115 Q116 V128L109-L113 WeakPolarHBondContact O-CD1 3.47Å; L109-L113 WeakPolarHBondContact O-CG 3.38Å; C110-L113 PolarHBondContact O-N 2.71Å; L113-I115 PolarHBondContact O-N 3.42Å; L113-Q116 PolarHBondContact O-N 2.95Å; L113-V128 HydrophobicContact CD1-CG2 4.27Å
114K46.8Very low51.8Low145 Ų14590.6 Ų90.663%0.6345%0.446SS*.THydrogen-bonded Turntrans-65.3-16.9173.9-102-172.7172.1-170.20114.2C110C110-K114 PolarHBondContact O-N 3.21Å; C110-K114 VanDerWaalsContact O-N 3.09Å
115I45.8Very low52.1Low135 Ų13591 Ų9169%0.69245%0.452SS*.THydrogen-bonded Turntrans-84.7-19.2-176.8-60.1172.1000111.4P112 L113 N117P112-I115 PolarHBondContact O-N 2.99Å; L113-I115 PolarHBondContact O-N 3.42Å; I115-N117 PolarHBondContact O-N 3.27Å
116Q45.8Very low52.6Low104 Ų10494.7 Ų94.749%0.48647%0.469SS..SBendtrans-91.992.5172.2-79.8179.8-43.800110L113 Y118L113-Q116 PolarHBondContact O-N 2.95Å; Q116-Y118 PolarHBondContact O-N 3.05Å
117N48.8Very low53.1Low150 Ų15094 Ų9480%0.80246%0.463SS*.THydrogen-bonded Turntrans-55.433.2-172.4-87.4-18.8000118.7I115I115-N117 PolarHBondContact O-N 3.27Å
118Y46.7Very low53.8Low203 Ų20388.8 Ų88.880%0.79644%0.436SS*.THydrogen-bonded Turntrans-125.93-174.2-90.3-85.2000116.5Q116Q116-Y118 PolarHBondContact O-N 3.05Å
119F46.4Very low54.6Low44 Ų4487.8 Ų87.819%0.19343%0.433CS..  trans-111.8134.7-174.2-65.2-75.2000113.5D121 I124F119-D121 PolarHBondContact O-N 3.32Å; F119-I124 HydrophobicContact CB-CD1 3.88Å; F119-I124 HydrophobicContact CB-CG1 3.96Å
120S51.8Low55.3Low58 Ų5890.7 Ų90.741%0.40644%0.443SS..  trans-63.3125.9168.261.30000110.5Q122 R123S120-Q122 PolarHBondContact O-N 3.22Å; S120-R123 WeakPolarHBondContact O-CB 3.39Å; S120-R123 PolarHBondContact O-N 3.03Å; S120-R123 WeakPolarHBondContact OG-CD 3.49Å; S120-R123 WeakPolarHBondContact OG-CG 3.44Å; S120-R123 PolarHBondContact OG-NE 2.8Å; S120-R123 VanDerWaalsContact OG-NE 3.15Å
121D53.6Low56.2Low124 Ų12490 Ų9066%0.66344%0.438SS*.Hα-helixtrans-47.7-37.9-172.3-69.9-32.9000115.5F119 R123 I124 A125F119-D121 PolarHBondContact O-N 3.32Å; D121-R123 PolarHBondContact O-N 3.34Å; D121-I124 PolarHBondContact O-N 3.28Å; D121-A125 PolarHBondContact O-N 3.27Å
122Q51.9Low57.3Low138 Ų13883.2 Ų83.265%0.64541%0.408SS*.Hα-helixtrans-62.3-31.9179.6-168174.816.100112.6S120 Q126S120-Q122 PolarHBondContact O-N 3.22Å; Q122-Q126 VanDerWaalsContact O-CB 3.28Å; Q122-Q126 WeakPolarHBondContact O-CB 3.33Å; Q122-Q126 PolarHBondContact O-N 3.47Å
123R56.1Low58.5Low143 Ų14381.9 Ų81.954%0.5440%0.396SS..Hα-helixtrans-70.8-43.3-179.3-67.4178.1-170.1177.63.1111.1S120 D121 D127S120-R123 WeakPolarHBondContact O-CB 3.39Å; S120-R123 PolarHBondContact O-N 3.03Å; S120-R123 WeakPolarHBondContact OG-CD 3.49Å; S120-R123 WeakPolarHBondContact OG-CG 3.44Å; S120-R123 PolarHBondContact OG-NE 2.8Å; S120-R123 VanDerWaalsContact OG-NE 3.15Å; D121-R123 PolarHBondContact O-N 3.34Å; R123-D127 WeakPolarHBondContact O-CB 3.36Å; R123-D127 PolarHBondContact O-N 3.39Å
124I59.8Low59.8Low16 Ų1680.5 Ų80.58%0.08239%0.39CS..Hα-helixtrans-65.6-52.8-179.6-60.3176.1000110.3F119 D121 Q126 V128F119-I124 HydrophobicContact CB-CD1 3.88Å; F119-I124 HydrophobicContact CB-CG1 3.96Å; D121-I124 PolarHBondContact O-N 3.28Å; I124-Q126 PolarHBondContact O-N 2.83Å; I124-V128 HydrophobicContact CG2-CG2 4.01Å; I124-V128 WeakPolarHBondContact O-CB 3.24Å; I124-V128 WeakPolarHBondContact O-CG2 3.27Å; I124-V128 PolarHBondContact O-N 3.36Å
125A61.7Low61.3Low58 Ų5873.8 Ų73.848%0.47936%0.361SS..Hα-helixtrans-61.1-48.2-175.100000111.9D121 E129D121-A125 PolarHBondContact O-N 3.27Å; A125-E129 VanDerWaalsContact O-CB 3.31Å; A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 3.07Å
126Q65.8Low62.8Low86 Ų8667.6 Ų67.640%0.40233%0.329SS..Hα-helixtrans-73.5-42.1-177.1-169.9173.610.200112.6Q122 I124 E129 R130Q122-Q126 VanDerWaalsContact O-CB 3.28Å; Q122-Q126 WeakPolarHBondContact O-CB 3.33Å; Q122-Q126 PolarHBondContact O-N 3.47Å; I124-Q126 PolarHBondContact O-N 2.83Å; Q126-E129 PolarHBondContact O-N 3.08Å; Q126-R130 VanDerWaalsContact O-CB 3.24Å; Q126-R130 WeakPolarHBondContact O-CB 3.44Å; Q126-R130 PolarHBondContact O-N 2.86Å
127D67Low64.2Low13 Ų1366.3 Ų66.37%0.0732%0.323CS..Hα-helixtrans-71.5-35.7-179.4-68.6-29.2000111.1R123 T131 T319R123-D127 WeakPolarHBondContact O-CB 3.36Å; R123-D127 PolarHBondContact O-N 3.39Å; D127-T131 WeakPolarHBondContact O-CB 3.16Å; D127-T131 PolarHBondContact O-N 3.26Å; D127-T131 PolarHBondContact O-OG1 3.46Å; D127-T319 WeakPolarHBondContact OD1-CG2 3.39Å
128V68.6Low65.8Low7 Ų759.2 Ų59.24%0.04229%0.286CS..Hα-helixtrans-64.2-48.1172.8171.10000110.1L109 L113 I124 R130 T131 C132L109-V128 HydrophobicContact CB-CG1 3.75Å; L109-V128 HydrophobicContact CB-CG2 4.23Å; L113-V128 HydrophobicContact CD1-CG2 4.27Å; I124-V128 HydrophobicContact CG2-CG2 4.01Å; I124-V128 WeakPolarHBondContact O-CB 3.24Å; I124-V128 WeakPolarHBondContact O-CG2 3.27Å; I124-V128 PolarHBondContact O-N 3.36Å; V128-R130 PolarHBondContact O-N 3.32Å; V128-T131 PolarHBondContact O-N 2.88Å; V128-C132 WeakPolarHBondContact O-CB 3.45Å; V128-C132 PolarHBondContact O-N 3.07Å; V128-C132 PolarHBondContact O-SG 2.91Å
129E71.6Confident67.4Low95 Ų9550.5 Ų50.544%0.44425%0.252SS..Hα-helixtrans-59.6-47.9177.6-174.6-174.9172.300111.4V102 A125 Q126 T131 C132 N133V102-E129 HydrophobicContact CG1-CG 4Å; A125-E129 VanDerWaalsContact O-CB 3.31Å; A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 3.07Å; Q126-E129 PolarHBondContact O-N 3.08Å; E129-T131 PolarHBondContact O-N 3.21Å; E129-C132 PolarHBondContact O-N 3.48Å; E129-N133 WeakPolarHBondContact O-CB 3.29Å; E129-N133 PolarHBondContact O-N 2.92Å; E129-N133 PolarHBondContact O-ND2 3.41Å
130R71.4Confident69.2Low83 Ų8348.6 Ų48.631%0.31324%0.244SC..Hα-helixtrans-62.2-43.7178.4-174.4169.3178.7178.43.1111.4Q126 V128 N133 V134 E194 T319Q126-R130 VanDerWaalsContact O-CB 3.24Å; Q126-R130 WeakPolarHBondContact O-CB 3.44Å; Q126-R130 PolarHBondContact O-N 2.86Å; V128-R130 PolarHBondContact O-N 3.32Å; R130-N133 PolarHBondContact O-N 2.9Å; R130-V134 VanDerWaalsContact O-CG2 3.28Å; R130-V134 WeakPolarHBondContact O-CG2 3.46Å; R130-V134 PolarHBondContact O-N 3.42Å; R130-E194 IonicContact NH1-OE1 3.39Å; R130-T319 HydrophobicContact CG-CG2 4.35Å
131T71.1Confident70.7Confident18 Ų1849.7 Ų49.711%0.1124%0.241CC..Hα-helixtrans-62.2-44.8176.5-60.10000110.7L20 D127 V128 E129 V134 F135 M316 T319L20-T131 HydrophobicContact CD1-CG2 4.48Å; D127-T131 WeakPolarHBondContact O-CB 3.16Å; D127-T131 PolarHBondContact O-N 3.26Å; D127-T131 PolarHBondContact O-OG1 3.46Å; V128-T131 PolarHBondContact O-N 2.88Å; E129-T131 PolarHBondContact O-N 3.21Å; T131-V134 PolarHBondContact O-N 3.14Å; T131-F135 WeakPolarHBondContact O-CB 3.49Å; T131-F135 PolarHBondContact O-N 2.89Å; T131-M316 HydrophobicContact CG2-CE 4.12Å; T131-M316 HydrophobicContact CG2-CG 4.24Å; T131-M316 HydrophobicContact CG2-SD 4.43Å; T131-M316 WeakPolarHBondContact O-CE 3.22Å; T131-T319 PolarHBondContact OG1-OG1 3.34Å
132C73Confident72.1Confident3 Ų344.9 Ų44.92%0.0222%0.216CC..Hα-helixtrans-63-44.2177.5-69.60000112S101 C105 V128 E129 F135 S136S101-C132 WeakPolarHBondContact CB-O 3.44Å; S101-C132 WeakPolarHBondContact O-CB 3.46Å; C105-C132 HydrophobicContact CB-CB 4.5Å; V128-C132 WeakPolarHBondContact O-CB 3.45Å; V128-C132 PolarHBondContact O-N 3.07Å; V128-C132 PolarHBondContact O-SG 2.91Å; E129-C132 PolarHBondContact O-N 3.48Å; C132-F135 PolarHBondContact O-N 3.14Å; C132-S136 WeakPolarHBondContact O-CB 3.16Å; C132-S136 PolarHBondContact O-N 2.94Å
133N75.9Confident73.7Confident50 Ų5040.5 Ų40.527%0.26720%0.199SC..Hα-helixtrans-60.7-47.3176.1-85.3-42.4000112.3V102 E129 R130 S136 Q137V102-N133 WeakPolarHBondContact CG2-OD1 3.44Å; E129-N133 WeakPolarHBondContact O-CB 3.29Å; E129-N133 PolarHBondContact O-N 2.92Å; E129-N133 PolarHBondContact O-ND2 3.41Å; R130-N133 PolarHBondContact O-N 2.9Å; N133-S136 PolarHBondContact O-N 3.49Å; N133-S136 PolarHBondContact O-OG 2.88Å; N133-Q137 WeakPolarHBondContact O-CG 3.41Å; N133-Q137 PolarHBondContact O-N 2.94Å
134V76.3Confident75.1Confident17 Ų1735.2 Ų35.210%0.10318%0.181CC..Hα-helixtrans-68.6-41.1179.3178.20000110.3R130 T131 S136 Q137 I138 K312 M316R130-V134 VanDerWaalsContact O-CG2 3.28Å; R130-V134 WeakPolarHBondContact O-CG2 3.46Å; R130-V134 PolarHBondContact O-N 3.42Å; T131-V134 PolarHBondContact O-N 3.14Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 3.21Å; V134-Q137 PolarHBondContact O-N 3.42Å; V134-I138 HydrophobicContact CG1-CD1 3.44Å; V134-I138 VanDerWaalsContact CG1-CD1 3.44Å; V134-I138 HydrophobicContact CG1-CG1 4.19Å; V134-I138 WeakPolarHBondContact O-CG1 3.38Å; V134-I138 PolarHBondContact O-N 2.78Å; V134-I138 VanDerWaalsContact O-N 3.12Å; V134-K312 HydrophobicContact CG1-CB 4.23Å; V134-K312 WeakPolarHBondContact CG1-O 3.41Å; V134-M316 HydrophobicContact CB-CB 4.42Å; V134-M316 HydrophobicContact CB-CE 3.81Å; V134-M316 HydrophobicContact CG1-CB 3.98Å; V134-M316 HydrophobicContact CG1-CE 3.77Å
135F78.2Confident76.5Confident4 Ų435 Ų352%0.01818%0.18CC..Hα-helixtrans-58.2-45.2176.7-177.2-88.8000111.6F17 L20 L21 M24 F25 T131 C132 Q137 I138 F139 M316F17-F135 HydrophobicContact CD2-CD2 4.18Å; F17-F135 AromaticContact CD2-CE2 3.83Å; F17-F135 HydrophobicContact CD2-CE2 3.83Å; F17-F135 AromaticContact CE2-CD2 3.73Å; F17-F135 HydrophobicContact CE2-CD2 3.73Å; F17-F135 AromaticContact CE2-CE2 3.28Å; F17-F135 HydrophobicContact CE2-CE2 3.28Å; F17-F135 HydrophobicContact CE2-CZ 4.15Å; F17-F135 AromaticContact CZ-CE2 3.78Å; F17-F135 HydrophobicContact CZ-CE2 3.78Å; F17-F135 HydrophobicContact CZ-CZ 4.23Å; L20-F135 HydrophobicContact CB-CE2 4.4Å; L21-F135 HydrophobicContact CD2-CE2 4.38Å; L21-F135 HydrophobicContact CD2-CZ 3.73Å; L21-F135 HydrophobicContact CG-CZ 4.39Å; M24-F135 HydrophobicContact CE-CD1 3.41Å; M24-F135 VanDerWaalsContact CE-CD1 3.41Å; M24-F135 HydrophobicContact CE-CE1 3.42Å; M24-F135 VanDerWaalsContact CE-CE1 3.42Å; M24-F135 HydrophobicContact CE-CG 4.33Å; M24-F135 HydrophobicContact CE-CZ 4.33Å; M24-F135 HydrophobicContact SD-CD1 3.39Å; M24-F135 WeakPolarHBondContact SD-CD1 3.46Å; M24-F135 HydrophobicContact SD-CD2 4.14Å; M24-F135 HydrophobicContact SD-CE1 3.34Å; M24-F135 WeakPolarHBondContact SD-CE1 3.43Å; M24-F135 HydrophobicContact SD-CE2 4.09Å; M24-F135 HydrophobicContact SD-CG 3.81Å; M24-F135 HydrophobicContact SD-CZ 3.71Å; F25-F135 HydrophobicContact CE2-CE1 4.49Å; F25-F135 HydrophobicContact CE2-CZ 4.49Å; T131-F135 WeakPolarHBondContact O-CB 3.49Å; T131-F135 PolarHBondContact O-N 2.89Å; C132-F135 PolarHBondContact O-N 3.14Å; F135-Q137 VanDerWaalsContact C-N 3.28Å; F135-Q137 PolarHBondContact O-N 3.26Å; F135-I138 PolarHBondContact O-N 3.09Å; F135-I138 VanDerWaalsContact O-N 3.12Å; F135-F139 HydrophobicContact CD1-CB 4.24Å; F135-F139 HydrophobicContact CE1-CB 3.86Å; F135-F139 AromaticContact CE1-CD2 3.89Å; F135-F139 HydrophobicContact CE1-CD2 3.89Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 HydrophobicContact CZ-CB 4.24Å; F135-F139 AromaticContact CZ-CD2 3.73Å; F135-F139 HydrophobicContact CZ-CD2 3.73Å; F135-F139 HydrophobicContact CZ-CG 4.3Å; F135-F139 VanDerWaalsContact O-CB 3.29Å; F135-F139 WeakPolarHBondContact O-CB 3.27Å; F135-F139 PolarHBondContact O-N 2.71Å; F135-M316 HydrophobicContact CB-CE 3.77Å; F135-M316 VanDerWaalsContact N-CE 3.32Å
136S76.9Confident77.8Confident5 Ų536 Ų364%0.03518%0.182CC..Hα-helixtrans-57.2-41.3178.6104.30000112.7Q97 S101 C132 N133 V134 I138Q97-S136 WeakPolarHBondContact CG-O 3.19Å; Q97-S136 PolarHBondContact NE2-O 2.93Å; Q97-S136 WeakPolarHBondContact O-CB 3.3Å; Q97-S136 PolarHBondContact O-OG 2.85Å; S101-S136 WeakPolarHBondContact OG-CA 3.29Å; S101-S136 WeakPolarHBondContact OG-CB 3.08Å; C132-S136 WeakPolarHBondContact O-CB 3.16Å; C132-S136 PolarHBondContact O-N 2.94Å; N133-S136 PolarHBondContact O-N 3.49Å; N133-S136 PolarHBondContact O-OG 2.88Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 3.21Å; S136-I138 VanDerWaalsContact C-N 3.33Å; S136-I138 PolarHBondContact O-N 3.47Å
137Q76.6Confident79.1Confident77 Ų7738.7 Ų38.736%0.3619%0.193SC..Hα-helixtrans-73-27.3-179.7-67.3179.323.200112.9Q97 N133 V134 F135Q97-Q137 PolarHBondContact NE2-O 3.32Å; N133-Q137 WeakPolarHBondContact O-CG 3.41Å; N133-Q137 PolarHBondContact O-N 2.94Å; V134-Q137 PolarHBondContact O-N 3.42Å; F135-Q137 VanDerWaalsContact C-N 3.28Å; F135-Q137 PolarHBondContact O-N 3.26Å
138I80.8Confident80.2Confident2 Ų239.1 Ų39.11%0.0120%0.195CC..Hα-helixtrans-94.9-33.6-175-63.2-180000111.5V134 F135 S136 S140 K141 V142 L309 K312 V313V134-I138 HydrophobicContact CG1-CD1 3.44Å; V134-I138 VanDerWaalsContact CG1-CD1 3.44Å; V134-I138 HydrophobicContact CG1-CG1 4.19Å; V134-I138 WeakPolarHBondContact O-CG1 3.38Å; V134-I138 PolarHBondContact O-N 2.78Å; V134-I138 VanDerWaalsContact O-N 3.12Å; F135-I138 PolarHBondContact O-N 3.09Å; F135-I138 VanDerWaalsContact O-N 3.12Å; S136-I138 VanDerWaalsContact C-N 3.33Å; S136-I138 PolarHBondContact O-N 3.47Å; I138-S140 PolarHBondContact O-N 3.48Å; I138-K141 PolarHBondContact O-N 3.48Å; I138-V142 HydrophobicContact CG2-CB 4.32Å; I138-V142 HydrophobicContact CG2-CG2 3.32Å; I138-V142 WeakPolarHBondContact O-CB 3.39Å; I138-V142 WeakPolarHBondContact O-CG2 3.44Å; I138-V142 PolarHBondContact O-N 3.11Å; I138-L309 HydrophobicContact CB-CD2 4.23Å; I138-L309 HydrophobicContact CG1-CD2 3.74Å; I138-L309 HydrophobicContact CG2-CD2 4.25Å; I138-K312 HydrophobicContact CD1-CB 3.89Å; I138-K312 HydrophobicContact CG1-CB 4.39Å; I138-V313 HydrophobicContact CD1-CG2 3.63Å
139F81.9Confident81.4Confident19 Ų1939.8 Ų39.88%0.08320%0.198CC..Hα-helixtrans-52.9-60-170.9172.2-104.2000113.5F17 L21 F25 A36 L40 F135 K141 V142 V143F17-F139 HydrophobicContact CZ-CD2 4.42Å; L21-F139 HydrophobicContact CD2-CD2 4.06Å; L21-F139 HydrophobicContact CD2-CE2 3.76Å; F25-F139 HydrophobicContact CE2-CE2 4.13Å; F25-F139 HydrophobicContact CE2-CZ 4.45Å; F25-F139 HydrophobicContact CZ-CZ 4.45Å; A36-F139 HydrophobicContact CB-CE1 3.97Å; A36-F139 HydrophobicContact CB-CZ 4.08Å; L40-F139 HydrophobicContact CD1-CE1 4.41Å; L40-F139 HydrophobicContact CD1-CZ 4.26Å; L40-F139 HydrophobicContact CD2-CE1 4.23Å; L40-F139 HydrophobicContact CG-CE1 4.17Å; F135-F139 HydrophobicContact CD1-CB 4.24Å; F135-F139 HydrophobicContact CE1-CB 3.86Å; F135-F139 AromaticContact CE1-CD2 3.89Å; F135-F139 HydrophobicContact CE1-CD2 3.89Å; F135-F139 HydrophobicContact CE1-CG 4.03Å; F135-F139 HydrophobicContact CZ-CB 4.24Å; F135-F139 AromaticContact CZ-CD2 3.73Å; F135-F139 HydrophobicContact CZ-CD2 3.73Å; F135-F139 HydrophobicContact CZ-CG 4.3Å; F135-F139 VanDerWaalsContact O-CB 3.29Å; F135-F139 WeakPolarHBondContact O-CB 3.27Å; F135-F139 PolarHBondContact O-N 2.71Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 3.14Å; F139-V142 PolarHBondContact O-N 3.3Å; F139-V143 HydrophobicContact CD2-CG2 4.19Å; F139-V143 HydrophobicContact CE2-CG2 3.93Å; F139-V143 HydrophobicContact CZ-CG2 4.27Å; F139-V143 VanDerWaalsContact O-CG2 3.27Å; F139-V143 WeakPolarHBondContact O-CG2 3.48Å; F139-V143 PolarHBondContact O-N 3.27Å
140S82.6Confident82.5Confident4 Ų438.1 Ų38.13%0.02820%0.201CC..Hα-helixtrans-63.5-38.2-177.561.40000111.7Q97 I138 M144Q97-S140 PolarHBondContact NE2-OG 3.12Å; I138-S140 PolarHBondContact O-N 3.48Å; S140-M144 VanDerWaalsContact O-CB 3.25Å; S140-M144 WeakPolarHBondContact O-CB 3.41Å; S140-M144 WeakPolarHBondContact O-CG 3.26Å; S140-M144 PolarHBondContact O-N 2.67Å
141K83.1Confident83.6Confident82 Ų8238.9 Ų38.936%0.35720%0.204SC..Hα-helixtrans-65.4-50.3179.1-65.4-177.8172.2-165.10111.2I138 F139 V143 M144 S145 T305 L309I138-K141 PolarHBondContact O-N 3.48Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 3.14Å; K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 PolarHBondContact O-N 2.83Å; K141-M144 PolarHBondContact O-N 3.06Å; K141-S145 VanDerWaalsContact O-CB 3.25Å; K141-S145 WeakPolarHBondContact O-CB 3.35Å; K141-S145 PolarHBondContact O-N 2.95Å; K141-S145 PolarHBondContact O-OG 3.22Å; K141-T305 HydrophobicContact CD-CG2 4.18Å; K141-L309 HydrophobicContact CB-CD1 3.83Å; K141-L309 HydrophobicContact CB-CD2 4.38Å; K141-L309 HydrophobicContact CD-CD1 4.31Å; K141-L309 HydrophobicContact CD-CD2 3.92Å; K141-L309 HydrophobicContact CD-CG 4.5Å
142V83.6Confident84.7Confident22 Ų2238.3 Ų38.313%0.13320%0.2CC..Hα-helixtrans-63.3-38.4179.8169.40000112F17 I138 F139 P146 L309F17-V142 HydrophobicContact CE1-CG1 4.43Å; F17-V142 HydrophobicContact CZ-CG1 4.47Å; I138-V142 HydrophobicContact CG2-CB 4.32Å; I138-V142 HydrophobicContact CG2-CG2 3.32Å; I138-V142 WeakPolarHBondContact O-CB 3.39Å; I138-V142 WeakPolarHBondContact O-CG2 3.44Å; I138-V142 PolarHBondContact O-N 3.11Å; F139-V142 PolarHBondContact O-N 3.3Å; V142-P146 WeakPolarHBondContact O-CD 3.31Å; V142-L309 HydrophobicContact CG2-CD1 4.42Å
143V85.2Confident85.8Confident46 Ų4639.3 Ų39.328%0.27921%0.206SC..Hα-helixtrans-69.1-40.8177.21750000111.4L40 F139 K141 F147L40-V143 HydrophobicContact CD1-CG1 4.12Å; L40-V143 HydrophobicContact CD2-CB 3.83Å; L40-V143 HydrophobicContact CD2-CG1 3.53Å; L40-V143 HydrophobicContact CD2-CG2 4.47Å; L40-V143 HydrophobicContact CG-CG1 4.5Å; F139-V143 HydrophobicContact CD2-CG2 4.19Å; F139-V143 HydrophobicContact CE2-CG2 3.93Å; F139-V143 HydrophobicContact CZ-CG2 4.27Å; F139-V143 VanDerWaalsContact O-CG2 3.27Å; F139-V143 WeakPolarHBondContact O-CG2 3.48Å; F139-V143 PolarHBondContact O-N 3.27Å; K141-V143 VanDerWaalsContact C-N 3.33Å; K141-V143 PolarHBondContact O-N 2.83Å; V143-F147 VanDerWaalsContact O-CD2 3.26Å; V143-F147 WeakPolarHBondContact O-CD2 3.44Å; V143-F147 WeakPolarHBondContact O-CE2 3.36Å
144M86Confident86.7Confident33 Ų3343.8 Ų43.816%0.16322%0.22CC..Hα-helixtrans-81.2-31-176.9-66.5-61.1-67.400113.6L40 Q47 S140 K141 F147 I148L40-M144 HydrophobicContact CD2-CG 4.46Å; L40-M144 HydrophobicContact CD2-SD 4.43Å; Q47-M144 HydrophobicContact CG-CE 4.11Å; S140-M144 VanDerWaalsContact O-CB 3.25Å; S140-M144 WeakPolarHBondContact O-CB 3.41Å; S140-M144 WeakPolarHBondContact O-CG 3.26Å; S140-M144 PolarHBondContact O-N 2.67Å; K141-M144 PolarHBondContact O-N 3.06Å; M144-F147 PolarHBondContact O-N 3.41Å; M144-F147 VanDerWaalsContact O-N 3.07Å; M144-I148 HydrophobicContact CB-CD1 3.91Å; M144-I148 WeakPolarHBondContact O-CG1 3.35Å; M144-I148 PolarHBondContact O-N 3.04Å
145S89Confident87.5Confident10 Ų1044.9 Ų44.97%0.0722%0.224CC..Hα-helixtrans-51.7-46.2-174.5-780000114.1K141 F147 I148 I149K141-S145 VanDerWaalsContact O-CB 3.25Å; K141-S145 WeakPolarHBondContact O-CB 3.35Å; K141-S145 PolarHBondContact O-N 2.95Å; K141-S145 PolarHBondContact O-OG 3.22Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.88Å; S145-I148 PolarHBondContact O-N 3.05Å; S145-I149 VanDerWaalsContact O-CB 3.31Å; S145-I149 WeakPolarHBondContact O-CB 3.13Å; S145-I149 WeakPolarHBondContact O-CD1 3.07Å; S145-I149 WeakPolarHBondContact O-CG1 3.04Å; S145-I149 PolarHBondContact O-N 3.02Å
146P90.3Very high88.2Confident79 Ų7944.7 Ų44.751%0.51322%0.223SC..Hα-helixtrans-59.3-40.7177.8-25.234.7000113.4V142 A150V142-P146 WeakPolarHBondContact O-CD 3.31Å; P146-A150 VanDerWaalsContact O-CB 3.23Å; P146-A150 WeakPolarHBondContact O-CB 3.36Å; P146-A150 PolarHBondContact O-N 3.17Å
147F91.8Very high89.1Confident144 Ų14451.5 Ų51.563%0.63225%0.248SC*.Hα-helixtrans-68.8-43.6179.3-60.7-81.4000111.5V143 M144 S145 A150 Y151V143-F147 VanDerWaalsContact O-CD2 3.26Å; V143-F147 WeakPolarHBondContact O-CD2 3.44Å; V143-F147 WeakPolarHBondContact O-CE2 3.36Å; M144-F147 PolarHBondContact O-N 3.41Å; M144-F147 VanDerWaalsContact O-N 3.07Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 2.88Å; F147-A150 PolarHBondContact O-N 2.97Å; F147-Y151 WeakPolarHBondContact O-CB 3.48Å; F147-Y151 PolarHBondContact O-N 3.45Å
148I91.5Very high89.8Confident22 Ų2253.3 Ų53.311%0.11326%0.256CS..Hα-helixtrans-62.2-51177.1-65.1167.3000109.8Q47 M144 S145 A150 Y151 Y152 Y298 S302Q47-I148 VanDerWaalsContact CD-CD1 3.48Å; Q47-I148 HydrophobicContact CG-CD1 3.94Å; Q47-I148 HydrophobicContact CG-CG1 4.27Å; M144-I148 HydrophobicContact CB-CD1 3.91Å; M144-I148 WeakPolarHBondContact O-CG1 3.35Å; M144-I148 PolarHBondContact O-N 3.04Å; S145-I148 PolarHBondContact O-N 3.05Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.28Å; I148-Y151 PolarHBondContact O-N 3.21Å; I148-Y152 HydrophobicContact CG2-CD2 3.73Å; I148-Y152 HydrophobicContact CG2-CE2 3.98Å; I148-Y152 WeakPolarHBondContact O-CD2 3.43Å; I148-Y152 PolarHBondContact O-N 3.41Å; I148-Y298 HydrophobicContact CG2-CD1 4.21Å; I148-Y298 HydrophobicContact CG2-CE1 3.73Å; I148-S302 WeakPolarHBondContact CG2-OG 3.12Å
149I93.4Very high90.1Very high20 Ų2053.6 Ų53.610%0.10326%0.258CS..Hα-helixtrans-60.4-45-179.6-69.4166.1000110.2S145 T153 L299 F303 L306S145-I149 VanDerWaalsContact O-CB 3.31Å; S145-I149 WeakPolarHBondContact O-CB 3.13Å; S145-I149 WeakPolarHBondContact O-CD1 3.07Å; S145-I149 WeakPolarHBondContact O-CG1 3.04Å; S145-I149 PolarHBondContact O-N 3.02Å; I149-T153 WeakPolarHBondContact O-CB 3.45Å; I149-T153 PolarHBondContact O-N 3.33Å; I149-T153 PolarHBondContact O-OG1 3.14Å; I149-L299 HydrophobicContact CB-CD1 4.47Å; I149-L299 HydrophobicContact CG2-CD1 4.16Å; I149-F303 HydrophobicContact CD1-CD1 4.25Å; I149-F303 HydrophobicContact CD1-CE1 3.95Å; I149-F303 HydrophobicContact CG1-CE1 4.42Å; I149-F303 HydrophobicContact CG2-CE1 4.17Å; I149-F303 HydrophobicContact CG2-CZ 3.91Å; I149-L306 HydrophobicContact CD1-CD1 3.55Å
150A94.4Very high90.4Very high61 Ų6152.8 Ų52.850%0.50426%0.255SS..Hα-helixtrans-60.8-46.7177.400000112.2P146 F147 I148 T153 Y154P146-A150 VanDerWaalsContact O-CB 3.23Å; P146-A150 WeakPolarHBondContact O-CB 3.36Å; P146-A150 PolarHBondContact O-N 3.17Å; F147-A150 PolarHBondContact O-N 2.97Å; I148-A150 VanDerWaalsContact C-N 3.34Å; I148-A150 PolarHBondContact O-N 3.28Å; A150-T153 PolarHBondContact O-N 3.12Å; A150-Y154 PolarHBondContact O-N 3.42Å
151Y94.5Very high90.8Very high99 Ų9953.7 Ų53.739%0.38827%0.265SS..Hα-helixtrans-63.6-48-179.5-179.3-100.9000112.5Y51 F147 I148 Y154 K155Y51-Y151 HydrophobicContact CD2-CE1 4.09Å; Y51-Y151 HydrophobicContact CE2-CE1 4.2Å; F147-Y151 WeakPolarHBondContact O-CB 3.48Å; F147-Y151 PolarHBondContact O-N 3.45Å; I148-Y151 PolarHBondContact O-N 3.21Å; Y151-Y154 WeakPolarHBondContact O-CB 3.19Å; Y151-Y154 PolarHBondContact O-N 2.96Å; Y151-K155 HydrophobicContact CD1-CG 4.48Å; Y151-K155 HydrophobicContact CE1-CG 4.1Å; Y151-K155 PolarHBondContact O-N 3.18Å; Y151-K155 VanDerWaalsContact OH-CE 3.25Å; Y151-K155 WeakPolarHBondContact OH-CE 3.46Å
152Y94.1Very high91.2Very high5 Ų556.4 Ų56.42%0.0227%0.274CS..Hα-helixtrans-74.4-27.2179.3-75.9-77.9000112.8Y51 I148 K155 T156 F294 Y295 Y298Y51-Y152 HydrophobicContact CD2-CE1 4.44Å; I148-Y152 HydrophobicContact CG2-CD2 3.73Å; I148-Y152 HydrophobicContact CG2-CE2 3.98Å; I148-Y152 WeakPolarHBondContact O-CD2 3.43Å; I148-Y152 PolarHBondContact O-N 3.41Å; Y152-K155 PolarHBondContact O-N 3.48Å; Y152-T156 VanDerWaalsContact O-CB 3.23Å; Y152-T156 WeakPolarHBondContact O-CB 3.41Å; Y152-T156 PolarHBondContact O-N 3.19Å; Y152-T156 PolarHBondContact O-OG1 3.48Å; Y152-F294 HydrophobicContact CE1-CE1 4Å; Y152-Y295 HydrophobicContact CD1-CD1 4.3Å; Y152-Y295 HydrophobicContact CE1-CD1 4.1Å; Y152-Y298 HydrophobicContact CD1-CD1 4.28Å; Y152-Y298 AromaticContact CD2-CD1 3.49Å; Y152-Y298 HydrophobicContact CD2-CD1 3.49Å; Y152-Y298 VanDerWaalsContact CD2-CD1 3.49Å; Y152-Y298 AromaticContact CD2-CE1 3.99Å; Y152-Y298 HydrophobicContact CD2-CE1 3.99Å; Y152-Y298 HydrophobicContact CD2-CG 4.48Å; Y152-Y298 AromaticContact CE1-CD1 3.96Å; Y152-Y298 HydrophobicContact CE1-CD1 3.96Å; Y152-Y298 HydrophobicContact CE1-CG 4.1Å; Y152-Y298 AromaticContact CE2-CD1 3.11Å; Y152-Y298 HydrophobicContact CE2-CD1 3.11Å; Y152-Y298 AromaticContact CE2-CE1 3.33Å; Y152-Y298 HydrophobicContact CE2-CE1 3.33Å; Y152-Y298 HydrophobicContact CE2-CG 4.03Å; Y152-Y298 HydrophobicContact CG-CD1 4.06Å; Y152-Y298 AromaticContact CZ-CD1 3.36Å; Y152-Y298 AromaticContact CZ-CE1 3.79Å; Y152-Y298 AromaticContact CZ-CG 3.8Å
153T95.5Very high91.5Very high25 Ų2557.7 Ų57.715%0.15328%0.28CS..Hα-helixtrans-61.7-45.7168.3-61.80000110.2I149 A150 T156 W157 P165 Y169I149-T153 WeakPolarHBondContact O-CB 3.45Å; I149-T153 PolarHBondContact O-N 3.33Å; I149-T153 PolarHBondContact O-OG1 3.14Å; A150-T153 PolarHBondContact O-N 3.12Å; T153-T156 PolarHBondContact O-N 3.27Å; T153-W157 WeakPolarHBondContact O-CB 2.97Å; T153-W157 PolarHBondContact O-N 3.34Å; T153-P165 HydrophobicContact CG2-CB 4.18Å; T153-P165 HydrophobicContact CG2-CG 4.47Å; T153-Y169 HydrophobicContact CG2-CE2 4.07Å; T153-Y169 PolarHBondContact OG1-OH 3.03Å
154Y95.7Very high91.8Very high144 Ų14455.5 Ų55.557%0.56527%0.267SS*.Hα-helixtrans-61.6-45.8176173.3-103.2000112.5A150 Y151 T156 W157 Q158A150-Y154 PolarHBondContact O-N 3.42Å; Y151-Y154 WeakPolarHBondContact O-CB 3.19Å; Y151-Y154 PolarHBondContact O-N 2.96Å; Y154-T156 VanDerWaalsContact C-N 3.32Å; Y154-T156 PolarHBondContact O-N 3.04Å; Y154-W157 PolarHBondContact O-N 3.02Å; Y154-Q158 PolarHBondContact O-N 3.47Å
155K93.2Very high92.2Very high39 Ų3954.3 Ų54.317%0.1726%0.261CS..Hα-helixtrans-63-38.1175.9-70.5-65.9-176.6-1800112.7Y151 Y152 Q158 S159 Y295Y151-K155 HydrophobicContact CD1-CG 4.48Å; Y151-K155 HydrophobicContact CE1-CG 4.1Å; Y151-K155 PolarHBondContact O-N 3.18Å; Y151-K155 VanDerWaalsContact OH-CE 3.25Å; Y151-K155 WeakPolarHBondContact OH-CE 3.46Å; Y152-K155 PolarHBondContact O-N 3.48Å; K155-Q158 PolarHBondContact O-N 3.3Å; K155-S159 PolarHBondContact O-N 3.39Å; K155-Y295 HydrophobicContact CB-CD2 4.01Å; K155-Y295 HydrophobicContact CB-CE2 4.26Å; K155-Y295 HydrophobicContact CB-CG 4.21Å; K155-Y295 HydrophobicContact CD-CE2 4.45Å
156T93.2Very high92.4Very high0 Ų058.4 Ų58.40%028%0.282CS..Hα-helixtrans-65.8-44176.6-59.50000111.1Y152 T153 Y154 Q158 S159 S160 P165 I168 Y296Y152-T156 VanDerWaalsContact O-CB 3.23Å; Y152-T156 WeakPolarHBondContact O-CB 3.41Å; Y152-T156 PolarHBondContact O-N 3.19Å; Y152-T156 PolarHBondContact O-OG1 3.48Å; T153-T156 PolarHBondContact O-N 3.27Å; Y154-T156 VanDerWaalsContact C-N 3.32Å; Y154-T156 PolarHBondContact O-N 3.04Å; T156-Q158 PolarHBondContact O-N 3.03Å; T156-S159 PolarHBondContact O-N 3.35Å; T156-S160 PolarHBondContact O-N 3.35Å; T156-S160 PolarHBondContact O-OG 3.41Å; T156-P165 HydrophobicContact CG2-CG 3.8Å; T156-I168 HydrophobicContact CG2-CD1 3.99Å; T156-Y296 HydrophobicContact CG2-CD1 3.64Å; T156-Y296 HydrophobicContact CG2-CE1 3.59Å
157W93.9Very high92.6Very high148 Ų14856.4 Ų56.456%0.56127%0.27SS*.Hα-helixtrans-59.6-44.8175.6-177.5-77.8000112T153 Y154 S159 G161 Y162 P165T153-W157 WeakPolarHBondContact O-CB 2.97Å; T153-W157 PolarHBondContact O-N 3.34Å; Y154-W157 PolarHBondContact O-N 3.02Å; W157-S159 PolarHBondContact O-N 3.46Å; W157-G161 WeakPolarHBondContact CA-O 3.48Å; W157-G161 WeakPolarHBondContact O-CA 3.44Å; W157-G161 PolarHBondContact O-N 3.06Å; W157-Y162 VanDerWaalsContact CH2-CB 3.4Å; W157-P165 HydrophobicContact CB-CG 4.06Å; W157-P165 HydrophobicContact CE3-CG 4.19Å
158Q91.5Very high92.7Very high115 Ų11549.5 Ų49.554%0.53724%0.24SC..Hα-helixtrans-60.9-34.9179.4-171.8177.520.400112.5Y154 K155 T156Y154-Q158 PolarHBondContact O-N 3.47Å; K155-Q158 PolarHBondContact O-N 3.3Å; T156-Q158 PolarHBondContact O-N 3.03Å
159S87.9Confident92.8Very high8 Ų852.6 Ų52.66%0.05625%0.251CS..Hα-helixtrans-82-52.7-177173.90000113.2K155 T156 W157 N292 Y296K155-S159 PolarHBondContact O-N 3.39Å; T156-S159 PolarHBondContact O-N 3.35Å; W157-S159 PolarHBondContact O-N 3.46Å; S159-N292 PolarHBondContact OG-ND2 3.21Å; S159-N292 PolarHBondContact OG-OD1 3.06Å; S159-Y296 WeakPolarHBondContact CB-OH 3.38Å; S159-Y296 PolarHBondContact OG-OH 2.94Å
160S88.7Confident92.8Very high3 Ų354.1 Ų54.12%0.02126%0.263CS..Hα-helixtrans-107.11.6-170.754.70000114.6T156 G164 Y296T156-S160 PolarHBondContact O-N 3.35Å; T156-S160 PolarHBondContact O-OG 3.41Å; S160-G164 VanDerWaalsContact OG-CA 3.24Å; S160-G164 WeakPolarHBondContact OG-CA 3.21Å; S160-G164 PolarHBondContact OG-N 3.16Å; S160-Y296 WeakPolarHBondContact CB-OH 3.47Å
161G89.7Confident92.7Very high23 Ų2352.3 Ų52.324%0.23724%0.243CC..THydrogen-bonded Turntrans68.2-155.9-168.400000111.9W157 L163 P165W157-G161 WeakPolarHBondContact CA-O 3.48Å; W157-G161 WeakPolarHBondContact O-CA 3.44Å; W157-G161 PolarHBondContact O-N 3.06Å; G161-L163 VanDerWaalsContact C-N 3.3Å; G161-L163 PolarHBondContact O-N 3.4Å; G161-P165 WeakPolarHBondContact O-CD 3.28Å
162Y91Very high92.6Very high138 Ų13849.9 Ų49.954%0.54124%0.235SC..THydrogen-bonded Turntrans-70.9-24.3-17672.8-87.2000113.6W157 G164 L166W157-Y162 VanDerWaalsContact CH2-CB 3.4Å; Y162-G164 PolarHBondContact O-N 3.34Å; Y162-L166 VanDerWaalsContact O-CB 3.27Å; Y162-L166 WeakPolarHBondContact O-CB 3.44Å; Y162-L166 PolarHBondContact O-N 2.93Å; Y162-L166 VanDerWaalsContact O-N 3.14Å
163L91.5Very high92.4Very high49 Ų4954.2 Ų54.226%0.25726%0.257SS..Hα-helixtrans-66.4-35.4-175.5-73.5171.8000112.8G161 S167 I269G161-L163 VanDerWaalsContact C-N 3.3Å; G161-L163 PolarHBondContact O-N 3.4Å; L163-S167 WeakPolarHBondContact O-CB 3.39Å; L163-S167 PolarHBondContact O-N 3.49Å; L163-S167 PolarHBondContact O-OG 3.16Å; L163-I269 HydrophobicContact CD1-CG2 3.95Å
164G91.8Very high92.3Very high0 Ų057.7 Ų57.70%027%0.274CS..Hα-helixtrans-66.9-56.9179.800000113.3S160 Y162 L166 S167 I168S160-G164 VanDerWaalsContact OG-CA 3.24Å; S160-G164 WeakPolarHBondContact OG-CA 3.21Å; S160-G164 PolarHBondContact OG-N 3.16Å; Y162-G164 PolarHBondContact O-N 3.34Å; G164-L166 VanDerWaalsContact C-N 3.29Å; G164-L166 PolarHBondContact O-N 3.29Å; G164-S167 PolarHBondContact O-N 3.07Å; G164-I168 WeakPolarHBondContact O-CG1 3.29Å; G164-I168 PolarHBondContact O-N 3.36Å
165P93.3Very high91.9Very high8 Ų851 Ų515%0.05225%0.248CC..Hα-helixtrans-55.8-44.3174.5-27.338000111.9T153 T156 W157 G161 S167 I168 Y169T153-P165 HydrophobicContact CG2-CB 4.18Å; T153-P165 HydrophobicContact CG2-CG 4.47Å; T156-P165 HydrophobicContact CG2-CG 3.8Å; W157-P165 HydrophobicContact CB-CG 4.06Å; W157-P165 HydrophobicContact CE3-CG 4.19Å; G161-P165 WeakPolarHBondContact O-CD 3.28Å; P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.13Å; P165-I168 PolarHBondContact O-N 3.12Å; P165-Y169 WeakPolarHBondContact O-CB 3.05Å; P165-Y169 WeakPolarHBondContact O-CD2 3.4Å; P165-Y169 PolarHBondContact O-N 3.16Å
166L94.1Very high91.5Very high97 Ų9751.4 Ų51.451%0.50825%0.254SS..Hα-helixtrans-57.8-43.5178.6-177.565000112.6Y162 G164 S170Y162-L166 VanDerWaalsContact O-CB 3.27Å; Y162-L166 WeakPolarHBondContact O-CB 3.44Å; Y162-L166 PolarHBondContact O-N 2.93Å; Y162-L166 VanDerWaalsContact O-N 3.14Å; G164-L166 VanDerWaalsContact C-N 3.29Å; G164-L166 PolarHBondContact O-N 3.29Å; L166-S170 VanDerWaalsContact O-CB 3.32Å; L166-S170 WeakPolarHBondContact O-CB 3.5Å; L166-S170 PolarHBondContact O-N 2.74Å; L166-S170 PolarHBondContact O-OG 3.4Å
167S93.4Very high91.3Very high36 Ų3655.5 Ų55.525%0.25228%0.275SS..Hα-helixtrans-64.6-44178.7-59.50000111.9L163 G164 P165 S170 Y171L163-S167 WeakPolarHBondContact O-CB 3.39Å; L163-S167 PolarHBondContact O-N 3.49Å; L163-S167 PolarHBondContact O-OG 3.16Å; G164-S167 PolarHBondContact O-N 3.07Å; P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.13Å; S167-S170 PolarHBondContact O-N 3.45Å; S167-Y171 WeakPolarHBondContact O-CB 3.32Å; S167-Y171 PolarHBondContact O-N 3.26Å
168I93.5Very high91Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-68-42.7-179.5-64.3171000111T156 G164 P165 Y171 F172 I266 Y296 L299 I300 F303T156-I168 HydrophobicContact CG2-CD1 3.99Å; G164-I168 WeakPolarHBondContact O-CG1 3.29Å; G164-I168 PolarHBondContact O-N 3.36Å; P165-I168 PolarHBondContact O-N 3.12Å; I168-Y171 PolarHBondContact O-N 3.15Å; I168-F172 PolarHBondContact O-N 3.27Å; I168-I266 HydrophobicContact CD1-CD1 3.94Å; I168-I266 HydrophobicContact CG1-CD1 3.49Å; I168-I266 VanDerWaalsContact CG1-CD1 3.49Å; I168-Y296 HydrophobicContact CD1-CG 4.47Å; I168-L299 HydrophobicContact CB-CD2 4.4Å; I168-L299 HydrophobicContact CD1-CB 4.49Å; I168-L299 HydrophobicContact CD1-CD2 3.86Å; I168-L299 HydrophobicContact CD1-CG 4.48Å; I168-L299 HydrophobicContact CG2-CD2 3.98Å; I168-L299 HydrophobicContact CG2-CG 3.95Å; I168-I300 HydrophobicContact CD1-CG1 4.47Å; I168-I300 HydrophobicContact CG1-CD1 4.42Å; I168-I300 HydrophobicContact CG1-CG1 4.22Å; I168-I300 HydrophobicContact CG2-CG1 3.81Å; I168-F303 HydrophobicContact CG2-CD2 3.83Å; I168-F303 HydrophobicContact CG2-CE2 3.83Å
169Y93.9Very high90.6Very high87 Ų8746.9 Ų46.934%0.34124%0.243SC..Hα-helixtrans-66.8-39.4177.5-83.3-112000111.7T153 P165 F172 I173 F303T153-Y169 HydrophobicContact CG2-CE2 4.07Å; T153-Y169 PolarHBondContact OG1-OH 3.03Å; P165-Y169 WeakPolarHBondContact O-CB 3.05Å; P165-Y169 WeakPolarHBondContact O-CD2 3.4Å; P165-Y169 PolarHBondContact O-N 3.16Å; Y169-F172 PolarHBondContact O-N 2.87Å; Y169-I173 WeakPolarHBondContact O-CG1 3.13Å; Y169-I173 PolarHBondContact O-N 3.39Å; Y169-F303 HydrophobicContact CD1-CZ 4.26Å; Y169-F303 HydrophobicContact CD2-CE2 4.15Å; Y169-F303 HydrophobicContact CD2-CZ 4.17Å; Y169-F303 AromaticContact CE1-CZ 3.98Å; Y169-F303 HydrophobicContact CE1-CZ 3.98Å; Y169-F303 HydrophobicContact CE2-CE2 4.13Å; Y169-F303 AromaticContact CE2-CZ 3.92Å; Y169-F303 HydrophobicContact CE2-CZ 3.92Å; Y169-F303 HydrophobicContact CG-CZ 4.37Å; Y169-F303 AromaticContact CZ-CZ 3.82Å
170S93.8Very high90.3Very high51 Ų5151.7 Ų51.736%0.35726%0.263SS..Hα-helixtrans-62.1-45.3175.1-59.30000111.2L166 S167 F172 I173 I174L166-S170 VanDerWaalsContact O-CB 3.32Å; L166-S170 WeakPolarHBondContact O-CB 3.5Å; L166-S170 PolarHBondContact O-N 2.74Å; L166-S170 PolarHBondContact O-OG 3.4Å; S167-S170 PolarHBondContact O-N 3.45Å; S170-F172 PolarHBondContact O-N 2.84Å; S170-I173 PolarHBondContact O-N 3.02Å; S170-I174 WeakPolarHBondContact O-CG1 3.28Å; S170-I174 PolarHBondContact O-N 3.02Å
171Y93Very high90.1Very high24 Ų2459.2 Ų59.29%0.09430%0.295CS..Hα-helixtrans-60.8-42174.1166.2-96.4000112.1S167 I168 I173 I174 S175 V255 F258 G259 L262 I300S167-Y171 WeakPolarHBondContact O-CB 3.32Å; S167-Y171 PolarHBondContact O-N 3.26Å; I168-Y171 PolarHBondContact O-N 3.15Å; Y171-I173 PolarHBondContact O-N 3.4Å; Y171-I174 PolarHBondContact O-N 3.42Å; Y171-S175 WeakPolarHBondContact CE2-OG 3.22Å; Y171-S175 VanDerWaalsContact O-CB 3.23Å; Y171-S175 WeakPolarHBondContact O-CB 3.39Å; Y171-S175 PolarHBondContact O-N 2.78Å; Y171-S175 PolarHBondContact O-OG 2.98Å; Y171-V255 HydrophobicContact CE2-CG1 4.5Å; Y171-V255 WeakPolarHBondContact OH-CG1 3.08Å; Y171-V255 PolarHBondContact OH-O 3.24Å; Y171-F258 HydrophobicContact CD2-CD1 4.2Å; Y171-F258 AromaticContact CE2-CD1 3.75Å; Y171-F258 HydrophobicContact CE2-CD1 3.75Å; Y171-F258 HydrophobicContact CE2-CE1 4.49Å; Y171-G259 PolarHBondContact OH-N 3.21Å; Y171-L262 VanDerWaalsContact CB-CD2 3.45Å; Y171-L262 HydrophobicContact CD1-CD2 3.87Å; Y171-L262 HydrophobicContact CD2-CD2 3.85Å; Y171-L262 HydrophobicContact CG-CD2 3.43Å; Y171-L262 VanDerWaalsContact CG-CD2 3.43Å; Y171-I300 HydrophobicContact CE1-CG2 3.89Å
172F90.8Very high89.8Confident47 Ų4758.6 Ų58.621%0.20629%0.288CS..Hα-helixtrans-60.3-44.2175.6171-116.7000112.6I168 Y169 S170 S175 T176 F303 I307I168-F172 PolarHBondContact O-N 3.27Å; Y169-F172 PolarHBondContact O-N 2.87Å; S170-F172 PolarHBondContact O-N 2.84Å; F172-S175 PolarHBondContact O-N 3.21Å; F172-T176 WeakPolarHBondContact CE2-OG1 3.41Å; F172-T176 VanDerWaalsContact O-CB 3.3Å; F172-T176 WeakPolarHBondContact O-CB 3.34Å; F172-T176 PolarHBondContact O-N 2.84Å; F172-T176 PolarHBondContact O-OG1 3.28Å; F172-F303 HydrophobicContact CB-CB 4.24Å; F172-F303 HydrophobicContact CB-CD1 4.25Å; F172-F303 HydrophobicContact CB-CD2 4.04Å; F172-F303 HydrophobicContact CB-CE2 4.48Å; F172-F303 HydrophobicContact CB-CG 3.93Å; F172-F303 AromaticContact CD1-CD1 3.75Å; F172-F303 HydrophobicContact CD1-CD1 3.75Å; F172-F303 AromaticContact CD1-CE1 3.9Å; F172-F303 HydrophobicContact CD1-CE1 3.9Å; F172-F303 HydrophobicContact CD1-CG 4.3Å; F172-F303 HydrophobicContact CD2-CB 3.43Å; F172-F303 VanDerWaalsContact CD2-CB 3.43Å; F172-F303 AromaticContact CD2-CD1 3.62Å; F172-F303 HydrophobicContact CD2-CD1 3.62Å; F172-F303 AromaticContact CD2-CG 3.64Å; F172-F303 HydrophobicContact CD2-CG 3.64Å; F172-F303 AromaticContact CE1-CD1 3.91Å; F172-F303 HydrophobicContact CE1-CD1 3.91Å; F172-F303 HydrophobicContact CE1-CE1 4.1Å; F172-F303 HydrophobicContact CE2-CB 3.92Å; F172-F303 AromaticContact CE2-CD1 3.73Å; F172-F303 HydrophobicContact CE2-CD1 3.73Å; F172-F303 HydrophobicContact CE2-CG 4.14Å; F172-F303 HydrophobicContact CG-CB 3.97Å; F172-F303 AromaticContact CG-CD1 3.58Å; F172-F303 HydrophobicContact CG-CD1 3.58Å; F172-F303 HydrophobicContact CG-CD2 4.27Å; F172-F303 HydrophobicContact CG-CE1 4.13Å; F172-F303 AromaticContact CG-CG 3.68Å; F172-F303 HydrophobicContact CG-CG 3.68Å; F172-F303 AromaticContact CZ-CD1 3.88Å; F172-F303 HydrophobicContact CZ-CD1 3.88Å; F172-F303 HydrophobicContact CZ-CE1 4.47Å; F172-I307 HydrophobicContact CD2-CD1 4.25Å; F172-I307 HydrophobicContact CD2-CG1 4.5Å; F172-I307 HydrophobicContact CE2-CD1 4.23Å; F172-I307 HydrophobicContact CE2-CG1 3.98Å
173I91.6Very high89.2Confident97 Ų9753.7 Ų53.750%0.49727%0.27SS..Hα-helixtrans-61.6-48.3178-67.8166.4000110.3Y169 S170 Y171 T176 I177Y169-I173 WeakPolarHBondContact O-CG1 3.13Å; Y169-I173 PolarHBondContact O-N 3.39Å; S170-I173 PolarHBondContact O-N 3.02Å; Y171-I173 PolarHBondContact O-N 3.4Å; I173-T176 PolarHBondContact O-N 3.46Å; I173-I177 HydrophobicContact CG2-CD1 3.85Å; I173-I177 VanDerWaalsContact O-CG1 3.29Å; I173-I177 WeakPolarHBondContact O-CG1 3.42Å; I173-I177 PolarHBondContact O-N 2.86Å
174I92.1Very high88.6Confident97 Ų9754 Ų5450%0.49728%0.277SS..Hα-helixtrans-60.6-49.5178.8-66.7166.2000110.5S170 Y171 T176 I177 I178S170-I174 WeakPolarHBondContact O-CG1 3.28Å; S170-I174 PolarHBondContact O-N 3.02Å; Y171-I174 PolarHBondContact O-N 3.42Å; I174-T176 VanDerWaalsContact C-N 3.29Å; I174-T176 PolarHBondContact O-N 3.48Å; I174-I177 PolarHBondContact O-N 3.44Å; I174-I178 HydrophobicContact CG2-CD1 3.7Å; I174-I178 HydrophobicContact CG2-CG1 4.39Å; I174-I178 WeakPolarHBondContact O-CG1 3.21Å; I174-I178 PolarHBondContact O-N 2.9Å
175S88.6Confident88.1Confident3 Ų355.2 Ų55.22%0.02129%0.285CS..Hα-helixtrans-60.2-37.4178.4-65.90000112.5Y171 F172 N179 V255Y171-S175 WeakPolarHBondContact CE2-OG 3.22Å; Y171-S175 VanDerWaalsContact O-CB 3.23Å; Y171-S175 WeakPolarHBondContact O-CB 3.39Å; Y171-S175 PolarHBondContact O-N 2.78Å; Y171-S175 PolarHBondContact O-OG 2.98Å; F172-S175 PolarHBondContact O-N 3.21Å; S175-N179 WeakPolarHBondContact O-CB 3.37Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.89Å; S175-V255 WeakPolarHBondContact OG-CG1 3.39Å
176T85.1Confident87.6Confident49 Ų4955.5 Ų55.530%0.30129%0.286SS..Hα-helixtrans-67.7-42.5176-59.50000111.5F172 I173 I174 K180F172-T176 WeakPolarHBondContact CE2-OG1 3.41Å; F172-T176 VanDerWaalsContact O-CB 3.3Å; F172-T176 WeakPolarHBondContact O-CB 3.34Å; F172-T176 PolarHBondContact O-N 2.84Å; F172-T176 PolarHBondContact O-OG1 3.28Å; I173-T176 PolarHBondContact O-N 3.46Å; I174-T176 VanDerWaalsContact C-N 3.29Å; I174-T176 PolarHBondContact O-N 3.48Å; T176-K180 WeakPolarHBondContact O-CB 3.38Å; T176-K180 PolarHBondContact O-N 3.35Å
177I87.8Confident86.7Confident86 Ų8653.9 Ų53.944%0.44128%0.28SS..Hα-helixtrans-63.5-47.9177.3-68.7166.8000110.4I173 I174 N179 K180 F181I173-I177 HydrophobicContact CG2-CD1 3.85Å; I173-I177 VanDerWaalsContact O-CG1 3.29Å; I173-I177 WeakPolarHBondContact O-CG1 3.42Å; I173-I177 PolarHBondContact O-N 2.86Å; I174-I177 PolarHBondContact O-N 3.44Å; I177-N179 PolarHBondContact O-N 3.44Å; I177-K180 WeakPolarHBondContact O-CB 3.4Å; I177-K180 PolarHBondContact O-N 2.91Å; I177-F181 HydrophobicContact CG2-CD2 3.76Å; I177-F181 HydrophobicContact CG2-CE2 3.56Å; I177-F181 WeakPolarHBondContact O-CD2 3.44Å; I177-F181 PolarHBondContact O-N 3.24Å
178I88.3Confident86Confident74 Ų7458.8 Ų58.838%0.37929%0.293SS..Hα-helixtrans-59.3-48.6178.3-67.9170.7000110.6I174 K180 F181 A182 V251I174-I178 HydrophobicContact CG2-CD1 3.7Å; I174-I178 HydrophobicContact CG2-CG1 4.39Å; I174-I178 WeakPolarHBondContact O-CG1 3.21Å; I174-I178 PolarHBondContact O-N 2.9Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 3.3Å; I178-F181 PolarHBondContact O-N 2.85Å; I178-A182 PolarHBondContact O-N 2.87Å; I178-V251 HydrophobicContact CG2-CG1 3.47Å; I178-V251 VanDerWaalsContact CG2-CG1 3.47Å
179N82.8Confident85.5Confident7 Ų759.3 Ų59.34%0.03730%0.297CS..Hα-helixtrans-62.4-38.8176.8-82.2-61.5000112.1S175 I177 F181 A182 M183 T252 I307S175-N179 WeakPolarHBondContact O-CB 3.37Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.89Å; I177-N179 PolarHBondContact O-N 3.44Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 3.25Å; N179-A182 PolarHBondContact O-N 2.97Å; N179-M183 VanDerWaalsContact O-CB 3.26Å; N179-M183 WeakPolarHBondContact O-CB 2.88Å; N179-M183 PolarHBondContact O-N 3.36Å; N179-T252 PolarHBondContact OD1-OG1 3.43Å; N179-T252 VanDerWaalsContact OD1-OG1 3.07Å; N179-I307 HydrophobicContact CB-CG2 3.97Å
180K81.2Confident84.7Confident110 Ų11056.5 Ų56.548%0.47829%0.289SS..Hα-helixtrans-59.2-44.3175.5-177.6175.8180176.30111.4E6 T176 I177 I178 M183 S184E6-K180 IonicContact OE2-NZ 3.48Å; E6-K180 PolarHBondContact OE2-NZ 2.95Å; T176-K180 WeakPolarHBondContact O-CB 3.38Å; T176-K180 PolarHBondContact O-N 3.35Å; I177-K180 WeakPolarHBondContact O-CB 3.4Å; I177-K180 PolarHBondContact O-N 2.91Å; I178-K180 VanDerWaalsContact C-N 3.34Å; I178-K180 PolarHBondContact O-N 3.3Å; K180-M183 PolarHBondContact O-N 3.38Å; K180-S184 PolarHBondContact O-N 3.27Å
181F84.6Confident83.9Confident160 Ų16057 Ų5770%0.70230%0.296SS*.Hα-helixtrans-65-43.2176.8-80.5-69000112.2I177 I178 N179 M183 P185I177-F181 HydrophobicContact CG2-CD2 3.76Å; I177-F181 HydrophobicContact CG2-CE2 3.56Å; I177-F181 WeakPolarHBondContact O-CD2 3.44Å; I177-F181 PolarHBondContact O-N 3.24Å; I178-F181 PolarHBondContact O-N 2.85Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 3.25Å; F181-M183 VanDerWaalsContact C-N 3.32Å; F181-M183 PolarHBondContact O-N 3.46Å; F181-P185 WeakPolarHBondContact O-CD 3.42Å
182A83.2Confident83.5Confident11 Ų1159.3 Ų59.39%0.09131%0.31CS..Hα-helixtrans-66.2-31.3177.200000113.2I178 N179 P185 L247 L248 V251I178-A182 PolarHBondContact O-N 2.87Å; N179-A182 PolarHBondContact O-N 2.97Å; A182-P185 WeakPolarHBondContact O-CD 3.38Å; A182-P185 WeakPolarHBondContact O-CG 3.47Å; A182-L247 HydrophobicContact CB-CD2 4.33Å; A182-L248 HydrophobicContact CB-CD1 3.72Å; A182-V251 HydrophobicContact CB-CG1 4.47Å
183M78.6Confident83.3Confident34 Ų3458.3 Ų58.317%0.16731%0.306CS..Hα-helixtrans-77.1-31.7-178.7-172.1176.3-76.600113.4N179 K180 F181 V186 V187N179-M183 VanDerWaalsContact O-CB 3.26Å; N179-M183 WeakPolarHBondContact O-CB 2.88Å; N179-M183 PolarHBondContact O-N 3.36Å; K180-M183 PolarHBondContact O-N 3.38Å; F181-M183 VanDerWaalsContact C-N 3.32Å; F181-M183 PolarHBondContact O-N 3.46Å; M183-V186 WeakPolarHBondContact O-CB 3.2Å; M183-V186 PolarHBondContact O-N 2.96Å; M183-V187 HydrophobicContact CG-CG2 3.97Å; M183-V187 PolarHBondContact O-N 2.75Å
184S79.2Confident82.7Confident55 Ų5556.1 Ų56.139%0.38529%0.294SS..Hα-helixtrans-50.5-47.8-178.8-166.20000115.1K180K180-S184 PolarHBondContact O-N 3.27Å
185P82.3Confident82.3Confident27 Ų2758 Ų5818%0.17530%0.298CS..Hα-helixtrans-69.6-33.4176.126.4-34.9000113.2F181 A182 R188 C189 W244F181-P185 WeakPolarHBondContact O-CD 3.42Å; A182-P185 WeakPolarHBondContact O-CD 3.38Å; A182-P185 WeakPolarHBondContact O-CG 3.47Å; P185-R188 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-N 3.43Å; P185-C189 VanDerWaalsContact O-N 3.09Å; P185-C189 PolarHBondContact O-SG 3.1Å; P185-W244 HydrophobicContact CB-CD2 3.61Å; P185-W244 HydrophobicContact CB-CE3 3.7Å; P185-W244 HydrophobicContact CB-CG 4.23Å; P185-W244 HydrophobicContact CB-CH2 3.91Å; P185-W244 HydrophobicContact CB-CZ2 3.82Å; P185-W244 HydrophobicContact CB-CZ3 3.86Å; P185-W244 HydrophobicContact CG-CD2 3.82Å; P185-W244 HydrophobicContact CG-CE3 3.35Å; P185-W244 HydrophobicContact CG-CH2 3.9Å; P185-W244 HydrophobicContact CG-CZ2 4.31Å; P185-W244 HydrophobicContact CG-CZ3 3.41Å; P185-W244 VanDerWaalsContact CG-CZ3 3.41Å
186V80.9Confident82.3Confident13 Ų1360.4 Ų60.48%0.07931%0.308CS..Hα-helixtrans-61.3-48.4177.6177.20000110.1M183 R188 C189 V190 L241 W244 R245 L248M183-V186 WeakPolarHBondContact O-CB 3.2Å; M183-V186 PolarHBondContact O-N 2.96Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 2.97Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 WeakPolarHBondContact O-CA 3.1Å; V186-C189 WeakPolarHBondContact O-CB 3.47Å; V186-C189 PolarHBondContact O-N 3.14Å; V186-V190 HydrophobicContact CG1-CG2 4.18Å; V186-V190 WeakPolarHBondContact O-CG2 3.37Å; V186-V190 PolarHBondContact O-N 3.12Å; V186-L241 HydrophobicContact CG1-CD1 3.9Å; V186-W244 HydrophobicContact CG2-CB 3.85Å; V186-R245 HydrophobicContact CG1-CG 4.28Å; V186-L248 HydrophobicContact CG2-CB 4.26Å; V186-L248 HydrophobicContact CG2-CD2 4.14Å
187V75.4Confident82.4Confident63 Ų6360.2 Ų60.238%0.38230%0.304SS..Hα-helixtrans-57.6-41.9-180174.40000111.7M183 C189 V190 A191M183-V187 HydrophobicContact CG-CG2 3.97Å; M183-V187 PolarHBondContact O-N 2.75Å; V187-C189 VanDerWaalsContact C-N 3.35Å; V187-C189 PolarHBondContact O-N 2.59Å; V187-V190 PolarHBondContact O-N 3.08Å; V187-A191 PolarHBondContact O-N 3.34Å
188R80.1Confident82.2Confident139 Ų13957.9 Ų57.953%0.52530%0.301SS..Hα-helixtrans-65.7-38176.3-63.9-176.7-164.6168.710.9112.2R4 P185 V186 N192R4-R188 VanDerWaalsContact NH1-NH2 3.17Å; P185-R188 PolarHBondContact O-N 3.16Å; V186-R188 VanDerWaalsContact C-N 3.3Å; V186-R188 PolarHBondContact O-N 2.97Å; R188-N192 WeakPolarHBondContact O-CB 3.11Å; R188-N192 PolarHBondContact O-N 3.49Å; R188-N192 VanDerWaalsContact O-N 3.14Å
189C82.7Confident82.2Confident11 Ų1156.6 Ų56.67%0.07430%0.295CS..Hα-helixtrans-69.8-39.5177.5-64.30000111.7P185 V186 V187 N192 Q193 L241 W244P185-C189 PolarHBondContact O-N 3.43Å; P185-C189 VanDerWaalsContact O-N 3.09Å; P185-C189 PolarHBondContact O-SG 3.1Å; V186-C189 CarbonylContact O-C 3.59Å; V186-C189 WeakPolarHBondContact O-CA 3.1Å; V186-C189 WeakPolarHBondContact O-CB 3.47Å; V186-C189 PolarHBondContact O-N 3.14Å; V187-C189 VanDerWaalsContact C-N 3.35Å; V187-C189 PolarHBondContact O-N 2.59Å; C189-N192 PolarHBondContact O-N 3.05Å; C189-Q193 WeakPolarHBondContact O-CB 3.34Å; C189-Q193 PolarHBondContact O-N 2.9Å; C189-L241 HydrophobicContact CB-CB 4.07Å; C189-L241 HydrophobicContact CB-CD1 3.83Å; C189-W244 VanDerWaalsContact SG-CD1 3.53Å
190V77.6Confident82.6Confident29 Ų2958 Ų5818%0.17630%0.301CS..Hα-helixtrans-61.1-49.1174.5173.50000110.6V186 V187 N192 Q193 E194 L241V186-V190 HydrophobicContact CG1-CG2 4.18Å; V186-V190 WeakPolarHBondContact O-CG2 3.37Å; V186-V190 PolarHBondContact O-N 3.12Å; V187-V190 PolarHBondContact O-N 3.08Å; V190-N192 VanDerWaalsContact C-N 3.27Å; V190-N192 PolarHBondContact O-N 3.1Å; V190-Q193 PolarHBondContact O-N 3.12Å; V190-E194 HydrophobicContact CG1-CG 4.27Å; V190-E194 WeakPolarHBondContact O-CB 3.24Å; V190-E194 WeakPolarHBondContact O-CG 3.42Å; V190-E194 PolarHBondContact O-N 3.01Å; V190-L241 HydrophobicContact CG2-CD1 3.53Å; V190-L241 HydrophobicContact CG2-CD2 4.02Å; V190-L241 HydrophobicContact CG2-CG 4.45Å
191A76.3Confident83.1Confident61 Ų6158 Ų5850%0.50430%0.298SS..Hα-helixtrans-59.5-38.517800000112.5V187 K195V187-A191 PolarHBondContact O-N 3.34Å; A191-K195 PolarHBondContact O-N 3.34Å; A191-K195 VanDerWaalsContact O-N 3.12Å
192N83.6Confident83.2Confident72 Ų7257.8 Ų57.839%0.38530%0.297SS..Hα-helixtrans-70.3-41.6175.8-172.151000112.4R188 C189 V190 K195 K196R188-N192 WeakPolarHBondContact O-CB 3.11Å; R188-N192 PolarHBondContact O-N 3.49Å; R188-N192 VanDerWaalsContact O-N 3.14Å; C189-N192 PolarHBondContact O-N 3.05Å; V190-N192 VanDerWaalsContact C-N 3.27Å; V190-N192 PolarHBondContact O-N 3.1Å; N192-K195 PolarHBondContact O-N 2.67Å; N192-K196 WeakPolarHBondContact O-CG 3.36Å; N192-K196 PolarHBondContact O-N 2.85Å
193Q87Confident83.6Confident27 Ų2759.2 Ų59.213%0.12630%0.301CS..Hα-helixtrans-60.2-49.3174.4179.9-132.1-41.800110.7C189 V190 K195 K196 E197 L234 A237 L241C189-Q193 WeakPolarHBondContact O-CB 3.34Å; C189-Q193 PolarHBondContact O-N 2.9Å; V190-Q193 PolarHBondContact O-N 3.12Å; Q193-K195 VanDerWaalsContact C-N 3.3Å; Q193-K195 PolarHBondContact O-N 3.26Å; Q193-K196 PolarHBondContact O-N 2.92Å; Q193-K196 VanDerWaalsContact O-N 3.1Å; Q193-E197 PolarHBondContact NE2-OE2 3.4Å; Q193-E197 WeakPolarHBondContact O-CB 3.48Å; Q193-E197 PolarHBondContact O-N 3.02Å; Q193-L234 HydrophobicContact CG-CD1 4.08Å; Q193-A237 HydrophobicContact CB-CB 4.48Å; Q193-L241 HydrophobicContact CB-CD2 4.45Å
194E79.4Confident84.3Confident51 Ų5161.9 Ų61.924%0.23831%0.313CS..Hα-helixtrans-56.8-42.1177.6-76.5-82.8154.500112.1R130 V190 E197 G198 R322R130-E194 IonicContact NH1-OE1 3.39Å; V190-E194 HydrophobicContact CG1-CG 4.27Å; V190-E194 WeakPolarHBondContact O-CB 3.24Å; V190-E194 WeakPolarHBondContact O-CG 3.42Å; V190-E194 PolarHBondContact O-N 3.01Å; E194-E197 PolarHBondContact O-N 3.12Å; E194-G198 PolarHBondContact O-N 3.38Å; E194-R322 IonicContact OE2-CZ 2.77Å; E194-R322 IonicContact OE2-NH1 3.8Å; E194-R322 IonicContact OE2-NH2 3.69Å; E194-R322 PolarHBondContact OE2-NH2 3.43Å
195K83.1Confident84.7Confident137 Ų13764.2 Ų64.260%0.59632%0.319SS*.Hα-helixtrans-62.2-47.8174.4-178.7177.2178.6174.90111.7A191 N192 Q193 E197 G198 D199A191-K195 PolarHBondContact O-N 3.34Å; A191-K195 VanDerWaalsContact O-N 3.12Å; N192-K195 PolarHBondContact O-N 2.67Å; Q193-K195 VanDerWaalsContact C-N 3.3Å; Q193-K195 PolarHBondContact O-N 3.26Å; K195-E197 VanDerWaalsContact C-N 3.31Å; K195-E197 PolarHBondContact O-N 2.92Å; K195-G198 PolarHBondContact O-N 2.89Å; K195-D199 PolarHBondContact O-N 3.47Å
196K89.4Confident85.1Confident52 Ų5264.2 Ų64.223%0.22632%0.321CS..Hα-helixtrans-66.8-33179.8-66.8-58.4-176.7-179.20112.6N192 Q193 D199 F200 N233 L234 A237N192-K196 WeakPolarHBondContact O-CG 3.36Å; N192-K196 PolarHBondContact O-N 2.85Å; Q193-K196 PolarHBondContact O-N 2.92Å; Q193-K196 VanDerWaalsContact O-N 3.1Å; K196-D199 PolarHBondContact O-N 3.3Å; K196-F200 WeakPolarHBondContact O-CB 3.46Å; K196-F200 PolarHBondContact O-N 3.46Å; K196-N233 HydrophobicContact CD-CB 4.29Å; K196-L234 HydrophobicContact CB-CB 4.25Å; K196-L234 HydrophobicContact CB-CD1 4.15Å; K196-A237 HydrophobicContact CG-CB 4.24Å
197E87.2Confident85.6Confident45 Ų4565.5 Ų65.521%0.2133%0.329CS..Hα-helixtrans-68.4-41.1173.8-171.3171.7170.200110.9Q193 E194 K195 F200 R201 L234Q193-E197 PolarHBondContact NE2-OE2 3.4Å; Q193-E197 WeakPolarHBondContact O-CB 3.48Å; Q193-E197 PolarHBondContact O-N 3.02Å; E194-E197 PolarHBondContact O-N 3.12Å; K195-E197 VanDerWaalsContact C-N 3.31Å; K195-E197 PolarHBondContact O-N 2.92Å; E197-F200 PolarHBondContact O-N 2.87Å; E197-R201 WeakPolarHBondContact O-CB 3.37Å; E197-R201 VanDerWaalsContact O-CG 3.29Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 3.49Å; E197-R201 IonicContact OE1-CZ 2.64Å; E197-R201 IonicContact OE1-NE 3.98Å; E197-R201 PolarHBondContact OE1-NE 3.33Å; E197-R201 IonicContact OE1-NH2 3.82Å; E197-R201 PolarHBondContact OE1-NH2 3.46Å; E197-L234 HydrophobicContact CB-CD1 3.87Å; E197-L234 HydrophobicContact CB-CD2 4.44Å; E197-L234 HydrophobicContact CG-CD2 4.49Å
198G83.1Confident86.2Confident38 Ų3869.9 Ų69.939%0.39234%0.339SS..Hα-helixtrans-58.2-48.8169.900000112.8E194 K195 F200 R201 F202E194-G198 PolarHBondContact O-N 3.38Å; K195-G198 PolarHBondContact O-N 2.89Å; G198-F200 VanDerWaalsContact C-N 3.32Å; G198-F200 PolarHBondContact O-N 3.43Å; G198-R201 PolarHBondContact O-N 2.96Å; G198-F202 WeakPolarHBondContact O-CB 3.35Å; G198-F202 PolarHBondContact O-N 3.25Å
199D87.7Confident86.4Confident46 Ų4666.7 Ų66.725%0.24634%0.338CS..Hα-helixtrans-58.1-43.5176.5-69.8-12.2000111.7K195 K196 K203 R230K195-D199 PolarHBondContact O-N 3.47Å; K196-D199 PolarHBondContact O-N 3.3Å; D199-K203 PolarHBondContact O-N 2.97Å; D199-R230 IonicContact OD2-NH1 3.97Å; D199-R230 PolarHBondContact OD2-NH1 3.26Å
200F93Very high86.7Confident36 Ų3671.3 Ų71.316%0.15836%0.358CS..Hα-helixtrans-68-45.5179.7176.2-111.3000112.2K196 E197 G198 F202 K203 H204 T227 R230 L231 L234K196-F200 WeakPolarHBondContact O-CB 3.46Å; K196-F200 PolarHBondContact O-N 3.46Å; E197-F200 PolarHBondContact O-N 2.87Å; G198-F200 VanDerWaalsContact C-N 3.32Å; G198-F200 PolarHBondContact O-N 3.43Å; F200-F202 VanDerWaalsContact C-N 3.35Å; F200-F202 PolarHBondContact O-N 3.22Å; F200-K203 PolarHBondContact O-N 2.9Å; F200-H204 AromaticContact CD2-CD2 3.93Å; F200-H204 AromaticContact CE1-CD2 3.56Å; F200-H204 AromaticContact CE1-NE2 3.74Å; F200-H204 AromaticContact CE2-CD2 3.4Å; F200-H204 VanDerWaalsContact CE2-CD2 3.4Å; F200-H204 WeakPolarHBondContact CE2-CD2 3.41Å; F200-H204 AromaticContact CE2-NE2 3.31Å; F200-H204 VanDerWaalsContact CE2-NE2 3.31Å; F200-H204 WeakPolarHBondContact CE2-NE2 3.47Å; F200-H204 AromaticContact CZ-CD2 3.21Å; F200-H204 WeakPolarHBondContact CZ-CD2 3.48Å; F200-H204 AromaticContact CZ-NE2 2.98Å; F200-H204 WeakPolarHBondContact CZ-NE2 3.31Å; F200-H204 PolarHBondContact O-N 3.26Å; F200-T227 HydrophobicContact CE2-CG2 3.91Å; F200-R230 HydrophobicContact CD2-CB 4.16Å; F200-L231 HydrophobicContact CD2-CB 4.11Å; F200-L231 HydrophobicContact CE1-CD1 4.25Å; F200-L231 HydrophobicContact CE2-CB 3.69Å; F200-L231 HydrophobicContact CE2-CD1 4.03Å; F200-L231 HydrophobicContact CE2-CG 4.33Å; F200-L231 HydrophobicContact CZ-CB 4.33Å; F200-L231 HydrophobicContact CZ-CD1 3.83Å; F200-L231 HydrophobicContact CZ-CG 4.49Å; F200-L234 HydrophobicContact CB-CD2 4.24Å; F200-L234 HydrophobicContact CD1-CD2 3.97Å; F200-L234 HydrophobicContact CG-CD2 4.22Å
201R90.3Very high87.3Confident111 Ų11173.3 Ų73.342%0.41937%0.373SS..Hα-helixtrans-61.9-42.1175.4-73.1179.7-170.6-174.94.5111.7E197 G198 H204 M205E197-R201 WeakPolarHBondContact O-CB 3.37Å; E197-R201 VanDerWaalsContact O-CG 3.29Å; E197-R201 WeakPolarHBondContact O-CG 3.47Å; E197-R201 PolarHBondContact O-N 3.49Å; E197-R201 IonicContact OE1-CZ 2.64Å; E197-R201 IonicContact OE1-NE 3.98Å; E197-R201 PolarHBondContact OE1-NE 3.33Å; E197-R201 IonicContact OE1-NH2 3.82Å; E197-R201 PolarHBondContact OE1-NH2 3.46Å; G198-R201 PolarHBondContact O-N 2.96Å; R201-H204 WeakPolarHBondContact O-CB 3.24Å; R201-H204 PolarHBondContact O-N 2.89Å; R201-M205 WeakPolarHBondContact O-CG 3.19Å; R201-M205 PolarHBondContact O-N 3.2Å
202F87.9Confident87.7Confident155 Ų15576.8 Ų76.868%0.6838%0.379SS*.Hα-helixtrans-61.7-43.7175.5-178.8-95.5000111.5G198 F200 H204 M205 A206G198-F202 WeakPolarHBondContact O-CB 3.35Å; G198-F202 PolarHBondContact O-N 3.25Å; F200-F202 VanDerWaalsContact C-N 3.35Å; F200-F202 PolarHBondContact O-N 3.22Å; F202-H204 VanDerWaalsContact C-N 3.32Å; F202-H204 PolarHBondContact O-N 3.39Å; F202-M205 PolarHBondContact O-N 3.3Å; F202-A206 WeakPolarHBondContact O-CB 3.15Å; F202-A206 PolarHBondContact O-N 3.18Å
203K91.7Very high88.1Confident41 Ų4175.2 Ų75.218%0.17838%0.376CS..Hα-helixtrans-59.2-43.7174.3-178.460.4-177.9175.30111.5D199 F200 A206 V207 E223D199-K203 PolarHBondContact O-N 2.97Å; F200-K203 PolarHBondContact O-N 2.9Å; K203-A206 PolarHBondContact O-N 3.5Å; K203-V207 WeakPolarHBondContact O-CG2 3.46Å; K203-V207 PolarHBondContact O-N 2.97Å; K203-E223 WeakPolarHBondContact CE-OE2 3.35Å; K203-E223 VanDerWaalsContact NZ-CD 3.27Å; K203-E223 IonicContact NZ-OE1 3.95Å; K203-E223 PolarHBondContact NZ-OE1 2.96Å; K203-E223 VanDerWaalsContact NZ-OE1 3.14Å; K203-E223 IonicContact NZ-OE2 3.54Å; K203-E223 PolarHBondContact NZ-OE2 3.43Å
204H91.8Very high88.3Confident91 Ų9175.2 Ų75.242%0.42138%0.377SS..Hα-helixtrans-62.1-42.7174.9-96.5-73.7000113.3F200 R201 F202 A206 V207 R208F200-H204 AromaticContact CD2-CD2 3.93Å; F200-H204 AromaticContact CE1-CD2 3.56Å; F200-H204 AromaticContact CE1-NE2 3.74Å; F200-H204 AromaticContact CE2-CD2 3.4Å; F200-H204 VanDerWaalsContact CE2-CD2 3.4Å; F200-H204 WeakPolarHBondContact CE2-CD2 3.41Å; F200-H204 AromaticContact CE2-NE2 3.31Å; F200-H204 VanDerWaalsContact CE2-NE2 3.31Å; F200-H204 WeakPolarHBondContact CE2-NE2 3.47Å; F200-H204 AromaticContact CZ-CD2 3.21Å; F200-H204 WeakPolarHBondContact CZ-CD2 3.48Å; F200-H204 AromaticContact CZ-NE2 2.98Å; F200-H204 WeakPolarHBondContact CZ-NE2 3.31Å; F200-H204 PolarHBondContact O-N 3.26Å; R201-H204 WeakPolarHBondContact O-CB 3.24Å; R201-H204 PolarHBondContact O-N 2.89Å; F202-H204 VanDerWaalsContact C-N 3.32Å; F202-H204 PolarHBondContact O-N 3.39Å; H204-A206 VanDerWaalsContact C-N 3.34Å; H204-V207 PolarHBondContact O-N 2.95Å; H204-R208 PolarHBondContact O-N 3.48Å
205M88.8Confident88.9Confident104 Ų10475.9 Ų75.951%0.51239%0.391SS..Hα-helixtrans-62.3-41.9174.9-76.6-60.4-59.400111.5R201 F202 V207 R208 S209R201-M205 WeakPolarHBondContact O-CG 3.19Å; R201-M205 PolarHBondContact O-N 3.2Å; F202-M205 PolarHBondContact O-N 3.3Å; M205-V207 PolarHBondContact O-N 3.45Å; M205-R208 PolarHBondContact O-N 3.11Å; M205-S209 WeakPolarHBondContact O-CB 3.28Å; M205-S209 PolarHBondContact O-N 2.67Å; M205-S209 PolarHBondContact O-OG 2.93Å
206A89.2Confident89.4Confident27 Ų2776.4 Ų76.422%0.22339%0.393CS..Hα-helixtrans-63.6-38.8176.300000112.5F202 K203 H204 R208 S209 H210F202-A206 WeakPolarHBondContact O-CB 3.15Å; F202-A206 PolarHBondContact O-N 3.18Å; K203-A206 PolarHBondContact O-N 3.5Å; H204-A206 VanDerWaalsContact C-N 3.34Å; A206-R208 VanDerWaalsContact C-N 3.35Å; A206-S209 PolarHBondContact O-OG 3.41Å; A206-H210 WeakPolarHBondContact O-CB 3.24Å; A206-H210 PolarHBondContact O-N 3.47Å; A206-H210 PolarHBondContact O-ND1 3.21Å
207V91.7Very high89.6Confident40 Ų4082.7 Ų82.724%0.24242%0.417CS..Hα-helixtrans-64.5-40.5173.7171.10000111K203 H204 M205 S211 I214 E223K203-V207 WeakPolarHBondContact O-CG2 3.46Å; K203-V207 PolarHBondContact O-N 2.97Å; H204-V207 PolarHBondContact O-N 2.95Å; M205-V207 PolarHBondContact O-N 3.45Å; V207-S211 VanDerWaalsContact O-CA 3.24Å; V207-S211 WeakPolarHBondContact O-CA 3.31Å; V207-S211 WeakPolarHBondContact O-CB 3.27Å; V207-S211 PolarHBondContact O-N 2.99Å; V207-I214 HydrophobicContact CB-CD1 4.35Å; V207-I214 HydrophobicContact CG1-CD1 4.21Å; V207-I214 HydrophobicContact CG2-CD1 4.41Å; V207-E223 WeakPolarHBondContact CG2-OE2 3.33Å
208R89Confident89.9Confident155 Ų15587.9 Ų87.959%0.58544%0.441SS*.Hα-helixtrans-65.1-51176176.6-178.4157.4180-6.9111.5H204 M205 A206 H210 S211H204-R208 PolarHBondContact O-N 3.48Å; M205-R208 PolarHBondContact O-N 3.11Å; A206-R208 VanDerWaalsContact C-N 3.35Å; R208-H210 VanDerWaalsContact C-N 3.29Å; R208-H210 PolarHBondContact O-N 3.43Å; R208-S211 VanDerWaalsContact O-CB 3.31Å; R208-S211 WeakPolarHBondContact O-CB 3.29Å; R208-S211 PolarHBondContact O-N 2.97Å; R208-S211 PolarHBondContact O-OG 3.28Å
209S84.7Confident90.3Very high72 Ų7287.6 Ų87.650%0.50343%0.433SS..Hα-helixtrans-67.8-27.6-175.767.80000113.2M205 A206M205-S209 WeakPolarHBondContact O-CB 3.28Å; M205-S209 PolarHBondContact O-N 2.67Å; M205-S209 PolarHBondContact O-OG 2.93Å; A206-S209 PolarHBondContact O-OG 3.41Å
210H88Confident90.6Very high108 Ų10890.7 Ų90.750%0.545%0.449SS..THydrogen-bonded Turntrans-109.421.9177.6-53.694.3000112.3A206 R208 E212 A213 I214A206-H210 WeakPolarHBondContact O-CB 3.24Å; A206-H210 PolarHBondContact O-N 3.47Å; A206-H210 PolarHBondContact O-ND1 3.21Å; R208-H210 VanDerWaalsContact C-N 3.29Å; R208-H210 PolarHBondContact O-N 3.43Å; H210-E212 VanDerWaalsContact C-N 3.28Å; H210-E212 PolarHBondContact O-N 3.33Å; H210-A213 PolarHBondContact O-N 2.93Å; H210-I214 HydrophobicContact CB-CD1 4.3Å; H210-I214 WeakPolarHBondContact O-CD1 3.33Å; H210-I214 VanDerWaalsContact O-CG1 3.24Å; H210-I214 WeakPolarHBondContact O-CG1 3.22Å; H210-I214 PolarHBondContact O-N 2.87Å
211S89.8Confident90.6Very high70 Ų7092.6 Ų92.649%0.4947%0.467SS..Hα-helixtrans-58.6-39.7-17455.90000112.7V207 R208 I214 A215V207-S211 VanDerWaalsContact O-CA 3.24Å; V207-S211 WeakPolarHBondContact O-CA 3.31Å; V207-S211 WeakPolarHBondContact O-CB 3.27Å; V207-S211 PolarHBondContact O-N 2.99Å; R208-S211 VanDerWaalsContact O-CB 3.31Å; R208-S211 WeakPolarHBondContact O-CB 3.29Å; R208-S211 PolarHBondContact O-N 2.97Å; R208-S211 PolarHBondContact O-OG 3.28Å; S211-I214 PolarHBondContact O-N 3.05Å; S211-A215 WeakPolarHBondContact O-CB 3.35Å; S211-A215 PolarHBondContact O-N 2.77Å
212E86.6Confident90.8Very high135 Ų13591.8 Ų91.863%0.63147%0.471SS*.Hα-helixtrans-64.5-47.9176-177.3170.4-165.200111.9H210 I214 A215 F216H210-E212 VanDerWaalsContact C-N 3.28Å; H210-E212 PolarHBondContact O-N 3.33Å; E212-I214 PolarHBondContact O-N 2.8Å; E212-A215 WeakPolarHBondContact O-CB 3.37Å; E212-A215 PolarHBondContact O-N 3.31Å; E212-F216 HydrophobicContact CG-CD2 3.74Å; E212-F216 HydrophobicContact CG-CE2 3.46Å; E212-F216 VanDerWaalsContact CG-CE2 3.46Å; E212-F216 WeakPolarHBondContact O-CD2 3.35Å; E212-F216 PolarHBondContact O-N 3.14Å; E212-F216 WeakPolarHBondContact OE1-CE2 3.43Å
213A90Very high91.1Very high39 Ų3986.4 Ų86.432%0.32245%0.448SS..Hα-helixtrans-61.2-44.1176.300000111.7H210 A215 F216 Y217H210-A213 PolarHBondContact O-N 2.93Å; A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.18Å; A213-F216 PolarHBondContact O-N 3.43Å; A213-Y217 WeakPolarHBondContact O-CD2 3.46Å; A213-Y217 PolarHBondContact O-N 3.42Å
214I91.9Very high91.2Very high27 Ų2790.5 Ų90.514%0.13847%0.465CS..Hα-helixtrans-59.8-41.1176.5-67163.2000110.8V207 H210 S211 E212 Y217 H218 S219 E223V207-I214 HydrophobicContact CB-CD1 4.35Å; V207-I214 HydrophobicContact CG1-CD1 4.21Å; V207-I214 HydrophobicContact CG2-CD1 4.41Å; H210-I214 HydrophobicContact CB-CD1 4.3Å; H210-I214 WeakPolarHBondContact O-CD1 3.33Å; H210-I214 VanDerWaalsContact O-CG1 3.24Å; H210-I214 WeakPolarHBondContact O-CG1 3.22Å; H210-I214 PolarHBondContact O-N 2.87Å; S211-I214 PolarHBondContact O-N 3.05Å; E212-I214 PolarHBondContact O-N 2.8Å; I214-Y217 PolarHBondContact O-N 3.43Å; I214-H218 PolarHBondContact O-N 3.42Å; I214-H218 VanDerWaalsContact O-N 3.08Å; I214-S219 PolarHBondContact O-N 3.33Å; I214-E223 HydrophobicContact CD1-CG 3.87Å; I214-E223 HydrophobicContact CG1-CG 3.97Å; I214-E223 HydrophobicContact CG2-CB 4.35Å; I214-E223 HydrophobicContact CG2-CG 3.88Å
215A92.5Very high91.4Very high64 Ų6491.1 Ų91.153%0.52947%0.471SS..Hα-helixtrans-66-44.5176.500000111.9S211 E212 A213 Y217 H218S211-A215 WeakPolarHBondContact O-CB 3.35Å; S211-A215 PolarHBondContact O-N 2.77Å; E212-A215 WeakPolarHBondContact O-CB 3.37Å; E212-A215 PolarHBondContact O-N 3.31Å; A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.18Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-Y217 PolarHBondContact O-N 2.83Å; A215-H218 PolarHBondContact O-N 2.66Å
216F93.4Very high91.7Very high148 Ų14890.8 Ų90.865%0.64947%0.467SS*.Hα-helixtrans-58.8-44.2175.1-84.6-64.3000112.3E212 A213 H218E212-F216 HydrophobicContact CG-CD2 3.74Å; E212-F216 HydrophobicContact CG-CE2 3.46Å; E212-F216 VanDerWaalsContact CG-CE2 3.46Å; E212-F216 WeakPolarHBondContact O-CD2 3.35Å; E212-F216 PolarHBondContact O-N 3.14Å; E212-F216 WeakPolarHBondContact OE1-CE2 3.43Å; A213-F216 PolarHBondContact O-N 3.43Å; F216-H218 PolarHBondContact O-N 2.83Å; F216-H218 PolarHBondContact O-ND1 3.48Å; F216-H218 VanDerWaalsContact O-ND1 3.11Å
217Y93.9Very high92Very high185 Ų18590.4 Ų90.473%0.72546%0.462SS*.THydrogen-bonded Turntrans-77.9-0.6177.1-67.7-63.2000114A213 I214 A215 S219A213-Y217 WeakPolarHBondContact O-CD2 3.46Å; A213-Y217 PolarHBondContact O-N 3.42Å; I214-Y217 PolarHBondContact O-N 3.43Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-Y217 PolarHBondContact O-N 2.83Å; Y217-S219 WeakPolarHBondContact CB-OG 3.3Å; Y217-S219 PolarHBondContact O-N 3.42Å; Y217-S219 VanDerWaalsContact O-N 3.1Å; Y217-S219 PolarHBondContact O-OG 2.93Å; Y217-S219 VanDerWaalsContact O-OG 3.12Å
218H92.1Very high92.3Very high154 Ų15492.7 Ų92.771%0.71347%0.47SS*.THydrogen-bonded Turntrans46.140.9-174.8-61.977.4000112.3I214 A215 F216I214-H218 PolarHBondContact O-N 3.42Å; I214-H218 VanDerWaalsContact O-N 3.08Å; A215-H218 PolarHBondContact O-N 2.66Å; F216-H218 PolarHBondContact O-N 2.83Å; F216-H218 PolarHBondContact O-ND1 3.48Å; F216-H218 VanDerWaalsContact O-ND1 3.11Å
219S92.7Very high92.6Very high32 Ų3290.3 Ų90.322%0.22447%0.466CS..  trans-9921.6-172.3-680000112.7I214 Y217 S221 L222 E223I214-S219 PolarHBondContact O-N 3.33Å; Y217-S219 WeakPolarHBondContact CB-OG 3.3Å; Y217-S219 PolarHBondContact O-N 3.42Å; Y217-S219 VanDerWaalsContact O-N 3.1Å; Y217-S219 PolarHBondContact O-OG 2.93Å; Y217-S219 VanDerWaalsContact O-OG 3.12Å; S219-S221 VanDerWaalsContact C-N 3.33Å; S219-S221 PolarHBondContact O-N 3.39Å; S219-L222 PolarHBondContact O-N 2.86Å; S219-E223 WeakPolarHBondContact O-CB 3.47Å; S219-E223 WeakPolarHBondContact O-CG 3.49Å; S219-E223 PolarHBondContact O-N 3.45Å
220D92.8Very high93.1Very high110 Ų11091.9 Ų91.959%0.58846%0.461SS*.Hα-helixtrans-58.4-42.2-178.963.6-54.8000112.2K224D220-K224 WeakPolarHBondContact O-CB 3.49Å; D220-K224 PolarHBondContact O-N 2.86Å
221S94.2Very high93.6Very high77 Ų7789.8 Ų89.854%0.53845%0.453SS..Hα-helixtrans-65.7-39.617858.60000113.2S219 L225S219-S221 VanDerWaalsContact C-N 3.33Å; S219-S221 PolarHBondContact O-N 3.39Å; S221-L225 PolarHBondContact O-N 3.29Å; S221-L225 VanDerWaalsContact O-N 3.1Å
222L93.9Very high93.9Very high93 Ų9392.2 Ų92.249%0.48746%0.456SS..Hα-helixtrans-69.3-46.6176.3-73.5172.2000111.2S219 K224 L225 F226S219-L222 PolarHBondContact O-N 2.86Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 3.1Å; L222-L225 WeakPolarHBondContact O-CB 3.39Å; L222-L225 PolarHBondContact O-N 3.48Å; L222-F226 WeakPolarHBondContact O-CD2 3.27Å; L222-F226 PolarHBondContact O-N 2.84Å
223E93.8Very high94.4Very high43 Ų4388.8 Ų88.820%0.20144%0.442CS..Hα-helixtrans-62.7-37.7177.8-78.7-62.8135.200112.1K203 V207 I214 S219 T227K203-E223 WeakPolarHBondContact CE-OE2 3.35Å; K203-E223 VanDerWaalsContact NZ-CD 3.27Å; K203-E223 IonicContact NZ-OE1 3.95Å; K203-E223 PolarHBondContact NZ-OE1 2.96Å; K203-E223 VanDerWaalsContact NZ-OE1 3.14Å; K203-E223 IonicContact NZ-OE2 3.54Å; K203-E223 PolarHBondContact NZ-OE2 3.43Å; V207-E223 WeakPolarHBondContact CG2-OE2 3.33Å; I214-E223 HydrophobicContact CD1-CG 3.87Å; I214-E223 HydrophobicContact CG1-CG 3.97Å; I214-E223 HydrophobicContact CG2-CB 4.35Å; I214-E223 HydrophobicContact CG2-CG 3.88Å; S219-E223 WeakPolarHBondContact O-CB 3.47Å; S219-E223 WeakPolarHBondContact O-CG 3.49Å; S219-E223 PolarHBondContact O-N 3.45Å; E223-T227 VanDerWaalsContact O-CB 3.27Å; E223-T227 WeakPolarHBondContact O-CB 3.49Å; E223-T227 PolarHBondContact O-N 2.6Å; E223-T227 PolarHBondContact O-OG1 3.05Å
224K95.2Very high94.7Very high126 Ų12687.6 Ų87.655%0.54843%0.43SS..Hα-helixtrans-59.2-51.1170.6179.6179.3173-177.90111.6D220 L222 F226 T227 E228D220-K224 WeakPolarHBondContact O-CB 3.49Å; D220-K224 PolarHBondContact O-N 2.86Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 3.1Å; K224-F226 PolarHBondContact O-N 3.21Å; K224-T227 PolarHBondContact O-N 3.23Å; K224-T227 VanDerWaalsContact O-N 3.15Å; K224-E228 WeakPolarHBondContact CE-OE1 3.36Å; K224-E228 HydrophobicContact CG-CG 4.28Å; K224-E228 IonicContact NZ-OE1 2.68Å; K224-E228 WeakPolarHBondContact O-CB 3.21Å; K224-E228 WeakPolarHBondContact O-CG 3.44Å; K224-E228 PolarHBondContact O-N 2.95Å
225L96.1Very high95Very high104 Ų10490.5 Ų90.555%0.54545%0.446SS..Hα-helixtrans-56.9-47.3179.8-179.770.7000112S221 L222 T227 E228 Q229S221-L225 PolarHBondContact O-N 3.29Å; S221-L225 VanDerWaalsContact O-N 3.1Å; L222-L225 WeakPolarHBondContact O-CB 3.39Å; L222-L225 PolarHBondContact O-N 3.48Å; L225-T227 VanDerWaalsContact C-N 3.33Å; L225-T227 PolarHBondContact O-N 2.93Å; L225-E228 PolarHBondContact O-N 3.05Å; L225-Q229 WeakPolarHBondContact O-CB 3.38Å; L225-Q229 PolarHBondContact O-N 3.04Å
226F94.6Very high95.2Very high97 Ų9792.7 Ų92.743%0.42545%0.448SS..Hα-helixtrans-66.9-34.7178.5-70.6-59.7000112.7L222 K224 R230L222-F226 WeakPolarHBondContact O-CD2 3.27Å; L222-F226 PolarHBondContact O-N 2.84Å; K224-F226 PolarHBondContact O-N 3.21Å; F226-R230 WeakPolarHBondContact O-CG 3.34Å; F226-R230 PolarHBondContact O-N 3.47Å
227T95.3Very high95.2Very high20 Ų2086 Ų8612%0.12342%0.42CS..Hα-helixtrans-70.2-43.1176.8-57.50000111.2F200 E223 K224 L225 Q229 R230 L231F200-T227 HydrophobicContact CE2-CG2 3.91Å; E223-T227 VanDerWaalsContact O-CB 3.27Å; E223-T227 WeakPolarHBondContact O-CB 3.49Å; E223-T227 PolarHBondContact O-N 2.6Å; E223-T227 PolarHBondContact O-OG1 3.05Å; K224-T227 PolarHBondContact O-N 3.23Å; K224-T227 VanDerWaalsContact O-N 3.15Å; L225-T227 VanDerWaalsContact C-N 3.33Å; L225-T227 PolarHBondContact O-N 2.93Å; T227-Q229 PolarHBondContact O-N 3.41Å; T227-R230 PolarHBondContact O-N 3.48Å; T227-R230 VanDerWaalsContact O-N 3.16Å; T227-L231 PolarHBondContact O-N 3.34Å
228E96.9Very high95.3Very high88 Ų8881.4 Ų81.441%0.41141%0.406SS..Hα-helixtrans-60.8-42.6174-75.7177.9164.400111.3K224 L225 R230 L231 E232K224-E228 WeakPolarHBondContact CE-OE1 3.36Å; K224-E228 HydrophobicContact CG-CG 4.28Å; K224-E228 IonicContact NZ-OE1 2.68Å; K224-E228 WeakPolarHBondContact O-CB 3.21Å; K224-E228 WeakPolarHBondContact O-CG 3.44Å; K224-E228 PolarHBondContact O-N 2.95Å; L225-E228 PolarHBondContact O-N 3.05Å; E228-R230 VanDerWaalsContact C-N 3.28Å; E228-R230 PolarHBondContact O-N 3.04Å; E228-L231 CarbonylContact O-C 3.57Å; E228-L231 WeakPolarHBondContact O-CA 3.4Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.8Å; E228-L231 VanDerWaalsContact O-N 3.09Å; E228-E232 WeakPolarHBondContact O-CG 3.36Å; E228-E232 PolarHBondContact O-N 3.38Å
229Q96.5Very high95.5Very high104 Ų10479.1 Ų79.149%0.48640%0.395SS..Hα-helixtrans-59.2-38.3174.9-169-174.318.600112.3L225 T227 N233L225-Q229 WeakPolarHBondContact O-CB 3.38Å; L225-Q229 PolarHBondContact O-N 3.04Å; T227-Q229 PolarHBondContact O-N 3.41Å; Q229-N233 PolarHBondContact O-N 3.36Å; Q229-N233 PolarHBondContact O-ND2 3.02Å
230R95Very high95.5Very high106 Ų10683.4 Ų83.440%0.441%0.41SS..Hα-helixtrans-70.5-38.3175.5-67.1-69.3178159.21.1111.5D199 F200 F226 T227 E228 N233 L234D199-R230 IonicContact OD2-NH1 3.97Å; D199-R230 PolarHBondContact OD2-NH1 3.26Å; F200-R230 HydrophobicContact CD2-CB 4.16Å; F226-R230 WeakPolarHBondContact O-CG 3.34Å; F226-R230 PolarHBondContact O-N 3.47Å; T227-R230 PolarHBondContact O-N 3.48Å; T227-R230 VanDerWaalsContact O-N 3.16Å; E228-R230 VanDerWaalsContact C-N 3.28Å; E228-R230 PolarHBondContact O-N 3.04Å; R230-N233 PolarHBondContact O-N 3.48Å; R230-L234 PolarHBondContact O-N 3.05Å
231L97.7Very high95.4Very high64 Ų6478.2 Ų78.234%0.33538%0.382SS..Hα-helixtrans-62.8-46.8174.3-178.259000111.8F200 T227 E228 N233 L234 L235F200-L231 HydrophobicContact CD2-CB 4.11Å; F200-L231 HydrophobicContact CE1-CD1 4.25Å; F200-L231 HydrophobicContact CE2-CB 3.69Å; F200-L231 HydrophobicContact CE2-CD1 4.03Å; F200-L231 HydrophobicContact CE2-CG 4.33Å; F200-L231 HydrophobicContact CZ-CB 4.33Å; F200-L231 HydrophobicContact CZ-CD1 3.83Å; F200-L231 HydrophobicContact CZ-CG 4.49Å; T227-L231 PolarHBondContact O-N 3.34Å; E228-L231 CarbonylContact O-C 3.57Å; E228-L231 WeakPolarHBondContact O-CA 3.4Å; E228-L231 WeakPolarHBondContact O-CB 3.44Å; E228-L231 PolarHBondContact O-N 2.8Å; E228-L231 VanDerWaalsContact O-N 3.09Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.3Å; L231-L234 CarbonylContact O-C 3.58Å; L231-L234 WeakPolarHBondContact O-CA 2.8Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.49Å; L231-L235 HydrophobicContact CD1-CD1 4.45Å; L231-L235 HydrophobicContact CD1-CG 4.27Å; L231-L235 HydrophobicContact CG-CD1 4.11Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 3.14Å
232E97.7Very high95.3Very high121 Ų12178 Ų7857%0.56538%0.378SS*.Hα-helixtrans-59.9-41.4176.8-74.2-176.8172.500111.9E228 L234 L235 N236E228-E232 WeakPolarHBondContact O-CG 3.36Å; E228-E232 PolarHBondContact O-N 3.38Å; E232-L234 VanDerWaalsContact C-N 3.29Å; E232-L234 PolarHBondContact O-N 3.09Å; E232-L235 PolarHBondContact O-N 3.4Å; E232-N236 WeakPolarHBondContact O-CB 3.2Å; E232-N236 VanDerWaalsContact O-CG 3.24Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.07Å; E232-N236 VanDerWaalsContact O-ND2 3.16Å
233N96.2Very high95.2Very high62 Ų6278.2 Ų78.233%0.33238%0.379SS..Hα-helixtrans-61.2-38.3174.3-78.6-53.4000112.6K196 Q229 R230 L231 A237K196-N233 HydrophobicContact CD-CB 4.29Å; Q229-N233 PolarHBondContact O-N 3.36Å; Q229-N233 PolarHBondContact O-ND2 3.02Å; R230-N233 PolarHBondContact O-N 3.48Å; L231-N233 VanDerWaalsContact C-N 3.31Å; L231-N233 PolarHBondContact O-N 3.3Å; N233-A237 PolarHBondContact O-N 3.19Å
234L97.2Very high95Very high14 Ų1480.6 Ų80.67%0.07339%0.386CS..Hα-helixtrans-67-48.1173.7171.459.4000111.2Q193 K196 E197 F200 R230 L231 E232 N236 A237 Q238Q193-L234 HydrophobicContact CG-CD1 4.08Å; K196-L234 HydrophobicContact CB-CB 4.25Å; K196-L234 HydrophobicContact CB-CD1 4.15Å; E197-L234 HydrophobicContact CB-CD1 3.87Å; E197-L234 HydrophobicContact CB-CD2 4.44Å; E197-L234 HydrophobicContact CG-CD2 4.49Å; F200-L234 HydrophobicContact CB-CD2 4.24Å; F200-L234 HydrophobicContact CD1-CD2 3.97Å; F200-L234 HydrophobicContact CG-CD2 4.22Å; R230-L234 PolarHBondContact O-N 3.05Å; L231-L234 CarbonylContact O-C 3.58Å; L231-L234 WeakPolarHBondContact O-CA 2.8Å; L231-L234 WeakPolarHBondContact O-CB 3.31Å; L231-L234 PolarHBondContact O-N 3.49Å; E232-L234 VanDerWaalsContact C-N 3.29Å; E232-L234 PolarHBondContact O-N 3.09Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.33Å; L234-A237 WeakPolarHBondContact O-CB 3.31Å; L234-A237 PolarHBondContact O-N 3.16Å; L234-A237 VanDerWaalsContact O-N 3.12Å; L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 2.92Å
235L97.5Very high94.7Very high89 Ų8980 Ų8047%0.46638%0.38SS..Hα-helixtrans-61.1-40.5179-69175.8000111.8L231 E232 A237 Q238 Q239L231-L235 HydrophobicContact CD1-CD1 4.45Å; L231-L235 HydrophobicContact CD1-CG 4.27Å; L231-L235 HydrophobicContact CG-CD1 4.11Å; L231-L235 HydrophobicContact CG-CG 4.36Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 3.14Å; E232-L235 PolarHBondContact O-N 3.4Å; L235-A237 PolarHBondContact O-N 3.24Å; L235-Q238 PolarHBondContact O-N 3.02Å; L235-Q239 WeakPolarHBondContact O-CB 3.29Å; L235-Q239 PolarHBondContact O-N 3.47Å
236N97Very high94.4Very high109 Ų10983 Ų8358%0.58339%0.39SS*.Hα-helixtrans-62.9-40.8174.5-74.9-32.3000112.1E232 L234 K240E232-N236 WeakPolarHBondContact O-CB 3.2Å; E232-N236 VanDerWaalsContact O-CG 3.24Å; E232-N236 PolarHBondContact O-N 3.3Å; E232-N236 PolarHBondContact O-ND2 3.07Å; E232-N236 VanDerWaalsContact O-ND2 3.16Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.33Å; N236-K240 PolarHBondContact O-N 3.41Å; N236-K240 VanDerWaalsContact O-N 3.16Å
237A93.8Very high94.1Very high7 Ų782.1 Ų82.16%0.05839%0.389CS..Hα-helixtrans-66.4-40.6174.500000111.7Q193 K196 N233 L234 L235 K240 L241Q193-A237 HydrophobicContact CB-CB 4.48Å; K196-A237 HydrophobicContact CG-CB 4.24Å; N233-A237 PolarHBondContact O-N 3.19Å; L234-A237 WeakPolarHBondContact O-CB 3.31Å; L234-A237 PolarHBondContact O-N 3.16Å; L234-A237 VanDerWaalsContact O-N 3.12Å; L235-A237 PolarHBondContact O-N 3.24Å; A237-K240 PolarHBondContact O-N 3.29Å; A237-L241 PolarHBondContact O-N 3.48Å
238Q95Very high93.6Very high89 Ų8982.1 Ų82.142%0.41639%0.388SS..Hα-helixtrans-66.9-43.1177.6-172.3175.9-7.100111.9L234 L235 K240 L241 V242L234-Q238 WeakPolarHBondContact O-CB 3.47Å; L234-Q238 PolarHBondContact O-N 2.92Å; L235-Q238 PolarHBondContact O-N 3.02Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.05Å; Q238-L241 WeakPolarHBondContact O-CB 3.32Å; Q238-L241 PolarHBondContact O-N 3.39Å; Q238-L241 VanDerWaalsContact O-N 3.13Å; Q238-V242 WeakPolarHBondContact O-CG2 3.49Å; Q238-V242 PolarHBondContact O-N 2.87Å
239Q96Very high93.1Very high106 Ų10682.5 Ų82.550%0.49539%0.393SS..Hα-helixtrans-60.3-44175.8-175.66246.400111.3L235 L241 V242 N243L235-Q239 WeakPolarHBondContact O-CB 3.29Å; L235-Q239 PolarHBondContact O-N 3.47Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; Q239-L241 PolarHBondContact O-N 3.42Å; Q239-V242 PolarHBondContact O-N 3.15Å; Q239-N243 PolarHBondContact NE2-OD1 3.39Å; Q239-N243 VanDerWaalsContact NE2-OD1 3.09Å; Q239-N243 PolarHBondContact O-N 3.19Å; Q239-N243 PolarHBondContact O-OD1 2.97Å
240K93.7Very high92.8Very high122 Ų12279.5 Ų79.553%0.5339%0.39SS..Hα-helixtrans-60.8-40.3175.5-168175.3-175.3171.70111.5N236 A237 Q238 W244N236-K240 PolarHBondContact O-N 3.41Å; N236-K240 VanDerWaalsContact O-N 3.16Å; A237-K240 PolarHBondContact O-N 3.29Å; Q238-K240 VanDerWaalsContact C-N 3.33Å; Q238-K240 PolarHBondContact O-N 3.05Å; K240-W244 VanDerWaalsContact O-CD1 3.25Å; K240-W244 PolarHBondContact O-N 3.04Å
241L89.4Confident92.5Very high2 Ų276.2 Ų76.21%0.0138%0.382CS..Hα-helixtrans-64.6-44.2175.2176.662.7000112.2V186 C189 V190 Q193 A237 Q238 Q239 N243 W244 R245V186-L241 HydrophobicContact CG1-CD1 3.9Å; C189-L241 HydrophobicContact CB-CB 4.07Å; C189-L241 HydrophobicContact CB-CD1 3.83Å; V190-L241 HydrophobicContact CG2-CD1 3.53Å; V190-L241 HydrophobicContact CG2-CD2 4.02Å; V190-L241 HydrophobicContact CG2-CG 4.45Å; Q193-L241 HydrophobicContact CB-CD2 4.45Å; A237-L241 PolarHBondContact O-N 3.48Å; Q238-L241 WeakPolarHBondContact O-CB 3.32Å; Q238-L241 PolarHBondContact O-N 3.39Å; Q238-L241 VanDerWaalsContact O-N 3.13Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; Q239-L241 PolarHBondContact O-N 3.42Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.92Å; L241-W244 PolarHBondContact O-N 3.03Å; L241-R245 HydrophobicContact CD1-CG 4.06Å; L241-R245 HydrophobicContact CG-CG 4.28Å; L241-R245 WeakPolarHBondContact O-CB 3.41Å; L241-R245 WeakPolarHBondContact O-CG 3.45Å; L241-R245 PolarHBondContact O-N 2.84Å
242V92.7Very high91.9Very high73 Ų7374.1 Ų74.144%0.44237%0.372SS..Hα-helixtrans-58.7-44.4177.9170.50000110.9Q238 Q239 W244 R245 F246Q238-V242 WeakPolarHBondContact O-CG2 3.49Å; Q238-V242 PolarHBondContact O-N 2.87Å; Q239-V242 PolarHBondContact O-N 3.15Å; V242-W244 VanDerWaalsContact C-N 3.34Å; V242-W244 PolarHBondContact O-N 3.03Å; V242-R245 PolarHBondContact O-N 2.86Å; V242-F246 WeakPolarHBondContact O-CB 3.47Å; V242-F246 PolarHBondContact O-N 2.7Å
243N92.8Very high91.4Very high96 Ų9672.4 Ų72.451%0.51337%0.366SS..Hα-helixtrans-61.3-41.3177.9-66.9-3.7000112.3Q239 L241 L247Q239-N243 PolarHBondContact NE2-OD1 3.39Å; Q239-N243 VanDerWaalsContact NE2-OD1 3.09Å; Q239-N243 PolarHBondContact O-N 3.19Å; Q239-N243 PolarHBondContact O-OD1 2.97Å; L241-N243 VanDerWaalsContact C-N 3.32Å; L241-N243 PolarHBondContact O-N 2.92Å; N243-L247 PolarHBondContact O-N 3.26Å
244W88.4Confident91.1Very high93 Ų9376.1 Ų76.135%0.35238%0.38SS..Hα-helixtrans-72.4-36176.3-80.4111.4000113.1P185 V186 C189 K240 L241 V242 F246 L247 L248P185-W244 HydrophobicContact CB-CD2 3.61Å; P185-W244 HydrophobicContact CB-CE3 3.7Å; P185-W244 HydrophobicContact CB-CG 4.23Å; P185-W244 HydrophobicContact CB-CH2 3.91Å; P185-W244 HydrophobicContact CB-CZ2 3.82Å; P185-W244 HydrophobicContact CB-CZ3 3.86Å; P185-W244 HydrophobicContact CG-CD2 3.82Å; P185-W244 HydrophobicContact CG-CE3 3.35Å; P185-W244 HydrophobicContact CG-CH2 3.9Å; P185-W244 HydrophobicContact CG-CZ2 4.31Å; P185-W244 HydrophobicContact CG-CZ3 3.41Å; P185-W244 VanDerWaalsContact CG-CZ3 3.41Å; V186-W244 HydrophobicContact CG2-CB 3.85Å; C189-W244 VanDerWaalsContact SG-CD1 3.53Å; K240-W244 VanDerWaalsContact O-CD1 3.25Å; K240-W244 PolarHBondContact O-N 3.04Å; L241-W244 PolarHBondContact O-N 3.03Å; V242-W244 VanDerWaalsContact C-N 3.34Å; V242-W244 PolarHBondContact O-N 3.03Å; W244-F246 VanDerWaalsContact C-N 3.32Å; W244-L247 HydrophobicContact CZ3-CD1 4.35Å; W244-L247 PolarHBondContact O-N 3.41Å; W244-L248 PolarHBondContact O-N 2.79Å
245R88.6Confident90.6Very high113 Ų11375.8 Ų75.843%0.42638%0.378SS..Hα-helixtrans-64.4-37.5173.4-77.5-178.4174.7-177.7-0.1111.8V186 L241 V242 L247 L248 N249V186-R245 HydrophobicContact CG1-CG 4.28Å; L241-R245 HydrophobicContact CD1-CG 4.06Å; L241-R245 HydrophobicContact CG-CG 4.28Å; L241-R245 WeakPolarHBondContact O-CB 3.41Å; L241-R245 WeakPolarHBondContact O-CG 3.45Å; L241-R245 PolarHBondContact O-N 2.84Å; V242-R245 PolarHBondContact O-N 2.86Å; R245-L247 VanDerWaalsContact C-N 3.35Å; R245-L247 PolarHBondContact O-N 3.18Å; R245-L248 PolarHBondContact O-N 2.97Å; R245-N249 WeakPolarHBondContact O-CB 3.49Å; R245-N249 VanDerWaalsContact O-CG 3.24Å; R245-N249 PolarHBondContact O-N 2.85Å
246F90.4Very high90Very high168 Ų16874 Ų7474%0.73737%0.37SS*.Hα-helixtrans-58.5-46.8173.8176.5-96.6000111.4V242 W244 N249 G250V242-F246 WeakPolarHBondContact O-CB 3.47Å; V242-F246 PolarHBondContact O-N 2.7Å; W244-F246 VanDerWaalsContact C-N 3.32Å; F246-N249 PolarHBondContact O-N 2.98Å; F246-G250 PolarHBondContact O-N 2.87Å
247L88.3Confident89.7Confident78 Ų7877 Ų7741%0.40837%0.373SS..Hα-helixtrans-63.5-44.7176.3-173.8148.7000112A182 N243 W244 R245 G250 V251A182-L247 HydrophobicContact CB-CD2 4.33Å; N243-L247 PolarHBondContact O-N 3.26Å; W244-L247 HydrophobicContact CZ3-CD1 4.35Å; W244-L247 PolarHBondContact O-N 3.41Å; R245-L247 VanDerWaalsContact C-N 3.35Å; R245-L247 PolarHBondContact O-N 3.18Å; L247-G250 PolarHBondContact O-N 2.83Å; L247-V251 HydrophobicContact CD2-CG2 4.17Å; L247-V251 WeakPolarHBondContact O-CG2 3.22Å; L247-V251 PolarHBondContact O-N 2.87Å
248L85.2Confident89.6Confident21 Ų2180.3 Ų80.311%0.1139%0.387CS..Hα-helixtrans-58.9-51.1176.8179.364.6000111.2A182 V186 W244 R245 G250 V251 T252A182-L248 HydrophobicContact CB-CD1 3.72Å; V186-L248 HydrophobicContact CG2-CB 4.26Å; V186-L248 HydrophobicContact CG2-CD2 4.14Å; W244-L248 PolarHBondContact O-N 2.79Å; R245-L248 PolarHBondContact O-N 2.97Å; L248-G250 VanDerWaalsContact C-N 3.28Å; L248-G250 PolarHBondContact O-N 3.1Å; L248-V251 PolarHBondContact O-N 3.36Å; L248-V251 VanDerWaalsContact O-N 3.13Å; L248-T252 PolarHBondContact O-N 3.48Å; L248-T252 PolarHBondContact O-OG1 3.48Å
249N86.8Confident89.4Confident95 Ų9576 Ų7651%0.50837%0.367SS..Hα-helixtrans-59.3-39.8178-71.7-12.5000111.8R245 F246 T252 N253R245-N249 WeakPolarHBondContact O-CB 3.49Å; R245-N249 VanDerWaalsContact O-CG 3.24Å; R245-N249 PolarHBondContact O-N 2.85Å; F246-N249 PolarHBondContact O-N 2.98Å; N249-T252 PolarHBondContact O-N 3.36Å; N249-N253 VanDerWaalsContact O-CB 3.27Å; N249-N253 WeakPolarHBondContact O-CB 3.23Å; N249-N253 PolarHBondContact O-N 2.98Å; N249-N253 PolarHBondContact O-ND2 2.64Å
250G89.7Confident89Confident42 Ų4273.1 Ų73.143%0.43336%0.358SS..Hα-helixtrans-60.7-45.5175.100000112.5F246 L247 L248 F254F246-G250 PolarHBondContact O-N 2.87Å; L247-G250 PolarHBondContact O-N 2.83Å; L248-G250 VanDerWaalsContact C-N 3.28Å; L248-G250 PolarHBondContact O-N 3.1Å; G250-F254 WeakPolarHBondContact O-CB 3.17Å; G250-F254 PolarHBondContact O-N 3.41Å
251V88Confident89Confident37 Ų3771.8 Ų71.822%0.22436%0.356CS..Hα-helixtrans-64.6-46.9176.8168.80000111.7I178 A182 L247 L248 F254 V255I178-V251 HydrophobicContact CG2-CG1 3.47Å; I178-V251 VanDerWaalsContact CG2-CG1 3.47Å; A182-V251 HydrophobicContact CB-CG1 4.47Å; L247-V251 HydrophobicContact CD2-CG2 4.17Å; L247-V251 WeakPolarHBondContact O-CG2 3.22Å; L247-V251 PolarHBondContact O-N 2.87Å; L248-V251 PolarHBondContact O-N 3.36Å; L248-V251 VanDerWaalsContact O-N 3.13Å; V251-F254 PolarHBondContact O-N 2.88Å; V251-V255 WeakPolarHBondContact O-CG2 3.48Å; V251-V255 PolarHBondContact O-N 3.49Å
252T84.5Confident89.1Confident20 Ų2072.7 Ų72.712%0.12336%0.361CS..Hα-helixtrans-63-46.5179.9-530000111.2N179 L248 N249 F254 V255 D256N179-T252 PolarHBondContact OD1-OG1 3.43Å; N179-T252 VanDerWaalsContact OD1-OG1 3.07Å; L248-T252 PolarHBondContact O-N 3.48Å; L248-T252 PolarHBondContact O-OG1 3.48Å; N249-T252 PolarHBondContact O-N 3.36Å; T252-F254 PolarHBondContact O-N 3.19Å; T252-V255 WeakPolarHBondContact O-CB 3.35Å; T252-V255 PolarHBondContact O-N 3.4Å; T252-D256 PolarHBondContact O-N 3.45Å
253N88.1Confident89.1Confident85 Ų8569.3 Ų69.346%0.45534%0.341SS..Hα-helixtrans-62.4-41176.1-72-18.5000112.2N249 V255 D256 Y257N249-N253 VanDerWaalsContact O-CB 3.27Å; N249-N253 WeakPolarHBondContact O-CB 3.23Å; N249-N253 PolarHBondContact O-N 2.98Å; N249-N253 PolarHBondContact O-ND2 2.64Å; N253-V255 VanDerWaalsContact C-N 3.33Å; N253-V255 PolarHBondContact O-N 3.27Å; N253-D256 PolarHBondContact O-N 3.23Å; N253-Y257 HydrophobicContact CB-CD2 4.41Å; N253-Y257 HydrophobicContact CB-CE2 4.27Å; N253-Y257 WeakPolarHBondContact O-CD2 3.25Å; N253-Y257 PolarHBondContact O-N 3.4Å
254F90.2Very high89.1Confident140 Ų14071.3 Ų71.361%0.61434%0.342SS*.Hα-helixtrans-60-45.6176.6175.7-94.9000111.2G250 V251 T252 F258G250-F254 WeakPolarHBondContact O-CB 3.17Å; G250-F254 PolarHBondContact O-N 3.41Å; V251-F254 PolarHBondContact O-N 2.88Å; T252-F254 PolarHBondContact O-N 3.19Å; F254-F258 HydrophobicContact CZ-CD2 4.33Å; F254-F258 WeakPolarHBondContact O-CB 3.2Å; F254-F258 PolarHBondContact O-N 3.07Å
255V87.2Confident89.3Confident7 Ų771 Ų714%0.04235%0.345CS..Hα-helixtrans-55.3-57.6173.8164.90000109.2Y171 S175 V251 T252 N253 Y257 F258 G259Y171-V255 HydrophobicContact CE2-CG1 4.5Å; Y171-V255 WeakPolarHBondContact OH-CG1 3.08Å; Y171-V255 PolarHBondContact OH-O 3.24Å; S175-V255 WeakPolarHBondContact OG-CG1 3.39Å; V251-V255 WeakPolarHBondContact O-CG2 3.48Å; V251-V255 PolarHBondContact O-N 3.49Å; T252-V255 WeakPolarHBondContact O-CB 3.35Å; T252-V255 PolarHBondContact O-N 3.4Å; N253-V255 VanDerWaalsContact C-N 3.33Å; N253-V255 PolarHBondContact O-N 3.27Å; V255-Y257 PolarHBondContact O-N 3.14Å; V255-F258 WeakPolarHBondContact O-CB 3.26Å; V255-F258 PolarHBondContact O-N 3.47Å; V255-G259 PolarHBondContact O-N 3.19Å
256D84Confident89.5Confident52 Ų5265.7 Ų65.728%0.27833%0.325SS..Hα-helixtrans-56.9-45.6-175.1-69.6-25.6000113.4T252 N253 G259 S304T252-D256 PolarHBondContact O-N 3.45Å; N253-D256 PolarHBondContact O-N 3.23Å; D256-G259 PolarHBondContact O-N 3.27Å; D256-S304 WeakPolarHBondContact OD1-CB 3.12Å; D256-S304 PolarHBondContact OD1-OG 2.94Å
257Y90.4Very high89.5Confident170 Ų17058 Ų5867%0.66729%0.292SS*.Hα-helixtrans-68.7-36.7177.4-69.6-56.7000112.6N253 V255 G259 S260N253-Y257 HydrophobicContact CB-CD2 4.41Å; N253-Y257 HydrophobicContact CB-CE2 4.27Å; N253-Y257 WeakPolarHBondContact O-CD2 3.25Å; N253-Y257 PolarHBondContact O-N 3.4Å; V255-Y257 PolarHBondContact O-N 3.14Å; Y257-G259 PolarHBondContact O-N 2.96Å; Y257-S260 WeakPolarHBondContact O-CB 3.14Å; Y257-S260 PolarHBondContact O-N 3.12Å; Y257-S260 VanDerWaalsContact O-N 3.12Å; Y257-S260 PolarHBondContact O-OG 3.37Å
258F91.9Very high89.6Confident77 Ų7756.4 Ų56.434%0.33829%0.287SS..Hα-helixtrans-62.6-32.2175-170-90.8000111.9Y171 F254 V255 S260 I261 L262 M265Y171-F258 HydrophobicContact CD2-CD1 4.2Å; Y171-F258 AromaticContact CE2-CD1 3.75Å; Y171-F258 HydrophobicContact CE2-CD1 3.75Å; Y171-F258 HydrophobicContact CE2-CE1 4.49Å; F254-F258 HydrophobicContact CZ-CD2 4.33Å; F254-F258 WeakPolarHBondContact O-CB 3.2Å; F254-F258 PolarHBondContact O-N 3.07Å; V255-F258 WeakPolarHBondContact O-CB 3.26Å; V255-F258 PolarHBondContact O-N 3.47Å; F258-S260 PolarHBondContact O-N 2.94Å; F258-I261 PolarHBondContact O-N 2.81Å; F258-L262 PolarHBondContact O-N 2.85Å; F258-M265 HydrophobicContact CE1-CE 4.35Å; F258-M265 HydrophobicContact CZ-CE 4.13Å
259G90.5Very high89.8Confident0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-54.4-37.1173.300000113.3Y171 V255 D256 Y257 L262 S263 I300Y171-G259 PolarHBondContact OH-N 3.21Å; V255-G259 PolarHBondContact O-N 3.19Å; D256-G259 PolarHBondContact O-N 3.27Å; Y257-G259 PolarHBondContact O-N 2.96Å; G259-L262 PolarHBondContact O-N 3.37Å; G259-S263 PolarHBondContact O-N 3.23Å; G259-S263 VanDerWaalsContact O-N 3.08Å; G259-I300 VanDerWaalsContact O-CD1 3.23Å; G259-I300 WeakPolarHBondContact O-CD1 3.21Å
260S88.8Confident89.9Confident45 Ų4552.7 Ų52.732%0.31527%0.267SS..Hα-helixtrans-65.1-40.5175.774.30000112.5Y257 F258 S263 Y264Y257-S260 WeakPolarHBondContact O-CB 3.14Å; Y257-S260 PolarHBondContact O-N 3.12Å; Y257-S260 VanDerWaalsContact O-N 3.12Å; Y257-S260 PolarHBondContact O-OG 3.37Å; F258-S260 PolarHBondContact O-N 2.94Å; S260-S263 WeakPolarHBondContact O-CB 3Å; S260-S263 PolarHBondContact O-N 3.46Å; S260-S263 PolarHBondContact O-OG 2.8Å; S260-Y264 VanDerWaalsContact O-CD2 3.23Å; S260-Y264 WeakPolarHBondContact O-CD2 3.08Å
261I92.7Very high89.8Confident94 Ų9452.4 Ų52.448%0.48226%0.255SS..Hα-helixtrans-67.9-43.7177-58.9174.1000110.2F258 S263 Y264 M265F258-I261 PolarHBondContact O-N 2.81Å; I261-S263 PolarHBondContact O-N 3.4Å; I261-Y264 PolarHBondContact O-N 3.03Å; I261-Y264 VanDerWaalsContact O-N 3.11Å; I261-M265 HydrophobicContact CG2-CE 4.29Å; I261-M265 PolarHBondContact O-N 3.42Å; I261-M265 VanDerWaalsContact O-N 3.08Å
262L93Very high89.9Confident20 Ų2057.3 Ų57.311%0.10528%0.279CS..Hα-helixtrans-56.1-38.7176.1-178.664.6000112Y171 F258 G259 Y264 M265 I266 I300Y171-L262 VanDerWaalsContact CB-CD2 3.45Å; Y171-L262 HydrophobicContact CD1-CD2 3.87Å; Y171-L262 HydrophobicContact CD2-CD2 3.85Å; Y171-L262 HydrophobicContact CG-CD2 3.43Å; Y171-L262 VanDerWaalsContact CG-CD2 3.43Å; F258-L262 PolarHBondContact O-N 2.85Å; G259-L262 PolarHBondContact O-N 3.37Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.12Å; L262-M265 HydrophobicContact CB-CE 4.18Å; L262-M265 HydrophobicContact CD1-CE 3.81Å; L262-M265 PolarHBondContact O-N 3.5Å; L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CD1-CG1 4.46Å; L262-I266 HydrophobicContact CG-CD1 4.05Å; L262-I266 WeakPolarHBondContact O-CG1 3.38Å; L262-I266 PolarHBondContact O-N 3.34Å; L262-I300 HydrophobicContact CD2-CD1 4.32Å
263S92.1Very high90Very high3 Ų361.9 Ų61.92%0.02131%0.307CS..Hα-helixtrans-57.7-43.8177.180.90000112.2G259 S260 I261 I266 I267G259-S263 PolarHBondContact O-N 3.23Å; G259-S263 VanDerWaalsContact O-N 3.08Å; S260-S263 WeakPolarHBondContact O-CB 3Å; S260-S263 PolarHBondContact O-N 3.46Å; S260-S263 PolarHBondContact O-OG 2.8Å; I261-S263 PolarHBondContact O-N 3.4Å; S263-I266 PolarHBondContact O-N 3.17Å; S263-I267 VanDerWaalsContact O-CG1 3.29Å; S263-I267 WeakPolarHBondContact O-CG1 3.43Å; S263-I267 PolarHBondContact O-N 3.47Å; S263-I267 VanDerWaalsContact O-N 3.09Å
264Y92Very high89.9Confident137 Ų13762.5 Ų62.554%0.53731%0.307SS..Hα-helixtrans-72.2-33.4177.9-66.8-68.5000112.9S260 I261 L262 I266 I267 S268S260-Y264 VanDerWaalsContact O-CD2 3.23Å; S260-Y264 WeakPolarHBondContact O-CD2 3.08Å; I261-Y264 PolarHBondContact O-N 3.03Å; I261-Y264 VanDerWaalsContact O-N 3.11Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.12Å; Y264-I266 VanDerWaalsContact C-N 3.28Å; Y264-I266 PolarHBondContact O-N 2.73Å; Y264-I267 HydrophobicContact CD1-CD1 4.17Å; Y264-I267 PolarHBondContact O-N 3.16Å; Y264-S268 PolarHBondContact O-N 2.82Å
265M93Very high89.6Confident87 Ų8757 Ų5743%0.42929%0.289SS..Hα-helixtrans-63.1-34.1172.1-66.6-167.9-70.800112.2F258 I261 L262 S268F258-M265 HydrophobicContact CE1-CE 4.35Å; F258-M265 HydrophobicContact CZ-CE 4.13Å; I261-M265 HydrophobicContact CG2-CE 4.29Å; I261-M265 PolarHBondContact O-N 3.42Å; I261-M265 VanDerWaalsContact O-N 3.08Å; L262-M265 HydrophobicContact CB-CE 4.18Å; L262-M265 HydrophobicContact CD1-CE 3.81Å; L262-M265 PolarHBondContact O-N 3.5Å; M265-S268 PolarHBondContact O-OG 3.31Å
266I92.8Very high89.2Confident2 Ų262.1 Ų62.11%0.0131%0.311CS..Hα-helixtrans-74.5-39.4175.9-64164.7000111I168 L262 S263 Y264 S268 I269 P270 Y296I168-I266 HydrophobicContact CD1-CD1 3.94Å; I168-I266 HydrophobicContact CG1-CD1 3.49Å; I168-I266 VanDerWaalsContact CG1-CD1 3.49Å; L262-I266 HydrophobicContact CD1-CD1 4.39Å; L262-I266 HydrophobicContact CD1-CG1 4.46Å; L262-I266 HydrophobicContact CG-CD1 4.05Å; L262-I266 WeakPolarHBondContact O-CG1 3.38Å; L262-I266 PolarHBondContact O-N 3.34Å; S263-I266 PolarHBondContact O-N 3.17Å; Y264-I266 VanDerWaalsContact C-N 3.28Å; Y264-I266 PolarHBondContact O-N 2.73Å; I266-S268 PolarHBondContact O-N 3.33Å; I266-I269 PolarHBondContact O-N 2.88Å; I266-P270 VanDerWaalsContact O-CD 3.26Å; I266-P270 WeakPolarHBondContact O-CD 3.32Å; I266-Y296 HydrophobicContact CB-CD2 3.98Å; I266-Y296 HydrophobicContact CB-CE2 3.95Å; I266-Y296 HydrophobicContact CG2-CD2 3.88Å; I266-Y296 HydrophobicContact CG2-CE2 3.47Å; I266-Y296 VanDerWaalsContact CG2-CE2 3.47Å
267I91.5Very high89.2Confident7 Ų761.6 Ų61.64%0.03631%0.306CS..Hα-helixtrans-62.8-33.5177.6-66165.9000111.4S263 Y264 I269 P270 I271 I289 N292 Y296S263-I267 VanDerWaalsContact O-CG1 3.29Å; S263-I267 WeakPolarHBondContact O-CG1 3.43Å; S263-I267 PolarHBondContact O-N 3.47Å; S263-I267 VanDerWaalsContact O-N 3.09Å; Y264-I267 HydrophobicContact CD1-CD1 4.17Å; Y264-I267 PolarHBondContact O-N 3.16Å; I267-I269 VanDerWaalsContact C-N 3.26Å; I267-I269 PolarHBondContact O-N 3.32Å; I267-P270 VanDerWaalsContact O-CD 3.31Å; I267-P270 WeakPolarHBondContact O-CD 3.35Å; I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 WeakPolarHBondContact O-CG1 2.94Å; I267-I289 HydrophobicContact CD1-CG2 4.36Å; I267-I289 HydrophobicContact CG2-CB 4.45Å; I267-I289 HydrophobicContact CG2-CG1 3.95Å; I267-I289 HydrophobicContact CG2-CG2 4.32Å; I267-N292 HydrophobicContact CD1-CB 4.5Å; I267-N292 HydrophobicContact CG1-CB 4.29Å; I267-Y296 HydrophobicContact CB-CE2 4.39Å; I267-Y296 HydrophobicContact CD1-CD2 4.3Å; I267-Y296 HydrophobicContact CD1-CE2 4.38Å; I267-Y296 HydrophobicContact CG1-CD2 3.68Å; I267-Y296 HydrophobicContact CG1-CE2 3.37Å
268S90.4Very high88.8Confident43 Ų4359.2 Ų59.230%0.30131%0.305SS..Hα-helixtrans-67.5-24.7-178.874.60000113.3Y264 M265 I266 I271 L272Y264-S268 PolarHBondContact O-N 2.82Å; M265-S268 PolarHBondContact O-OG 3.31Å; I266-S268 PolarHBondContact O-N 3.33Å; S268-I271 PolarHBondContact O-N 3.2Å; S268-L272 VanDerWaalsContact O-CB 3.27Å; S268-L272 WeakPolarHBondContact O-CB 3.45Å; S268-L272 PolarHBondContact O-N 3.49Å
269I89.2Confident88.5Confident37 Ų3763.7 Ų63.719%0.1933%0.332CS..Iπ-helixtrans-60.9-60.4-178.8-61.4170.4000112.1L163 I266 I267 I271 V273 E274L163-I269 HydrophobicContact CD1-CG2 3.95Å; I266-I269 PolarHBondContact O-N 2.88Å; I267-I269 VanDerWaalsContact C-N 3.26Å; I267-I269 PolarHBondContact O-N 3.32Å; I269-I271 PolarHBondContact O-N 2.84Å; I269-V273 WeakPolarHBondContact O-CA 3.37Å; I269-V273 VanDerWaalsContact O-CB 3.27Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 PolarHBondContact O-N 3.37Å; I269-E274 PolarHBondContact O-N 2.84Å; I269-E274 VanDerWaalsContact O-N 3.13Å
270P87.3Confident88.2Confident1 Ų165.7 Ų65.71%0.00634%0.344CS..Iπ-helixtrans-68.2-21.8-177.927.8-37.1000113.5I266 I267 K276 Y277I266-P270 VanDerWaalsContact O-CD 3.26Å; I266-P270 WeakPolarHBondContact O-CD 3.32Å; I267-P270 VanDerWaalsContact O-CD 3.31Å; I267-P270 WeakPolarHBondContact O-CD 3.35Å; P270-K276 PolarHBondContact O-N 2.91Å; P270-K276 VanDerWaalsContact O-N 3.16Å; P270-Y277 HydrophobicContact CB-CD2 4.45Å; P270-Y277 HydrophobicContact CB-CE2 4.03Å; P270-Y277 HydrophobicContact CG-CE2 4.5Å
271I89.1Confident88.2Confident36 Ų3665.1 Ų65.119%0.18535%0.346CS..Iπ-helixtrans-85.6-50.4-179.4-61178.1000111.4I267 S268 I269 Y277 I289I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 WeakPolarHBondContact O-CG1 2.94Å; S268-I271 PolarHBondContact O-N 3.2Å; I269-I271 PolarHBondContact O-N 2.84Å; I271-Y277 HydrophobicContact CG1-CD2 4.23Å; I271-I289 HydrophobicContact CD1-CD1 4.01Å; I271-I289 HydrophobicContact CD1-CG1 3.68Å
272L89.4Confident88.1Confident140 Ų14065.7 Ų65.773%0.73336%0.355SS*.Iπ-helixtrans-94.2-30-173-59.2-179.4000113.6S268S268-L272 VanDerWaalsContact O-CB 3.27Å; S268-L272 WeakPolarHBondContact O-CB 3.45Å; S268-L272 PolarHBondContact O-N 3.49Å
273V87.2Confident88Confident117 Ų11767 Ų6771%0.70936%0.364SS*.Iπ-helixtrans-100.1-48.7-173.5-174.80000111.5I269I269-V273 WeakPolarHBondContact O-CA 3.37Å; I269-V273 VanDerWaalsContact O-CB 3.27Å; I269-V273 WeakPolarHBondContact O-CB 3.43Å; I269-V273 PolarHBondContact O-N 3.37Å
274E84.9Confident87.9Confident98 Ų9872.4 Ų72.446%0.45839%0.389SS..SBendtrans-84.6-17.1-177.4-60.3-176166.600113.7I269 K276I269-E274 PolarHBondContact O-N 2.84Å; I269-E274 VanDerWaalsContact O-N 3.13Å; E274-K276 HydrophobicContact CB-CB 4.4Å; E274-K276 PolarHBondContact O-N 3.42Å; E274-K276 VanDerWaalsContact O-N 3.14Å
275G83.6Confident87.9Confident23 Ų2367.8 Ų67.824%0.23737%0.373CS..  trans60.220.7-176.100000113.9Y277 D278G275-Y277 PolarHBondContact O-N 2.9Å; G275-Y277 VanDerWaalsContact O-N 3.08Å; G275-D278 WeakPolarHBondContact CA-OD1 3.19Å; G275-D278 WeakPolarHBondContact CA-OD2 3.37Å; G275-D278 PolarHBondContact O-N 3.27Å
276K80.2Confident87.9Confident116 Ų11666.1 Ų66.150%0.50437%0.37SS..THydrogen-bonded Turntrans-64.2-21.9-170.3-171.5177179.3-178.50113P270 E274P270-K276 PolarHBondContact O-N 2.91Å; P270-K276 VanDerWaalsContact O-N 3.16Å; E274-K276 HydrophobicContact CB-CB 4.4Å; E274-K276 PolarHBondContact O-N 3.42Å; E274-K276 VanDerWaalsContact O-N 3.14Å
277Y83.5Confident87.9Confident40 Ų4066.1 Ų66.116%0.15737%0.37CS..THydrogen-bonded Turntrans-11717.3-174.5-60.2-70.6000113.2P270 I271 G275 N279 V280 L288P270-Y277 HydrophobicContact CB-CD2 4.45Å; P270-Y277 HydrophobicContact CB-CE2 4.03Å; P270-Y277 HydrophobicContact CG-CE2 4.5Å; I271-Y277 HydrophobicContact CG1-CD2 4.23Å; G275-Y277 PolarHBondContact O-N 2.9Å; G275-Y277 VanDerWaalsContact O-N 3.08Å; Y277-N279 PolarHBondContact O-N 2.99Å; Y277-N279 VanDerWaalsContact O-N 3.16Å; Y277-V280 HydrophobicContact CD1-CG2 4.06Å; Y277-V280 WeakPolarHBondContact O-CB 3.49Å; Y277-V280 PolarHBondContact O-N 3.12Å; Y277-L288 HydrophobicContact CD1-CD2 3.61Å; Y277-L288 HydrophobicContact CD2-CD2 3.8Å; Y277-L288 HydrophobicContact CE1-CD2 3.49Å; Y277-L288 VanDerWaalsContact CE1-CD2 3.49Å; Y277-L288 HydrophobicContact CE2-CD2 3.68Å; Y277-L288 HydrophobicContact CG-CD2 3.75Å
278D81.3Confident87.9Confident121 Ų12166.4 Ų66.465%0.64737%0.372SS*.THydrogen-bonded Turntrans-62.2-25.7-176.7-69-5.5000113.4G275G275-D278 WeakPolarHBondContact CA-OD1 3.19Å; G275-D278 WeakPolarHBondContact CA-OD2 3.37Å; G275-D278 PolarHBondContact O-N 3.27Å
279N85.4Confident88Confident171 Ų17167 Ų6791%0.91437%0.371SS*.THydrogen-bonded Turntrans-90.41.8178.9-63.3-36.4000113.8Y277Y277-N279 PolarHBondContact O-N 2.99Å; Y277-N279 VanDerWaalsContact O-N 3.16Å
280V85.7Confident88.2Confident42 Ų4266 Ų6626%0.25537%0.367SS..SBendtrans-94.2137-174.5178.90000109.9Y277 E284 I285Y277-V280 HydrophobicContact CD1-CG2 4.06Å; Y277-V280 WeakPolarHBondContact O-CB 3.49Å; Y277-V280 PolarHBondContact O-N 3.12Å; V280-E284 HydrophobicContact CG1-CB 3.32Å; V280-E284 HydrophobicContact CG1-CG 4.41Å; V280-E284 WeakPolarHBondContact CG1-OE2 3.19Å; V280-I285 HydrophobicContact CB-CD1 4.49Å; V280-I285 HydrophobicContact CB-CG1 4Å; V280-I285 HydrophobicContact CG1-CG1 3.87Å; V280-I285 WeakPolarHBondContact O-CD1 3.34Å
281G88.2Confident88.5Confident33 Ų3370.4 Ų70.434%0.3438%0.384SS..  trans-62.3152.6179.500000112.7V283 E284 I285G281-V283 PolarHBondContact O-N 3.16Å; G281-V283 VanDerWaalsContact O-N 3.14Å; G281-E284 PolarHBondContact O-N 3.27Å; G281-I285 WeakPolarHBondContact O-CG1 3.33Å; G281-I285 PolarHBondContact O-N 3.05Å
282P89.8Confident88.8Confident105 Ų10569 Ų6968%0.68238%0.376SS*.Hα-helixtrans-60.3-30-17623.1-33.9000113.6S286P282-S286 PolarHBondContact O-N 3.48Å; P282-S286 PolarHBondContact O-OG 3.02Å
283V90.6Very high89Confident48 Ų4863.3 Ų63.329%0.29135%0.348SS..Hα-helixtrans-66.2-46.2174.7175.80000111.1G281 S286 A287G281-V283 PolarHBondContact O-N 3.16Å; G281-V283 VanDerWaalsContact O-N 3.14Å; V283-S286 PolarHBondContact O-N 3.12Å; V283-A287 PolarHBondContact O-N 3.4Å; V283-A287 VanDerWaalsContact O-N 3.08Å
284E90.6Very high89.3Confident116 Ų11659.2 Ų59.254%0.54232%0.321SS..Hα-helixtrans-68.6-37.1179.1-73.2179.6-16600111.6V280 G281 S286 A287 L288V280-E284 HydrophobicContact CG1-CB 3.32Å; V280-E284 HydrophobicContact CG1-CG 4.41Å; V280-E284 WeakPolarHBondContact CG1-OE2 3.19Å; G281-E284 PolarHBondContact O-N 3.27Å; E284-S286 VanDerWaalsContact C-N 3.34Å; E284-S286 PolarHBondContact O-N 3.45Å; E284-A287 PolarHBondContact O-N 3.03Å; E284-L288 VanDerWaalsContact O-CB 3.29Å; E284-L288 WeakPolarHBondContact O-CB 3.47Å; E284-L288 PolarHBondContact O-N 3.19Å
285I91.7Very high89.7Confident41 Ų4155.2 Ų55.221%0.2130%0.302CS..Hα-helixtrans-60.3-44.5172.1-67.1175.3000110.6V280 G281 A287 L288 I289V280-I285 HydrophobicContact CB-CD1 4.49Å; V280-I285 HydrophobicContact CB-CG1 4Å; V280-I285 HydrophobicContact CG1-CG1 3.87Å; V280-I285 WeakPolarHBondContact O-CD1 3.34Å; G281-I285 WeakPolarHBondContact O-CG1 3.33Å; G281-I285 PolarHBondContact O-N 3.05Å; I285-A287 PolarHBondContact O-N 3.46Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.16Å; I285-I289 HydrophobicContact CG2-CD1 3.77Å; I285-I289 HydrophobicContact CG2-CG1 4.32Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.36Å; I285-I289 PolarHBondContact O-N 3.2Å
286S92.5Very high90.2Very high51 Ų5154.1 Ų54.136%0.35729%0.29SS..Hα-helixtrans-62.6-42.7179.3-59.10000112P282 V283 E284 I289 S290P282-S286 PolarHBondContact O-N 3.48Å; P282-S286 PolarHBondContact O-OG 3.02Å; V283-S286 PolarHBondContact O-N 3.12Å; E284-S286 VanDerWaalsContact C-N 3.34Å; E284-S286 PolarHBondContact O-N 3.45Å; S286-I289 PolarHBondContact O-N 2.86Å; S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 3.3Å; S286-S290 VanDerWaalsContact O-N 3.1Å
287A92.8Very high90.8Very high2 Ų252.4 Ų52.42%0.01729%0.287CS..Hα-helixtrans-64.7-39.8174.900000112.4S58 Q62 V283 E284 I285 S290 R291S58-A287 VanDerWaalsContact CB-O 3.29Å; S58-A287 WeakPolarHBondContact CB-O 3.47Å; S58-A287 WeakPolarHBondContact O-CB 3.49Å; Q62-A287 HydrophobicContact CG-CB 3.37Å; V283-A287 PolarHBondContact O-N 3.4Å; V283-A287 VanDerWaalsContact O-N 3.08Å; E284-A287 PolarHBondContact O-N 3.03Å; I285-A287 PolarHBondContact O-N 3.46Å; A287-S290 PolarHBondContact O-N 2.82Å; A287-R291 WeakPolarHBondContact O-CB 3.35Å; A287-R291 PolarHBondContact O-N 3.38Å
288L92.1Very high91.2Very high14 Ų1452.2 Ų52.27%0.07329%0.286CS..Hα-helixtrans-63.6-47.1176.8-179.969.1000111.7Y277 E284 I285 S290 R291 N292Y277-L288 HydrophobicContact CD1-CD2 3.61Å; Y277-L288 HydrophobicContact CD2-CD2 3.8Å; Y277-L288 HydrophobicContact CE1-CD2 3.49Å; Y277-L288 VanDerWaalsContact CE1-CD2 3.49Å; Y277-L288 HydrophobicContact CE2-CD2 3.68Å; Y277-L288 HydrophobicContact CG-CD2 3.75Å; E284-L288 VanDerWaalsContact O-CB 3.29Å; E284-L288 WeakPolarHBondContact O-CB 3.47Å; E284-L288 PolarHBondContact O-N 3.19Å; I285-L288 WeakPolarHBondContact O-CB 3.47Å; I285-L288 PolarHBondContact O-N 3.16Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.41Å; L288-R291 VanDerWaalsContact CD1-NH2 3.28Å; L288-R291 PolarHBondContact O-N 2.8Å; L288-N292 WeakPolarHBondContact CD1-ND2 3.44Å; L288-N292 WeakPolarHBondContact CG-ND2 3.49Å; L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.39Å; L288-N292 PolarHBondContact O-N 2.96Å; L288-N292 PolarHBondContact O-ND2 3.06Å
289I93Very high91.8Very high55 Ų5546.4 Ų46.428%0.28226%0.255SS..Hα-helixtrans-56.8-47176.2-69.4167000109.9I267 I271 I285 S286 N292 S293I267-I289 HydrophobicContact CD1-CG2 4.36Å; I267-I289 HydrophobicContact CG2-CB 4.45Å; I267-I289 HydrophobicContact CG2-CG1 3.95Å; I267-I289 HydrophobicContact CG2-CG2 4.32Å; I271-I289 HydrophobicContact CD1-CD1 4.01Å; I271-I289 HydrophobicContact CD1-CG1 3.68Å; I285-I289 HydrophobicContact CG2-CD1 3.77Å; I285-I289 HydrophobicContact CG2-CG1 4.32Å; I285-I289 VanDerWaalsContact O-CG1 3.29Å; I285-I289 WeakPolarHBondContact O-CG1 3.36Å; I285-I289 PolarHBondContact O-N 3.2Å; S286-I289 PolarHBondContact O-N 2.86Å; I289-N292 PolarHBondContact O-N 3.44Å; I289-S293 VanDerWaalsContact O-CB 3.3Å; I289-S293 WeakPolarHBondContact O-CB 3.39Å; I289-S293 PolarHBondContact O-N 3.36Å; I289-S293 PolarHBondContact O-OG 2.98Å
290S93.9Very high92.1Very high15 Ų1538.5 Ų38.511%0.10521%0.212CC..Hα-helixtrans-62-44.3179.5-179.10000113S58 S286 A287 L288 S293 F294S58-S290 PolarHBondContact N-OG 3.07Å; S286-S290 WeakPolarHBondContact O-CB 3.37Å; S286-S290 PolarHBondContact O-N 3.3Å; S286-S290 VanDerWaalsContact O-N 3.1Å; A287-S290 PolarHBondContact O-N 2.82Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 3.41Å; S290-S293 PolarHBondContact O-OG 3.17Å; S290-F294 PolarHBondContact O-N 3.29Å
291R93.9Very high92.3Very high95 Ų9540.6 Ų40.636%0.35822%0.222SC..Hα-helixtrans-66.9-42.4177.7-176.6176.166.6-164.3-2.3112.1V55 A287 L288 F294 Y295V55-R291 HydrophobicContact CG1-CG 4.35Å; A287-R291 WeakPolarHBondContact O-CB 3.35Å; A287-R291 PolarHBondContact O-N 3.38Å; L288-R291 VanDerWaalsContact CD1-NH2 3.28Å; L288-R291 PolarHBondContact O-N 2.8Å; R291-F294 WeakPolarHBondContact O-CB 3.35Å; R291-F294 PolarHBondContact O-N 3.09Å; R291-Y295 WeakPolarHBondContact CD-OH 3.39Å; R291-Y295 HydrophobicContact CG-CE1 4.08Å; R291-Y295 HydrophobicContact CG-CE2 3.74Å; R291-Y295 VanDerWaalsContact CG-CZ 3.47Å; R291-Y295 WeakPolarHBondContact CG-OH 3.26Å; R291-Y295 PolarHBondContact O-N 3.03Å
292N93.7Very high92.3Very high5 Ų539.6 Ų39.63%0.02721%0.21CC..Hα-helixtrans-73.4-36.7-177.8-67.6-14000112S159 I267 L288 I289 F294 Y295 Y296S159-N292 PolarHBondContact OG-ND2 3.21Å; S159-N292 PolarHBondContact OG-OD1 3.06Å; I267-N292 HydrophobicContact CD1-CB 4.5Å; I267-N292 HydrophobicContact CG1-CB 4.29Å; L288-N292 WeakPolarHBondContact CD1-ND2 3.44Å; L288-N292 WeakPolarHBondContact CG-ND2 3.49Å; L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.39Å; L288-N292 PolarHBondContact O-N 2.96Å; L288-N292 PolarHBondContact O-ND2 3.06Å; I289-N292 PolarHBondContact O-N 3.44Å; N292-F294 VanDerWaalsContact C-N 3.27Å; N292-F294 PolarHBondContact O-N 2.81Å; N292-Y295 PolarHBondContact O-N 3.1Å; N292-Y295 VanDerWaalsContact O-N 3.16Å; N292-Y296 HydrophobicContact CB-CE1 4.48Å; N292-Y296 HydrophobicContact CB-CE2 4.33Å; N292-Y296 WeakPolarHBondContact O-CD1 3.4Å; N292-Y296 PolarHBondContact O-N 3.43Å
293S93.6Very high92.1Very high21 Ų2135 Ų3515%0.14718%0.179CC..Hα-helixtrans-60.7-40.2173.470.20000110.9I289 S290 Y296 L297I289-S293 VanDerWaalsContact O-CB 3.3Å; I289-S293 WeakPolarHBondContact O-CB 3.39Å; I289-S293 PolarHBondContact O-N 3.36Å; I289-S293 PolarHBondContact O-OG 2.98Å; S290-S293 PolarHBondContact O-OG 3.17Å; S293-Y296 PolarHBondContact O-N 3.21Å; S293-L297 WeakPolarHBondContact O-CB 3.29Å; S293-L297 PolarHBondContact O-N 2.93Å
294F93.8Very high91.8Very high31 Ų3133 Ų3314%0.13617%0.167CC..Hα-helixtrans-59-49.3172.3175.2-107.3000111.7Y51 G54 V55 Y152 S290 R291 N292 Y296 Y298Y51-F294 HydrophobicContact CD2-CE1 4.37Å; G54-F294 WeakPolarHBondContact O-CG 3.35Å; V55-F294 HydrophobicContact CG2-CD1 4.1Å; V55-F294 HydrophobicContact CG2-CE1 4.39Å; Y152-F294 HydrophobicContact CE1-CE1 4Å; S290-F294 PolarHBondContact O-N 3.29Å; R291-F294 WeakPolarHBondContact O-CB 3.35Å; R291-F294 PolarHBondContact O-N 3.09Å; N292-F294 VanDerWaalsContact C-N 3.27Å; N292-F294 PolarHBondContact O-N 2.81Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; F294-Y296 PolarHBondContact O-N 2.88Å; F294-Y298 AromaticContact CE2-CD2 3.7Å; F294-Y298 HydrophobicContact CE2-CD2 3.7Å; F294-Y298 HydrophobicContact CE2-CE2 4.43Å; F294-Y298 HydrophobicContact CE2-CG 4.39Å; F294-Y298 AromaticContact CZ-CD2 3.74Å; F294-Y298 HydrophobicContact CZ-CD2 3.74Å; F294-Y298 HydrophobicContact CZ-CE2 4.31Å; F294-Y298 HydrophobicContact CZ-CG 4.21Å; F294-Y298 WeakPolarHBondContact O-CB 3.49Å; F294-Y298 PolarHBondContact O-N 3.49Å
295Y93.6Very high91.5Very high14 Ų1429 Ų296%0.05515%0.151CC..Hα-helixtrans-58.7-44.9179.6-61.1-20.2000112.7Y51 V55 Y152 K155 R291 N292 L299Y51-Y295 HydrophobicContact CD2-CE1 4.46Å; Y51-Y295 AromaticContact CE2-CE1 3.71Å; Y51-Y295 HydrophobicContact CE2-CE1 3.71Å; Y51-Y295 PolarHBondContact OH-OH 3.25Å; V55-Y295 HydrophobicContact CG2-CE1 4.1Å; Y152-Y295 HydrophobicContact CD1-CD1 4.3Å; Y152-Y295 HydrophobicContact CE1-CD1 4.1Å; K155-Y295 HydrophobicContact CB-CD2 4.01Å; K155-Y295 HydrophobicContact CB-CE2 4.26Å; K155-Y295 HydrophobicContact CB-CG 4.21Å; K155-Y295 HydrophobicContact CD-CE2 4.45Å; R291-Y295 WeakPolarHBondContact CD-OH 3.39Å; R291-Y295 HydrophobicContact CG-CE1 4.08Å; R291-Y295 HydrophobicContact CG-CE2 3.74Å; R291-Y295 VanDerWaalsContact CG-CZ 3.47Å; R291-Y295 WeakPolarHBondContact CG-OH 3.26Å; R291-Y295 PolarHBondContact O-N 3.03Å; N292-Y295 PolarHBondContact O-N 3.1Å; N292-Y295 VanDerWaalsContact O-N 3.16Å; Y295-L299 PolarHBondContact O-N 2.86Å; Y295-L299 VanDerWaalsContact O-N 3.08Å
296Y93.8Very high91Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-72.9-45-175.9-57-9.5000111.1T156 S159 S160 I168 I266 I267 N292 S293 F294 Y298 L299 I300T156-Y296 HydrophobicContact CG2-CD1 3.64Å; T156-Y296 HydrophobicContact CG2-CE1 3.59Å; S159-Y296 WeakPolarHBondContact CB-OH 3.38Å; S159-Y296 PolarHBondContact OG-OH 2.94Å; S160-Y296 WeakPolarHBondContact CB-OH 3.47Å; I168-Y296 HydrophobicContact CD1-CG 4.47Å; I266-Y296 HydrophobicContact CB-CD2 3.98Å; I266-Y296 HydrophobicContact CB-CE2 3.95Å; I266-Y296 HydrophobicContact CG2-CD2 3.88Å; I266-Y296 HydrophobicContact CG2-CE2 3.47Å; I266-Y296 VanDerWaalsContact CG2-CE2 3.47Å; I267-Y296 HydrophobicContact CB-CE2 4.39Å; I267-Y296 HydrophobicContact CD1-CD2 4.3Å; I267-Y296 HydrophobicContact CD1-CE2 4.38Å; I267-Y296 HydrophobicContact CG1-CD2 3.68Å; I267-Y296 HydrophobicContact CG1-CE2 3.37Å; N292-Y296 HydrophobicContact CB-CE1 4.48Å; N292-Y296 HydrophobicContact CB-CE2 4.33Å; N292-Y296 WeakPolarHBondContact O-CD1 3.4Å; N292-Y296 PolarHBondContact O-N 3.43Å; S293-Y296 PolarHBondContact O-N 3.21Å; F294-Y296 VanDerWaalsContact C-N 3.35Å; F294-Y296 PolarHBondContact O-N 2.88Å; Y296-Y298 VanDerWaalsContact C-N 3.28Å; Y296-Y298 PolarHBondContact O-N 3.43Å; Y296-L299 PolarHBondContact O-N 2.83Å; Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 2.98Å; Y296-I300 PolarHBondContact O-N 3.01Å
297L92.9Very high90.2Very high81 Ų8126.7 Ų26.742%0.42413%0.134SC..Hα-helixtrans-62.9-37.5176.8-172.367.1000111.2S293 I300 N301S293-L297 WeakPolarHBondContact O-CB 3.29Å; S293-L297 PolarHBondContact O-N 2.93Å; L297-I300 PolarHBondContact O-N 3.31Å; L297-N301 VanDerWaalsContact O-CB 3.28Å; L297-N301 WeakPolarHBondContact O-CB 3.37Å; L297-N301 PolarHBondContact O-N 2.74Å
298Y92.6Very high89.3Confident35 Ų3530 Ų3014%0.13715%0.152CC..Hα-helixtrans-68.6-40.1177.7-155.7-88.7000112.4Q47 T50 I148 Y152 F294 Y296 N301 S302Q47-Y298 PolarHBondContact OE1-OH 3.42Å; T50-Y298 HydrophobicContact CG2-CD2 4.43Å; T50-Y298 HydrophobicContact CG2-CE2 3.4Å; T50-Y298 VanDerWaalsContact CG2-CE2 3.4Å; T50-Y298 WeakPolarHBondContact CG2-OH 3.42Å; I148-Y298 HydrophobicContact CG2-CD1 4.21Å; I148-Y298 HydrophobicContact CG2-CE1 3.73Å; Y152-Y298 HydrophobicContact CD1-CD1 4.28Å; Y152-Y298 AromaticContact CD2-CD1 3.49Å; Y152-Y298 HydrophobicContact CD2-CD1 3.49Å; Y152-Y298 VanDerWaalsContact CD2-CD1 3.49Å; Y152-Y298 AromaticContact CD2-CE1 3.99Å; Y152-Y298 HydrophobicContact CD2-CE1 3.99Å; Y152-Y298 HydrophobicContact CD2-CG 4.48Å; Y152-Y298 AromaticContact CE1-CD1 3.96Å; Y152-Y298 HydrophobicContact CE1-CD1 3.96Å; Y152-Y298 HydrophobicContact CE1-CG 4.1Å; Y152-Y298 AromaticContact CE2-CD1 3.11Å; Y152-Y298 HydrophobicContact CE2-CD1 3.11Å; Y152-Y298 AromaticContact CE2-CE1 3.33Å; Y152-Y298 HydrophobicContact CE2-CE1 3.33Å; Y152-Y298 HydrophobicContact CE2-CG 4.03Å; Y152-Y298 HydrophobicContact CG-CD1 4.06Å; Y152-Y298 AromaticContact CZ-CD1 3.36Å; Y152-Y298 AromaticContact CZ-CE1 3.79Å; Y152-Y298 AromaticContact CZ-CG 3.8Å; F294-Y298 AromaticContact CE2-CD2 3.7Å; F294-Y298 HydrophobicContact CE2-CD2 3.7Å; F294-Y298 HydrophobicContact CE2-CE2 4.43Å; F294-Y298 HydrophobicContact CE2-CG 4.39Å; F294-Y298 AromaticContact CZ-CD2 3.74Å; F294-Y298 HydrophobicContact CZ-CD2 3.74Å; F294-Y298 HydrophobicContact CZ-CE2 4.31Å; F294-Y298 HydrophobicContact CZ-CG 4.21Å; F294-Y298 WeakPolarHBondContact O-CB 3.49Å; F294-Y298 PolarHBondContact O-N 3.49Å; Y296-Y298 VanDerWaalsContact C-N 3.28Å; Y296-Y298 PolarHBondContact O-N 3.43Å; Y298-N301 PolarHBondContact O-N 3.26Å; Y298-S302 WeakPolarHBondContact O-CB 3.36Å; Y298-S302 PolarHBondContact O-N 2.86Å; Y298-S302 PolarHBondContact O-OG 3.11Å
299L93.8Very high88.5Confident0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-64-43.9174.2-175.358.5000111.3I149 I168 Y295 Y296 S302 F303I149-L299 HydrophobicContact CB-CD1 4.47Å; I149-L299 HydrophobicContact CG2-CD1 4.16Å; I168-L299 HydrophobicContact CB-CD2 4.4Å; I168-L299 HydrophobicContact CD1-CB 4.49Å; I168-L299 HydrophobicContact CD1-CD2 3.86Å; I168-L299 HydrophobicContact CD1-CG 4.48Å; I168-L299 HydrophobicContact CG2-CD2 3.98Å; I168-L299 HydrophobicContact CG2-CG 3.95Å; Y295-L299 PolarHBondContact O-N 2.86Å; Y295-L299 VanDerWaalsContact O-N 3.08Å; Y296-L299 PolarHBondContact O-N 2.83Å; L299-S302 WeakPolarHBondContact O-CB 3.3Å; L299-S302 PolarHBondContact O-N 3.4Å; L299-F303 HydrophobicContact CD1-CD2 4.47Å; L299-F303 HydrophobicContact CD1-CE2 3.93Å; L299-F303 HydrophobicContact CD1-CZ 4.43Å; L299-F303 HydrophobicContact CG-CD2 4.35Å; L299-F303 HydrophobicContact CG-CE2 3.97Å; L299-F303 WeakPolarHBondContact O-CD2 3.44Å; L299-F303 PolarHBondContact O-N 3.09Å
300I91.8Very high87.4Confident4 Ų428.7 Ų28.72%0.02115%0.146CC..Hα-helixtrans-61-47.7175.4-69.9167.3000110.9I168 Y171 G259 L262 Y296 L297 S302 F303 S304I168-I300 HydrophobicContact CD1-CG1 4.47Å; I168-I300 HydrophobicContact CG1-CD1 4.42Å; I168-I300 HydrophobicContact CG1-CG1 4.22Å; I168-I300 HydrophobicContact CG2-CG1 3.81Å; Y171-I300 HydrophobicContact CE1-CG2 3.89Å; G259-I300 VanDerWaalsContact O-CD1 3.23Å; G259-I300 WeakPolarHBondContact O-CD1 3.21Å; L262-I300 HydrophobicContact CD2-CD1 4.32Å; Y296-I300 VanDerWaalsContact O-CG1 3.29Å; Y296-I300 WeakPolarHBondContact O-CG1 2.98Å; Y296-I300 PolarHBondContact O-N 3.01Å; L297-I300 PolarHBondContact O-N 3.31Å; I300-S302 VanDerWaalsContact C-N 3.27Å; I300-S302 PolarHBondContact O-N 3.46Å; I300-F303 CarbonylContact O-C 3.59Å; I300-F303 WeakPolarHBondContact O-CA 3.46Å; I300-F303 WeakPolarHBondContact O-CB 3.4Å; I300-F303 PolarHBondContact O-N 3.26Å; I300-S304 PolarHBondContact O-N 3.15Å
301N89.4Confident86.1Confident86 Ų8630.2 Ų30.246%0.4616%0.156SC..Hα-helixtrans-64.2-31.8178.6-172.837.9000112.6L297 Y298 F303 S304 T305L297-N301 VanDerWaalsContact O-CB 3.28Å; L297-N301 WeakPolarHBondContact O-CB 3.37Å; L297-N301 PolarHBondContact O-N 2.74Å; Y298-N301 PolarHBondContact O-N 3.26Å; N301-F303 VanDerWaalsContact C-N 3.28Å; N301-F303 PolarHBondContact O-N 2.99Å; N301-S304 PolarHBondContact O-N 3.33Å; N301-T305 WeakPolarHBondContact O-CB 3.19Å; N301-T305 PolarHBondContact O-N 2.66Å; N301-T305 PolarHBondContact O-OG1 2.89Å
302S88.3Confident85.1Confident12 Ų1228.9 Ų28.98%0.08415%0.153CC..Hα-helixtrans-62.4-39.4172.9-59.90000111.1I148 Y298 L299 I300 L306I148-S302 WeakPolarHBondContact CG2-OG 3.12Å; Y298-S302 WeakPolarHBondContact O-CB 3.36Å; Y298-S302 PolarHBondContact O-N 2.86Å; Y298-S302 PolarHBondContact O-OG 3.11Å; L299-S302 WeakPolarHBondContact O-CB 3.3Å; L299-S302 PolarHBondContact O-N 3.4Å; I300-S302 VanDerWaalsContact C-N 3.27Å; I300-S302 PolarHBondContact O-N 3.46Å; S302-L306 PolarHBondContact O-N 3.37Å
303F86.7Confident83.8Confident10 Ų1028.7 Ų28.74%0.04415%0.152CC..Hα-helixtrans-71.2-43.2174.1-77.4-47.7000112.9I149 I168 Y169 F172 L299 I300 N301 T305 L306 I307I149-F303 HydrophobicContact CD1-CD1 4.25Å; I149-F303 HydrophobicContact CD1-CE1 3.95Å; I149-F303 HydrophobicContact CG1-CE1 4.42Å; I149-F303 HydrophobicContact CG2-CE1 4.17Å; I149-F303 HydrophobicContact CG2-CZ 3.91Å; I168-F303 HydrophobicContact CG2-CD2 3.83Å; I168-F303 HydrophobicContact CG2-CE2 3.83Å; Y169-F303 HydrophobicContact CD1-CZ 4.26Å; Y169-F303 HydrophobicContact CD2-CE2 4.15Å; Y169-F303 HydrophobicContact CD2-CZ 4.17Å; Y169-F303 AromaticContact CE1-CZ 3.98Å; Y169-F303 HydrophobicContact CE1-CZ 3.98Å; Y169-F303 HydrophobicContact CE2-CE2 4.13Å; Y169-F303 AromaticContact CE2-CZ 3.92Å; Y169-F303 HydrophobicContact CE2-CZ 3.92Å; Y169-F303 HydrophobicContact CG-CZ 4.37Å; Y169-F303 AromaticContact CZ-CZ 3.82Å; F172-F303 HydrophobicContact CB-CB 4.24Å; F172-F303 HydrophobicContact CB-CD1 4.25Å; F172-F303 HydrophobicContact CB-CD2 4.04Å; F172-F303 HydrophobicContact CB-CE2 4.48Å; F172-F303 HydrophobicContact CB-CG 3.93Å; F172-F303 AromaticContact CD1-CD1 3.75Å; F172-F303 HydrophobicContact CD1-CD1 3.75Å; F172-F303 AromaticContact CD1-CE1 3.9Å; F172-F303 HydrophobicContact CD1-CE1 3.9Å; F172-F303 HydrophobicContact CD1-CG 4.3Å; F172-F303 HydrophobicContact CD2-CB 3.43Å; F172-F303 VanDerWaalsContact CD2-CB 3.43Å; F172-F303 AromaticContact CD2-CD1 3.62Å; F172-F303 HydrophobicContact CD2-CD1 3.62Å; F172-F303 AromaticContact CD2-CG 3.64Å; F172-F303 HydrophobicContact CD2-CG 3.64Å; F172-F303 AromaticContact CE1-CD1 3.91Å; F172-F303 HydrophobicContact CE1-CD1 3.91Å; F172-F303 HydrophobicContact CE1-CE1 4.1Å; F172-F303 HydrophobicContact CE2-CB 3.92Å; F172-F303 AromaticContact CE2-CD1 3.73Å; F172-F303 HydrophobicContact CE2-CD1 3.73Å; F172-F303 HydrophobicContact CE2-CG 4.14Å; F172-F303 HydrophobicContact CG-CB 3.97Å; F172-F303 AromaticContact CG-CD1 3.58Å; F172-F303 HydrophobicContact CG-CD1 3.58Å; F172-F303 HydrophobicContact CG-CD2 4.27Å; F172-F303 HydrophobicContact CG-CE1 4.13Å; F172-F303 AromaticContact CG-CG 3.68Å; F172-F303 HydrophobicContact CG-CG 3.68Å; F172-F303 AromaticContact CZ-CD1 3.88Å; F172-F303 HydrophobicContact CZ-CD1 3.88Å; F172-F303 HydrophobicContact CZ-CE1 4.47Å; L299-F303 HydrophobicContact CD1-CD2 4.47Å; L299-F303 HydrophobicContact CD1-CE2 3.93Å; L299-F303 HydrophobicContact CD1-CZ 4.43Å; L299-F303 HydrophobicContact CG-CD2 4.35Å; L299-F303 HydrophobicContact CG-CE2 3.97Å; L299-F303 WeakPolarHBondContact O-CD2 3.44Å; L299-F303 PolarHBondContact O-N 3.09Å; I300-F303 CarbonylContact O-C 3.59Å; I300-F303 WeakPolarHBondContact O-CA 3.46Å; I300-F303 WeakPolarHBondContact O-CB 3.4Å; I300-F303 PolarHBondContact O-N 3.26Å; N301-F303 VanDerWaalsContact C-N 3.28Å; N301-F303 PolarHBondContact O-N 2.99Å; F303-T305 VanDerWaalsContact C-N 3.29Å; F303-T305 PolarHBondContact O-N 3.4Å; F303-L306 HydrophobicContact CD1-CD1 4.24Å; F303-L306 WeakPolarHBondContact O-CB 3.38Å; F303-L306 PolarHBondContact O-N 3.3Å; F303-L306 VanDerWaalsContact O-N 3.09Å; F303-I307 PolarHBondContact O-N 3.24Å; F303-I307 VanDerWaalsContact O-N 3.11Å
304S84.4Confident82.3Confident5 Ų528.6 Ų28.64%0.03515%0.151CC..Hα-helixtrans-58.2-42.1172.5-67.70000111.8D256 I300 N301 L306 I307 D308D256-S304 WeakPolarHBondContact OD1-CB 3.12Å; D256-S304 PolarHBondContact OD1-OG 2.94Å; I300-S304 PolarHBondContact O-N 3.15Å; N301-S304 PolarHBondContact O-N 3.33Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.99Å; S304-I307 CarbonylContact O-C 3.6Å; S304-I307 WeakPolarHBondContact O-CA 3.25Å; S304-I307 WeakPolarHBondContact O-CB 3.48Å; S304-I307 PolarHBondContact O-N 2.84Å; S304-D308 PolarHBondContact O-N 2.86Å
305T83.3Confident80.8Confident31 Ų3130.1 Ų30.119%0.1916%0.161CC..Hα-helixtrans-59.9-38.1175.5-600000111.6K141 N301 F303 I307 D308 L309K141-T305 HydrophobicContact CD-CG2 4.18Å; N301-T305 WeakPolarHBondContact O-CB 3.19Å; N301-T305 PolarHBondContact O-N 2.66Å; N301-T305 PolarHBondContact O-OG1 2.89Å; F303-T305 VanDerWaalsContact C-N 3.29Å; F303-T305 PolarHBondContact O-N 3.4Å; T305-I307 VanDerWaalsContact C-N 3.33Å; T305-D308 PolarHBondContact O-N 3.26Å; T305-L309 HydrophobicContact CG2-CD1 4.17Å; T305-L309 HydrophobicContact CG2-CG 4.47Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 WeakPolarHBondContact O-CD1 3.14Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.99Å
306L81.1Confident79.3Confident31 Ų3130 Ų3016%0.16216%0.161CC..Hα-helixtrans-65.1-37.1174.2-73176.3000112I149 S302 F303 S304 L309 N310I149-L306 HydrophobicContact CD1-CD1 3.55Å; S302-L306 PolarHBondContact O-N 3.37Å; F303-L306 HydrophobicContact CD1-CD1 4.24Å; F303-L306 WeakPolarHBondContact O-CB 3.38Å; F303-L306 PolarHBondContact O-N 3.3Å; F303-L306 VanDerWaalsContact O-N 3.09Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.99Å; L306-L309 HydrophobicContact CD2-CD1 4.19Å; L306-L309 PolarHBondContact O-N 2.62Å; L306-N310 PolarHBondContact O-N 2.85Å; L306-N310 PolarHBondContact O-ND2 2.98Å
307I75.1Confident77.3Confident13 Ų1330.5 Ų30.57%0.06717%0.165CC..Hα-helixtrans-65.1-45.1174.1-62173000110.2F172 N179 F303 S304 T305 L309 N310F172-I307 HydrophobicContact CD2-CD1 4.25Å; F172-I307 HydrophobicContact CD2-CG1 4.5Å; F172-I307 HydrophobicContact CE2-CD1 4.23Å; F172-I307 HydrophobicContact CE2-CG1 3.98Å; N179-I307 HydrophobicContact CB-CG2 3.97Å; F303-I307 PolarHBondContact O-N 3.24Å; F303-I307 VanDerWaalsContact O-N 3.11Å; S304-I307 CarbonylContact O-C 3.6Å; S304-I307 WeakPolarHBondContact O-CA 3.25Å; S304-I307 WeakPolarHBondContact O-CB 3.48Å; S304-I307 PolarHBondContact O-N 2.84Å; T305-I307 VanDerWaalsContact C-N 3.33Å; I307-L309 VanDerWaalsContact C-N 3.27Å; I307-L309 PolarHBondContact O-N 3.43Å; I307-N310 WeakPolarHBondContact O-CA 3.47Å; I307-N310 WeakPolarHBondContact O-CB 3.47Å; I307-N310 PolarHBondContact O-N 2.95Å
308D75.2Confident75.4Confident71 Ų7128.6 Ų28.638%0.3817%0.165SC..Hα-helixtrans-61.9-37.2176.5-73.2-18.3000112.3S304 T305 N310 S311 K312S304-D308 PolarHBondContact O-N 2.86Å; T305-D308 PolarHBondContact O-N 3.26Å; D308-N310 PolarHBondContact O-N 3.34Å; D308-S311 PolarHBondContact O-N 3.13Å; D308-S311 VanDerWaalsContact O-N 3.15Å; D308-S311 PolarHBondContact O-OG 2.98Å; D308-K312 PolarHBondContact O-N 3.34Å
309L75.8Confident73.4Confident3 Ų327 Ų272%0.01616%0.159CC..Hα-helixtrans-62.8-31174-70.6166.9000111.9F9 I138 K141 V142 T305 L306 I307 S311 K312 V313F9-L309 HydrophobicContact CZ-CB 4.46Å; I138-L309 HydrophobicContact CB-CD2 4.23Å; I138-L309 HydrophobicContact CG1-CD2 3.74Å; I138-L309 HydrophobicContact CG2-CD2 4.25Å; K141-L309 HydrophobicContact CB-CD1 3.83Å; K141-L309 HydrophobicContact CB-CD2 4.38Å; K141-L309 HydrophobicContact CD-CD1 4.31Å; K141-L309 HydrophobicContact CD-CD2 3.92Å; K141-L309 HydrophobicContact CD-CG 4.5Å; V142-L309 HydrophobicContact CG2-CD1 4.42Å; T305-L309 HydrophobicContact CG2-CD1 4.17Å; T305-L309 HydrophobicContact CG2-CG 4.47Å; T305-L309 WeakPolarHBondContact O-CB 3.31Å; T305-L309 WeakPolarHBondContact O-CD1 3.14Å; T305-L309 WeakPolarHBondContact O-CG 3.46Å; T305-L309 PolarHBondContact O-N 2.99Å; L306-L309 HydrophobicContact CD2-CD1 4.19Å; L306-L309 PolarHBondContact O-N 2.62Å; I307-L309 VanDerWaalsContact C-N 3.27Å; I307-L309 PolarHBondContact O-N 3.43Å; L309-S311 VanDerWaalsContact C-N 3.3Å; L309-S311 PolarHBondContact O-N 3.42Å; L309-K312 PolarHBondContact O-N 3.49Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 VanDerWaalsContact O-CG2 3.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.46Å; L309-V313 PolarHBondContact O-N 3.25Å
310N68.8Low71.2Confident40 Ų4028.4 Ų28.421%0.21417%0.171CC..Hα-helixtrans-57.8-41.6172.2-75.3-91.7000112.3F9 L306 I307 D308 K312 V313 S314F9-N310 HydrophobicContact CD2-CB 4.33Å; F9-N310 VanDerWaalsContact CD2-CG 3.42Å; F9-N310 WeakPolarHBondContact CD2-OD1 3.32Å; F9-N310 HydrophobicContact CE2-CB 4.15Å; F9-N310 WeakPolarHBondContact CE2-OD1 3.37Å; L306-N310 PolarHBondContact O-N 2.85Å; L306-N310 PolarHBondContact O-ND2 2.98Å; I307-N310 WeakPolarHBondContact O-CA 3.47Å; I307-N310 WeakPolarHBondContact O-CB 3.47Å; I307-N310 PolarHBondContact O-N 2.95Å; D308-N310 PolarHBondContact O-N 3.34Å; N310-K312 PolarHBondContact O-N 3.04Å; N310-V313 PolarHBondContact O-N 3.4Å; N310-S314 WeakPolarHBondContact O-CB 3.39Å; N310-S314 PolarHBondContact O-N 3.01Å
311S67.5Low69.1Low47 Ų4730.2 Ų30.233%0.32918%0.179SC..Hα-helixtrans-62.9-43.8178.373.70000111.7D308 L309 S314 D315D308-S311 PolarHBondContact O-N 3.13Å; D308-S311 VanDerWaalsContact O-N 3.15Å; D308-S311 PolarHBondContact O-OG 2.98Å; L309-S311 VanDerWaalsContact C-N 3.3Å; L309-S311 PolarHBondContact O-N 3.42Å; S311-S314 VanDerWaalsContact O-CB 3.31Å; S311-S314 WeakPolarHBondContact O-CB 3.26Å; S311-S314 PolarHBondContact O-N 3.49Å; S311-D315 PolarHBondContact O-N 3.06Å; S311-D315 VanDerWaalsContact O-N 3.14Å
312K72.1Confident67.2Low66 Ų6631.3 Ų31.329%0.28718%0.177SC..Hα-helixtrans-67.8-39.9177.9-62.5-170.6177.2-164.20112.5V134 I138 D308 L309 N310 S314 D315 M316V134-K312 HydrophobicContact CG1-CB 4.23Å; V134-K312 WeakPolarHBondContact CG1-O 3.41Å; I138-K312 HydrophobicContact CD1-CB 3.89Å; I138-K312 HydrophobicContact CG1-CB 4.39Å; D308-K312 PolarHBondContact O-N 3.34Å; L309-K312 PolarHBondContact O-N 3.49Å; N310-K312 PolarHBondContact O-N 3.04Å; K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 3.33Å; K312-D315 WeakPolarHBondContact O-CB 3.39Å; K312-D315 PolarHBondContact O-N 3.27Å; K312-M316 PolarHBondContact O-N 3.25Å; K312-M316 VanDerWaalsContact O-N 3.14Å
313V66Low65.2Low2 Ų233.5 Ų33.51%0.01219%0.185CC..Hα-helixtrans-61.4-38.8172.3166.80000110.8V7 F9 F13 I138 L309 N310 D315 M316 A317V7-V313 HydrophobicContact CG1-CG1 4.34Å; F9-V313 HydrophobicContact CE2-CB 4.04Å; F9-V313 HydrophobicContact CE2-CG1 4.34Å; F9-V313 HydrophobicContact CE2-CG2 3.68Å; F9-V313 HydrophobicContact CZ-CG2 3.89Å; F13-V313 HydrophobicContact CD2-CG1 3.34Å; F13-V313 HydrophobicContact CD2-CG2 4.43Å; F13-V313 HydrophobicContact CE1-CG2 4.41Å; F13-V313 HydrophobicContact CE2-CB 4.02Å; F13-V313 HydrophobicContact CE2-CG1 3.21Å; F13-V313 HydrophobicContact CE2-CG2 3.53Å; F13-V313 HydrophobicContact CG-CG1 4.2Å; F13-V313 HydrophobicContact CZ-CB 4.43Å; F13-V313 HydrophobicContact CZ-CG1 3.98Å; F13-V313 HydrophobicContact CZ-CG2 3.51Å; I138-V313 HydrophobicContact CD1-CG2 3.63Å; L309-V313 WeakPolarHBondContact O-CB 3.46Å; L309-V313 VanDerWaalsContact O-CG2 3.32Å; L309-V313 WeakPolarHBondContact O-CG2 3.46Å; L309-V313 PolarHBondContact O-N 3.25Å; N310-V313 PolarHBondContact O-N 3.4Å; V313-D315 VanDerWaalsContact C-N 3.29Å; V313-D315 PolarHBondContact O-N 2.92Å; V313-M316 CarbonylContact O-C 3.6Å; V313-M316 PolarHBondContact O-N 3.33Å; V313-A317 WeakPolarHBondContact O-CB 3.44Å; V313-A317 PolarHBondContact O-N 2.88Å
314S62.2Low63.1Low18 Ų1835.9 Ų35.913%0.12620%0.198CC..Hα-helixtrans-60-40.6175.4-172.80000111.9N310 S311 K312 A317 G318N310-S314 WeakPolarHBondContact O-CB 3.39Å; N310-S314 PolarHBondContact O-N 3.01Å; S311-S314 VanDerWaalsContact O-CB 3.31Å; S311-S314 WeakPolarHBondContact O-CB 3.26Å; S311-S314 PolarHBondContact O-N 3.49Å; K312-S314 VanDerWaalsContact C-N 3.28Å; K312-S314 PolarHBondContact O-N 3.33Å; S314-A317 PolarHBondContact O-N 2.95Å; S314-G318 PolarHBondContact O-N 3.26Å
315D63.2Low61Low63 Ų6340.3 Ų40.334%0.33722%0.219SC..Hα-helixtrans-64.2-39.7175.1-69.8-19.8000112.1S311 K312 V313 G318 T319S311-D315 PolarHBondContact O-N 3.06Å; S311-D315 VanDerWaalsContact O-N 3.14Å; K312-D315 WeakPolarHBondContact O-CB 3.39Å; K312-D315 PolarHBondContact O-N 3.27Å; V313-D315 VanDerWaalsContact C-N 3.29Å; V313-D315 PolarHBondContact O-N 2.92Å; D315-G318 PolarHBondContact O-N 3.41Å; D315-T319 PolarHBondContact O-N 3.23Å
316M61.4Low59.1Low13 Ų1343.5 Ų43.56%0.06424%0.235CC..Hα-helixtrans-68.8-36174.3177.7-172.4-77.600112.5L20 T131 V134 F135 K312 V313 G318 T319 A320L20-M316 HydrophobicContact CD1-SD 4.3Å; T131-M316 HydrophobicContact CG2-CE 4.12Å; T131-M316 HydrophobicContact CG2-CG 4.24Å; T131-M316 HydrophobicContact CG2-SD 4.43Å; T131-M316 WeakPolarHBondContact O-CE 3.22Å; V134-M316 HydrophobicContact CB-CB 4.42Å; V134-M316 HydrophobicContact CB-CE 3.81Å; V134-M316 HydrophobicContact CG1-CB 3.98Å; V134-M316 HydrophobicContact CG1-CE 3.77Å; F135-M316 HydrophobicContact CB-CE 3.77Å; F135-M316 VanDerWaalsContact N-CE 3.32Å; K312-M316 PolarHBondContact O-N 3.25Å; K312-M316 VanDerWaalsContact O-N 3.14Å; V313-M316 CarbonylContact O-C 3.6Å; V313-M316 PolarHBondContact O-N 3.33Å; M316-G318 VanDerWaalsContact C-N 3.3Å; M316-T319 PolarHBondContact O-N 3.01Å; M316-T319 PolarHBondContact O-OG1 3.47Å; M316-A320 WeakPolarHBondContact O-CB 2.84Å; M316-A320 PolarHBondContact O-N 3.43Å
317A52.5Low57.1Low9 Ų945.2 Ų45.27%0.07424%0.244CC..Hα-helixtrans-74.3-26.8177.300000111.6V7 V313 S314 T319 A320 H321V7-A317 HydrophobicContact CB-CB 3.81Å; V7-A317 HydrophobicContact CG1-CB 3.12Å; V7-A317 HydrophobicContact CG2-CB 3.35Å; V313-A317 WeakPolarHBondContact O-CB 3.44Å; V313-A317 PolarHBondContact O-N 2.88Å; S314-A317 PolarHBondContact O-N 2.95Å; A317-T319 VanDerWaalsContact C-N 3.27Å; A317-T319 PolarHBondContact O-N 3.29Å; A317-A320 PolarHBondContact O-N 3.41Å; A317-H321 WeakPolarHBondContact O-CA 3.33Å; A317-H321 WeakPolarHBondContact O-CB 3.33Å; A317-H321 PolarHBondContact O-N 3.06Å
318G51.5Low55.3Low41 Ų4152.4 Ų52.442%0.42328%0.275SS..Hα-helixtrans-58.4-40.2168.400000112.1S314 D315 M316S314-G318 PolarHBondContact O-N 3.26Å; D315-G318 PolarHBondContact O-N 3.41Å; M316-G318 VanDerWaalsContact C-N 3.3Å
319T51.4Low53.5Low2 Ų253.1 Ų53.11%0.01229%0.29CS..Hα-helixtrans-75.8-44.9174.459.40000111.6D127 R130 T131 D315 M316 A317 H321 R322D127-T319 WeakPolarHBondContact OD1-CG2 3.39Å; R130-T319 HydrophobicContact CG-CG2 4.35Å; T131-T319 PolarHBondContact OG1-OG1 3.34Å; D315-T319 PolarHBondContact O-N 3.23Å; M316-T319 PolarHBondContact O-N 3.01Å; M316-T319 PolarHBondContact O-OG1 3.47Å; A317-T319 VanDerWaalsContact C-N 3.27Å; A317-T319 PolarHBondContact O-N 3.29Å; T319-H321 PolarHBondContact O-N 3.41Å; T319-R322 PolarHBondContact O-N 3.13Å
320A47.6Very low51.6Low30 Ų3058 Ų5825%0.24832%0.316CS..Hα-helixtrans-72.5-26.9-177.600000114.3M316 A317 R322 H323M316-A320 WeakPolarHBondContact O-CB 2.84Å; M316-A320 PolarHBondContact O-N 3.43Å; A317-A320 PolarHBondContact O-N 3.41Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-H323 VanDerWaalsContact O-CB 3.3Å; A320-H323 WeakPolarHBondContact O-CB 3.34Å; A320-H323 PolarHBondContact O-N 3.39Å
321H47.7Very low49.7Very low42 Ų4261.8 Ų61.819%0.19435%0.346CS..Hα-helixtrans-73.7-24.5178.9-172.1-63000111.8V5 A317 T319 H323 D324V5-H321 VanDerWaalsContact CB-CD2 3.45Å; V5-H321 WeakPolarHBondContact CB-CD2 3.49Å; V5-H321 WeakPolarHBondContact CB-NE2 3.36Å; V5-H321 WeakPolarHBondContact CG2-NE2 3.3Å; A317-H321 WeakPolarHBondContact O-CA 3.33Å; A317-H321 WeakPolarHBondContact O-CB 3.33Å; A317-H321 PolarHBondContact O-N 3.06Å; T319-H321 PolarHBondContact O-N 3.41Å; H321-H323 PolarHBondContact O-N 3.25Å; H321-D324 PolarHBondContact O-N 3.25Å
322R50.3Low47.8Very low109 Ų10962 Ų6241%0.41136%0.356SS..Hα-helixtrans-60-27.1169.9-68.7178178.2163.92.2111.1E194 T319 A320E194-R322 IonicContact OE2-CZ 2.77Å; E194-R322 IonicContact OE2-NH1 3.8Å; E194-R322 IonicContact OE2-NH2 3.69Å; E194-R322 PolarHBondContact OE2-NH2 3.43Å; T319-R322 PolarHBondContact O-N 3.13Å; A320-R322 VanDerWaalsContact C-N 3.3Å
323H46.7Very low45.6Very low58 Ų5863.9 Ų63.927%0.26938%0.377SS..Hα-helixtrans-74.1-21.6174.4-60.8-54.1000115A320 H321 N327A320-H323 VanDerWaalsContact O-CB 3.3Å; A320-H323 WeakPolarHBondContact O-CB 3.34Å; A320-H323 PolarHBondContact O-N 3.39Å; H321-H323 PolarHBondContact O-N 3.25Å; H323-N327 VanDerWaalsContact O-CB 3.29Å; H323-N327 WeakPolarHBondContact O-CB 3.38Å; H323-N327 PolarHBondContact O-N 2.86Å; H323-N327 PolarHBondContact O-ND2 2.79Å
324D42.3Very low43.9Very low59 Ų5970.9 Ų70.932%0.31642%0.42SS..Hα-helixtrans-94.7-16.5-172.4-128.39.3000112.7R16 H321R16-D324 IonicContact CZ-OD2 2.93Å; R16-D324 IonicContact NH2-OD2 3.54Å; R16-D324 PolarHBondContact NH2-OD2 2.76Å; H321-D324 PolarHBondContact O-N 3.25Å
325E40.5Very low42.2Very low99 Ų9975 Ų7546%0.46344%0.444SS..Hα-helixtrans-75.1-28.7174.2-71.9-157.710800112.6K2K2-E325 VanDerWaalsContact CD-OE1 3.29Å; K2-E325 WeakPolarHBondContact CD-OE1 3.42Å; K2-E325 IonicContact NZ-OE1 3.23Å; K2-E325 PolarHBondContact NZ-OE1 2.77Å
326D41.7Very low40.4Very low98 Ų9880.5 Ų80.552%0.52447%0.468SS..Hα-helixtrans-99.1-31.8-178.8-64.3-24000112.6K328 A329D326-K328 VanDerWaalsContact C-N 3.25Å; D326-K328 PolarHBondContact O-N 3.45Å; D326-A329 PolarHBondContact O-N 3.35Å
327N40.1Very low38.7Very low67 Ų6787.3 Ų87.336%0.35851%0.505SS..THydrogen-bonded Turntrans-72.4-9.2-179.2-84.9-37.9000115.3H323 A329H323-N327 VanDerWaalsContact O-CB 3.29Å; H323-N327 WeakPolarHBondContact O-CB 3.38Å; H323-N327 PolarHBondContact O-N 2.86Å; H323-N327 PolarHBondContact O-ND2 2.79Å; N327-A329 VanDerWaalsContact C-N 3.25Å; N327-A329 PolarHBondContact O-N 2.97Å
328K37Very low37.4Very low164 Ų16494.3 Ų94.371%0.71354%0.54SS*.THydrogen-bonded Turntrans-80.3-3.9174.8-78.3-176.2179.8174.90113.8D326D326-K328 VanDerWaalsContact C-N 3.25Å; D326-K328 PolarHBondContact O-N 3.45Å
329A38.1Very low36.1Very low85 Ų8598.2 Ų98.270%0.70256%0.559SS**SBendtrans-99.1-19.5-177.500000115.2D326 N327D326-A329 PolarHBondContact O-N 3.35Å; N327-A329 VanDerWaalsContact C-N 3.25Å; N327-A329 PolarHBondContact O-N 2.97Å
330D35.4Very low34.8Very low106 Ų106103.7 Ų103.757%0.56760%0.598SS**  trans-154.287.7179.2-116.2-21.3000110.7G332 K406D330-G332 VanDerWaalsContact C-N 3.33Å; D330-K406 IonicContact OD1-NZ 3.14Å; D330-K406 IonicContact OD2-NZ 2.77Å; D330-K406 PolarHBondContact OD2-NZ 3.11Å
331S29Very low33.9Very low119 Ų119108 Ų10883%0.83262%0.62SS**  trans-103.348.6162.922.90000109.8
332G27.9Very low32.9Very low52 Ų52116.8 Ų116.854%0.53665%0.654SS.*  trans-88118.8162.900000109.5D330 V334D330-G332 VanDerWaalsContact C-N 3.33Å; G332-V334 PolarHBondContact O-N 2.89Å
333S25.8Very low32Very low106 Ų106118.3 Ų118.374%0.74166%0.663SS**  trans-53.2115.1173.748.50000112.2
334V29.6Very low31.2Very low149 Ų149123.9 Ų123.990%0.90370%0.695SS**  trans-113.684.8157.2-174.90000106.7G332G332-V334 PolarHBondContact O-N 2.89Å
335T26Very low31.1Very low105 Ų105125.5 Ų125.564%0.64470%0.7SS**  trans-91.8132.616735.40000108.9
336E26.8Very low31.2Very low178 Ų178125.6 Ų125.683%0.83272%0.717SS**SBendtrans74.2141.6145.2-64.9174.3159.600119.1
337D25.7Very low31.8Very low156 Ų156123.6 Ų123.683%0.83472%0.719SS**  trans87.263163.5-58.3-16.5000120.4
338L25.2Very low32.9Very low155 Ų155124.2 Ų124.281%0.81272%0.721SS**  trans-107.688.4156.3-79164.5000110.3
339C23.5Very low34.3Very low124 Ų124119.2 Ų119.284%0.83871%0.706SS**SBendtrans169.899.9150.6-95.40000109.1
340S24.6Very low35.8Very low117 Ų117115.9 Ų115.982%0.81868%0.676SS**  trans150.871.7142.457.30000115
341V27.7Very low37.7Very low119 Ų119110.9 Ų110.972%0.72165%0.65SS**  trans-145.184.3156-1650000111.6K343V341-K343 HydrophobicContact CG1-CB 4.13Å; V341-K343 HydrophobicContact CG1-CD 4.16Å; V341-K343 HydrophobicContact CG1-CG 3.99Å
342Y27.6Very low39.7Very low228 Ų228107 Ų10789%0.89462%0.622SS**  trans-8999.5151.4-85.4-86000107.1
343K31.8Very low41.8Very low140 Ų140104.6 Ų104.661%0.60960%0.597SS**  trans-120.7131.2165.3-82.3-177.3179.9174.80108.4V341 F345V341-K343 HydrophobicContact CG1-CB 4.13Å; V341-K343 HydrophobicContact CG1-CD 4.16Å; V341-K343 HydrophobicContact CG1-CG 3.99Å; K343-F345 VanDerWaalsContact C-N 3.35Å; K343-F345 HydrophobicContact CB-CD2 3.74Å; K343-F345 HydrophobicContact CB-CE2 3.33Å; K343-F345 HydrophobicContact CB-CZ 4.08Å; K343-F345 HydrophobicContact CD-CE2 3.99Å; K343-F345 HydrophobicContact CD-CZ 4.08Å; K343-F345 HydrophobicContact CG-CE2 4.3Å; K343-F345 WeakPolarHBondContact O-CD2 3.39Å; K343-F345 PolarHBondContact O-N 3.13Å
344N28.7Very low43.8Very low175 Ų175104.9 Ų104.994%0.93659%0.587SS**  trans-61.696.7170.4-75-25000108.8
345F41.6Very low45.5Very low94 Ų94100.5 Ų100.541%0.41256%0.563SS.*  trans-108130.7162.1-67.7-73.9000106K343 M348 Q380K343-F345 VanDerWaalsContact C-N 3.35Å; K343-F345 HydrophobicContact CB-CD2 3.74Å; K343-F345 HydrophobicContact CB-CE2 3.33Å; K343-F345 HydrophobicContact CB-CZ 4.08Å; K343-F345 HydrophobicContact CD-CE2 3.99Å; K343-F345 HydrophobicContact CD-CZ 4.08Å; K343-F345 HydrophobicContact CG-CE2 4.3Å; K343-F345 WeakPolarHBondContact O-CD2 3.39Å; K343-F345 PolarHBondContact O-N 3.13Å; F345-M348 HydrophobicContact CB-CB 4.35Å; F345-M348 HydrophobicContact CB-CG 3.86Å; F345-M348 HydrophobicContact CB-SD 3.5Å; F345-M348 VanDerWaalsContact CB-SD 3.5Å; F345-M348 HydrophobicContact CD1-CE 3.43Å; F345-M348 VanDerWaalsContact CD1-CE 3.43Å; F345-M348 HydrophobicContact CD1-CG 4.09Å; F345-M348 HydrophobicContact CD1-SD 3.26Å; F345-M348 WeakPolarHBondContact CD1-SD 3.49Å; F345-M348 HydrophobicContact CD2-SD 3.8Å; F345-M348 HydrophobicContact CE1-CE 3.44Å; F345-M348 VanDerWaalsContact CE1-CE 3.44Å; F345-M348 HydrophobicContact CE1-SD 3.82Å; F345-M348 HydrophobicContact CE2-SD 4.28Å; F345-M348 HydrophobicContact CG-CE 4.04Å; F345-M348 HydrophobicContact CG-CG 4.17Å; F345-M348 HydrophobicContact CG-SD 3.23Å; F345-M348 WeakPolarHBondContact CG-SD 3.44Å; F345-M348 HydrophobicContact CZ-CE 4.06Å; F345-M348 HydrophobicContact CZ-SD 4.3Å; F345-Q380 PolarHBondContact O-NE2 3.34Å; F345-Q380 PolarHBondContact O-OE1 2.9Å
346A42.3Very low47.4Very low100 Ų10095.5 Ų95.583%0.82653%0.532SS*.SBendtrans-123.5118.6171.700000105.5
347G53Low49.3Very low56 Ų5687.1 Ų87.158%0.57749%0.493SS*.SBendtrans90.918.7179.100000115.7Q380G347-Q380 VanDerWaalsContact N-OE1 3.13Å
348M64.5Low51.1Low81 Ų8180.5 Ų80.540%0.39946%0.458SS..  trans-77.5146.4169.1-82.2-171.7148.700111.5F345 L350 Q380F345-M348 HydrophobicContact CB-CB 4.35Å; F345-M348 HydrophobicContact CB-CG 3.86Å; F345-M348 HydrophobicContact CB-SD 3.5Å; F345-M348 VanDerWaalsContact CB-SD 3.5Å; F345-M348 HydrophobicContact CD1-CE 3.43Å; F345-M348 VanDerWaalsContact CD1-CE 3.43Å; F345-M348 HydrophobicContact CD1-CG 4.09Å; F345-M348 HydrophobicContact CD1-SD 3.26Å; F345-M348 WeakPolarHBondContact CD1-SD 3.49Å; F345-M348 HydrophobicContact CD2-SD 3.8Å; F345-M348 HydrophobicContact CE1-CE 3.44Å; F345-M348 VanDerWaalsContact CE1-CE 3.44Å; F345-M348 HydrophobicContact CE1-SD 3.82Å; F345-M348 HydrophobicContact CE2-SD 4.28Å; F345-M348 HydrophobicContact CG-CE 4.04Å; F345-M348 HydrophobicContact CG-CG 4.17Å; F345-M348 HydrophobicContact CG-SD 3.23Å; F345-M348 WeakPolarHBondContact CG-SD 3.44Å; F345-M348 HydrophobicContact CZ-CE 4.06Å; F345-M348 HydrophobicContact CZ-SD 4.3Å; M348-L350 PolarHBondContact O-N 2.87Å; M348-Q380 PolarHBondContact O-N 3.36Å
349C66.1Low52.9Low58 Ų5877.3 Ų77.339%0.39244%0.436SS..EExtended strand (participates in β ladder)trans-70.1116.6163.7-167.80000107.2I351C349-I351 PolarHBondContact SG-O 2.98Å
350L69.9Low54.8Low15 Ų1575.6 Ų75.68%0.07942%0.418CS..EExtended strand (participates in β ladder)trans-83.8-35.1-177.6-63.4170.6000111.1M348 I378 Q380 L490 T518M348-L350 PolarHBondContact O-N 2.87Å; L350-I378 WeakPolarHBondContact CB-O 3.23Å; L350-I378 PolarHBondContact N-O 3.01Å; L350-Q380 HydrophobicContact CD1-CB 3.91Å; L350-Q380 HydrophobicContact CD1-CG 4.34Å; L350-Q380 HydrophobicContact CD2-CB 4.38Å; L350-Q380 HydrophobicContact CG-CB 4.09Å; L350-L490 HydrophobicContact CB-CD2 4.46Å; L350-L490 HydrophobicContact CD1-CB 4.24Å; L350-L490 HydrophobicContact CD1-CD1 4.22Å; L350-T518 HydrophobicContact CD1-CG2 4.19Å
351I73.6Confident56.3Low2 Ų274.5 Ų74.51%0.0141%0.408CS..EExtended strand (participates in β ladder)trans-145.2126177.3-55.9179.8000108.3C349 L353 D377 I378 L401 L490 F492C349-I351 PolarHBondContact SG-O 2.98Å; I351-L353 HydrophobicContact CG2-CD2 4.04Å; I351-L353 HydrophobicContact CG2-CG 4.18Å; I351-D377 WeakPolarHBondContact O-CA 3.35Å; I351-I378 HydrophobicContact CB-CB 4.19Å; I351-I378 HydrophobicContact CB-CD1 4.18Å; I351-I378 HydrophobicContact CB-CG1 4.47Å; I351-I378 HydrophobicContact CD1-CD1 4.19Å; I351-I378 PolarHBondContact N-O 3.34Å; I351-I378 PolarHBondContact O-N 2.86Å; I351-L401 HydrophobicContact CD1-CD2 4.17Å; I351-L401 HydrophobicContact CG2-CD2 3.89Å; I351-L490 HydrophobicContact CD1-CD2 3.61Å; I351-L490 HydrophobicContact CG1-CD2 4.13Å; I351-F492 HydrophobicContact CD1-CE1 4.49Å; I351-F492 HydrophobicContact CD1-CZ 3.65Å
352S72.3Confident57.7Low37 Ų3777.9 Ų77.926%0.25942%0.416SS..EExtended strand (participates in β ladder)trans-113.3120.6171.4-172.70000108.1D377S352-D377 PolarHBondContact OG-OD1 3.24Å
353L71.3Confident58.5Low1 Ų169.2 Ų69.21%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-106.5129.8171.9-61.3-179.2000108.6I351 V356 T375 I376 F397 M400 L401 N412I351-L353 HydrophobicContact CG2-CD2 4.04Å; I351-L353 HydrophobicContact CG2-CG 4.18Å; L353-V356 HydrophobicContact CB-CG2 3.91Å; L353-V356 HydrophobicContact CD2-CG2 4.07Å; L353-V356 HydrophobicContact CG-CG2 4.48Å; L353-T375 WeakPolarHBondContact O-CA 3.37Å; L353-T375 WeakPolarHBondContact O-CG2 3.42Å; L353-I376 HydrophobicContact CB-CG2 4.24Å; L353-I376 HydrophobicContact CD1-CG2 3.78Å; L353-I376 HydrophobicContact CG-CG2 4.27Å; L353-I376 PolarHBondContact N-O 3.5Å; L353-I376 PolarHBondContact O-N 3.33Å; L353-F397 HydrophobicContact CD1-CE2 3.6Å; L353-F397 HydrophobicContact CD1-CZ 3.7Å; L353-M400 HydrophobicContact CD1-CE 3.94Å; L353-M400 HydrophobicContact CD2-CE 4.4Å; L353-M400 HydrophobicContact CD2-SD 4.13Å; L353-L401 HydrophobicContact CD1-CD2 3.72Å; L353-L401 HydrophobicContact CD2-CD2 4.09Å; L353-L401 HydrophobicContact CG-CD2 4.2Å; L353-N412 HydrophobicContact CD2-CB 4.22Å; L353-N412 VanDerWaalsContact CD2-OD1 3.22Å; L353-N412 WeakPolarHBondContact CD2-OD1 2.93Å
354E68.9Low59.1Low112 Ų11271 Ų7152%0.52341%0.405SS..EExtended strand (participates in β ladder)trans-121.9107.7174.4-66.8-173.3179.900110.2V356 G410E354-V356 PolarHBondContact O-N 2.83Å; E354-G410 WeakPolarHBondContact O-CA 3.42Å
355S64.3Low59.5Low57 Ų5767.3 Ų67.340%0.39939%0.389SS..EExtended strand (participates in β ladder)trans51.754.3175.3-51.40000114.6L374 T375S355-L374 PolarHBondContact N-O 3.26Å; S355-L374 VanDerWaalsContact N-O 3.15Å; S355-T375 PolarHBondContact N-OG1 3.46Å
356V66Low59Low1 Ų169.5 Ų69.51%0.00641%0.414CS..EExtended strand (participates in β ladder)trans-92.1109.5-169.1178.90000113.6L353 E354 L372 L374 M400 A407 N412L353-V356 HydrophobicContact CB-CG2 3.91Å; L353-V356 HydrophobicContact CD2-CG2 4.07Å; L353-V356 HydrophobicContact CG-CG2 4.48Å; E354-V356 PolarHBondContact O-N 2.83Å; V356-L372 CarbonylContact C-O 3.58Å; V356-L374 PolarHBondContact N-O 2.87Å; V356-M400 HydrophobicContact CG1-CE 3.96Å; V356-M400 HydrophobicContact CG1-SD 4.24Å; V356-A407 HydrophobicContact CG1-CB 3.73Å; V356-N412 WeakPolarHBondContact CG2-OD1 3.22Å
357S66Low58.7Low2 Ų269.8 Ų69.81%0.01440%0.401CS..EExtended strand (participates in β ladder)trans-88.3134.4177.3-73.60000113.8T371S357-T371 WeakPolarHBondContact OG-CG2 3.27Å
358L64.9Low58.1Low16 Ų1671.4 Ų71.48%0.08440%0.402CS..BIsolated β-bridgetrans-114.5129.4-176.5-84.2161.9000112.5Y370 F397 M400 W405L358-Y370 PolarHBondContact N-O 2.98Å; L358-F397 HydrophobicContact CD1-CB 4.18Å; L358-F397 HydrophobicContact CD1-CD2 3.86Å; L358-M400 HydrophobicContact CD1-CE 3.97Å; L358-M400 HydrophobicContact CD2-CB 3.63Å; L358-M400 HydrophobicContact CD2-CG 3.88Å; L358-W405 HydrophobicContact CD2-CE3 4.39Å
359Y62.3Low57Low89 Ų8970.4 Ų70.435%0.34940%0.402SS..  trans-126.2141.5175.1-65.1-88.9000110.9S369 T371Y359-S369 VanDerWaalsContact CE1-CB 3.45Å; Y359-T371 WeakPolarHBondContact OH-CG2 3.32Å
360L63.9Low56.2Low87 Ų8770.5 Ų70.546%0.45540%0.395SS..  trans-70.4133174.4-85.888.7000110.4E362 Y370 W405L360-E362 PolarHBondContact O-N 2.86Å; L360-Y370 HydrophobicContact CD1-CD2 4.47Å; L360-Y370 HydrophobicContact CD1-CE2 4.29Å; L360-W405 HydrophobicContact CG-CH2 4.29Å
361P56.7Low55.2Low95 Ų9573 Ų7362%0.61741%0.411SS*.THydrogen-bonded Turntrans-60.9-14.6-176.4-25.633.2000116.9W405P361-W405 HydrophobicContact CG-CD2 4.23Å; P361-W405 HydrophobicContact CG-CH2 4.47Å; P361-W405 HydrophobicContact CG-CZ2 4Å
362E55.1Low54.3Low190 Ų19073.2 Ų73.289%0.88841%0.412SS*.THydrogen-bonded Turntrans-122.9-0.3-169.9-72.3-167.8151.400116.1L360 N364L360-E362 PolarHBondContact O-N 2.86Å; E362-N364 PolarHBondContact O-N 2.73Å
363S45.4Very low53.7Low45 Ų4576.6 Ų76.632%0.31543%0.427SS..  trans-91.189.3177.378.70000111.6T365S363-T365 WeakPolarHBondContact CB-O 3.36Å; S363-T365 PolarHBondContact O-N 3.46Å; S363-T365 PolarHBondContact OG-O 2.96Å
364N44.5Very low53.4Low178 Ų17876.6 Ų76.695%0.95243%0.427SS*.  trans-64.25.2157.6-91.7-21.8000113E362E362-N364 PolarHBondContact O-N 2.73Å
365T36.7Very low53.4Low98 Ų9874.8 Ų74.860%0.60142%0.424SS*.SBendtrans-106.7131.1172.6480000108.6S363 L367S363-T365 WeakPolarHBondContact CB-O 3.36Å; S363-T365 PolarHBondContact O-N 3.46Å; S363-T365 PolarHBondContact OG-O 2.96Å; T365-L367 PolarHBondContact O-N 2.98Å
366C31.8Very low53.9Low139 Ų13973 Ų7394%0.93941%0.409SS*.  trans-57.464.6171.7-58.30000112.7
367L35.8Very low54.5Low106 Ų10677 Ų7756%0.55543%0.431SS*.  trans-67.8139.6153-73.3165.1000106T365 S369T365-L367 PolarHBondContact O-N 2.98Å; L367-S369 PolarHBondContact O-N 3.33Å
368P39.6Very low55.2Low91 Ų9177.2 Ų77.259%0.59143%0.432SS*.  trans-51.3123.5-173.621-31000108.4Y370P368-Y370 PolarHBondContact O-N 3.2Å
369S42.2Very low56Low60 Ų6078.6 Ų78.642%0.4244%0.441SS..  trans-39.3113.1162.2-20.80000106.8Y359 L367 T371Y359-S369 VanDerWaalsContact CE1-CB 3.45Å; L367-S369 PolarHBondContact O-N 3.33Å; S369-T371 PolarHBondContact O-N 3.48Å
370Y49.9Very low57Low60 Ų6076.1 Ų76.124%0.23543%0.433CS..BIsolated β-bridgetrans-77.867162.5-57.2-75000105.7L358 L360 P368 L372L358-Y370 PolarHBondContact N-O 2.98Å; L360-Y370 HydrophobicContact CD1-CD2 4.47Å; L360-Y370 HydrophobicContact CD1-CE2 4.29Å; P368-Y370 PolarHBondContact O-N 3.2Å; Y370-L372 PolarHBondContact O-N 2.89Å
371T47.9Very low57.9Low67 Ų6774.1 Ų74.141%0.41143%0.433SS..  trans-6987.7166350000105.8S357 Y359 S369S357-T371 WeakPolarHBondContact OG-CG2 3.27Å; Y359-T371 WeakPolarHBondContact OH-CG2 3.32Å; S369-T371 PolarHBondContact O-N 3.48Å
372L55.6Low59.4Low7 Ų774.3 Ų74.34%0.03742%0.421CS..  trans-88.7108.3166.1-76.6139.5000105.2V356 Y370 L374 F538 G542 Y544V356-L372 CarbonylContact C-O 3.58Å; Y370-L372 PolarHBondContact O-N 2.89Å; L372-L374 HydrophobicContact CB-CB 4.24Å; L372-L374 HydrophobicContact CB-CD1 3.53Å; L372-L374 HydrophobicContact CB-CG 3.75Å; L372-L374 HydrophobicContact CD1-CD1 3.95Å; L372-L374 HydrophobicContact CD2-CD1 3.76Å; L372-L374 HydrophobicContact CD2-CG 4.02Å; L372-L374 HydrophobicContact CG-CD1 3.93Å; L372-L374 HydrophobicContact CG-CG 4.41Å; L372-L374 PolarHBondContact O-N 2.91Å; L372-F538 HydrophobicContact CD1-CD1 4.25Å; L372-F538 HydrophobicContact CD1-CE1 3.68Å; L372-F538 HydrophobicContact CD2-CD1 4.03Å; L372-F538 HydrophobicContact CD2-CE1 3.77Å; L372-F538 HydrophobicContact CG-CE1 4.38Å; L372-G542 WeakPolarHBondContact CD2-O 3.26Å; L372-Y544 HydrophobicContact CD2-CD1 3.79Å; L372-Y544 HydrophobicContact CD2-CG 4.36Å
373D58.4Low61Low107 Ų10766.3 Ų66.357%0.57238%0.384SS*.  trans-72.863.5162.7-78.7-27000108.4T375 Y544D373-T375 PolarHBondContact O-N 3.07Å; D373-Y544 PolarHBondContact O-OH 3.39Å
374L65.7Low63.2Low1 Ų164.5 Ų64.51%0.00537%0.371CS..  trans-77.8113.8-178.1-94.6161.8000108.4S355 V356 L372 F397 L536 F538 Y544S355-L374 PolarHBondContact N-O 3.26Å; S355-L374 VanDerWaalsContact N-O 3.15Å; V356-L374 PolarHBondContact N-O 2.87Å; L372-L374 HydrophobicContact CB-CB 4.24Å; L372-L374 HydrophobicContact CB-CD1 3.53Å; L372-L374 HydrophobicContact CB-CG 3.75Å; L372-L374 HydrophobicContact CD1-CD1 3.95Å; L372-L374 HydrophobicContact CD2-CD1 3.76Å; L372-L374 HydrophobicContact CD2-CG 4.02Å; L372-L374 HydrophobicContact CG-CD1 3.93Å; L372-L374 HydrophobicContact CG-CG 4.41Å; L372-L374 PolarHBondContact O-N 2.91Å; L374-F397 HydrophobicContact CD1-CD2 3.98Å; L374-F397 HydrophobicContact CD1-CE2 3.72Å; L374-F397 HydrophobicContact CD1-CZ 4.46Å; L374-L536 HydrophobicContact CD2-CD1 3.97Å; L374-L536 HydrophobicContact CD2-CD2 4.23Å; L374-F538 HydrophobicContact CD1-CE1 3.99Å; L374-F538 HydrophobicContact CD1-CZ 4.05Å; L374-Y544 HydrophobicContact CB-CE1 4.34Å; L374-Y544 HydrophobicContact CD2-CD1 3.57Å; L374-Y544 HydrophobicContact CD2-CD2 3.62Å; L374-Y544 HydrophobicContact CD2-CE1 3.62Å; L374-Y544 HydrophobicContact CD2-CE2 3.66Å; L374-Y544 HydrophobicContact CD2-CG 3.57Å; L374-Y544 HydrophobicContact CG-CD1 3.72Å; L374-Y544 HydrophobicContact CG-CE1 3.7Å; L374-Y544 HydrophobicContact CG-CG 4.19Å
375T68.1Low65.4Low75 Ų7556.1 Ų56.146%0.4633%0.326SS..  trans-112.2111.6165.3-52.80000108.2L353 S355 D373 Y544L353-T375 WeakPolarHBondContact O-CA 3.37Å; L353-T375 WeakPolarHBondContact O-CG2 3.42Å; S355-T375 PolarHBondContact N-OG1 3.46Å; D373-T375 PolarHBondContact O-N 3.07Å; T375-Y544 PolarHBondContact N-OH 3.41Å
376I75.2Confident68Low18 Ų1851.4 Ų51.49%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-148.5134.6-179.1-165.6168.9000110.8L353 L384 F397 L536L353-I376 HydrophobicContact CB-CG2 4.24Å; L353-I376 HydrophobicContact CD1-CG2 3.78Å; L353-I376 HydrophobicContact CG-CG2 4.27Å; L353-I376 PolarHBondContact N-O 3.5Å; L353-I376 PolarHBondContact O-N 3.33Å; I376-L384 HydrophobicContact CD1-CD1 4.04Å; I376-L384 HydrophobicContact CD1-CD2 3.91Å; I376-F397 HydrophobicContact CG2-CZ 4.43Å; I376-L536 HydrophobicContact CD1-CD2 4.22Å
377D79.2Confident70.7Confident87 Ų8745.1 Ų45.147%0.46525%0.254SS..EExtended strand (participates in β ladder)trans-106.4119.4177.1-64.6-14.3000109.5I351 S352 V379I351-D377 WeakPolarHBondContact O-CA 3.35Å; S352-D377 PolarHBondContact OG-OD1 3.24Å; D377-V379 HydrophobicContact CB-CG2 4.49Å; D377-V379 PolarHBondContact O-N 3.14Å
378I80.6Confident73.1Confident5 Ų540.3 Ų40.33%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-91.8100.9172.9-60.5173.1000107.3L350 I351 L384 L401 L490 T518 V520L350-I378 WeakPolarHBondContact CB-O 3.23Å; L350-I378 PolarHBondContact N-O 3.01Å; I351-I378 HydrophobicContact CB-CB 4.19Å; I351-I378 HydrophobicContact CB-CD1 4.18Å; I351-I378 HydrophobicContact CB-CG1 4.47Å; I351-I378 HydrophobicContact CD1-CD1 4.19Å; I351-I378 PolarHBondContact N-O 3.34Å; I351-I378 PolarHBondContact O-N 2.86Å; I378-L384 HydrophobicContact CD1-CD2 4.39Å; I378-L384 HydrophobicContact CG1-CD2 4.37Å; I378-L401 HydrophobicContact CD1-CD1 4.24Å; I378-L401 HydrophobicContact CD1-CD2 4.42Å; I378-L490 HydrophobicContact CG2-CD1 4.07Å; I378-T518 HydrophobicContact CG2-CG2 4.4Å; I378-V520 HydrophobicContact CD1-CG2 4.07Å; I378-V520 HydrophobicContact CG2-CG2 4.17Å
379V82.4Confident75.2Confident46 Ų4641.4 Ų41.428%0.27923%0.231SC..EExtended strand (participates in β ladder)trans-91.9140.7178.3-176.50000110D377 G381 R382D377-V379 HydrophobicContact CB-CG2 4.49Å; D377-V379 PolarHBondContact O-N 3.14Å; V379-G381 PolarHBondContact O-N 3.07Å; V379-R382 HydrophobicContact CB-CB 4.32Å; V379-R382 WeakPolarHBondContact O-CB 3.12Å; V379-R382 PolarHBondContact O-N 3.4Å
380Q82Confident77Confident37 Ų3743.5 Ų43.517%0.17325%0.245CC..THydrogen-bonded Turntrans-56131.3177.2-172-172.510.100112.3F345 G347 M348 L350 R382 T518F345-Q380 PolarHBondContact O-NE2 3.34Å; F345-Q380 PolarHBondContact O-OE1 2.9Å; G347-Q380 VanDerWaalsContact N-OE1 3.13Å; M348-Q380 PolarHBondContact O-N 3.36Å; L350-Q380 HydrophobicContact CD1-CB 3.91Å; L350-Q380 HydrophobicContact CD1-CG 4.34Å; L350-Q380 HydrophobicContact CD2-CB 4.38Å; L350-Q380 HydrophobicContact CG-CB 4.09Å; Q380-R382 PolarHBondContact O-N 3.04Å; Q380-T518 WeakPolarHBondContact CA-OG1 3.36Å
381G83Confident78.2Confident44 Ų4446 Ų4645%0.45427%0.272SS..THydrogen-bonded Turntrans78.50.8-176.800000114.7V379 H383 T518V379-G381 PolarHBondContact O-N 3.07Å; G381-H383 PolarHBondContact O-NE2 2.89Å; G381-T518 PolarHBondContact N-OG1 3.47Å
382R87.4Confident79.6Confident99 Ų9943.2 Ų43.237%0.37426%0.255SS..  trans-100.8108.3169.5-166.3177.2-173.21713.6108.8V379 Q380 T518 D533 V534 E548V379-R382 HydrophobicContact CB-CB 4.32Å; V379-R382 WeakPolarHBondContact O-CB 3.12Å; V379-R382 PolarHBondContact O-N 3.4Å; Q380-R382 PolarHBondContact O-N 3.04Å; R382-T518 WeakPolarHBondContact O-CG2 3.38Å; R382-D533 HydrophobicContact CG-CB 4.08Å; R382-V534 HydrophobicContact CG-CG2 4.16Å; R382-E548 IonicContact CZ-OE1 3.01Å; R382-E548 IonicContact NH2-OE1 3.81Å; R382-E548 PolarHBondContact NH2-OE1 3.08Å
383H90.2Very high80.6Confident23 Ų2343.9 Ų43.911%0.10626%0.263CS..  trans-87.6129.4-172-54.4-78.5000110.7G381 L513 T517 I519 F531 H532 D533 V534G381-H383 PolarHBondContact O-NE2 2.89Å; H383-L513 WeakPolarHBondContact CE1-CD2 3.42Å; H383-L513 WeakPolarHBondContact NE2-CD2 3.45Å; H383-T517 PolarHBondContact CE1-O 2.63Å; H383-T517 VanDerWaalsContact CE1-O 3.26Å; H383-I519 CarbonylContact C-O 3.57Å; H383-I519 VanDerWaalsContact CA-O 3.3Å; H383-I519 WeakPolarHBondContact CA-O 3.42Å; H383-I519 HydrophobicContact CB-CB 4.43Å; H383-I519 PolarHBondContact ND1-N 3.33Å; H383-I519 VanDerWaalsContact ND1-N 3.13Å; H383-F531 WeakPolarHBondContact CB-O 3.35Å; H383-H532 HydrophobicContact CB-CB 4.49Å; H383-D533 IonicContact CD2-OD2 3.72Å; H383-D533 PolarHBondContact CD2-OD2 2.72Å; H383-D533 IonicContact CG-OD2 2.95Å; H383-D533 PolarHBondContact N-OD2 3.43Å; H383-D533 PolarHBondContact O-N 3.2Å; H383-V534 PolarHBondContact O-N 3.38Å; H383-V534 VanDerWaalsContact O-N 3.13Å
384L90.5Very high81.8Confident7 Ų739.3 Ų39.34%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-108.5126.4-174.8-179.665.2000111.3I376 I378 I386 I519 V520 S521 H532 V534 L536I376-L384 HydrophobicContact CD1-CD1 4.04Å; I376-L384 HydrophobicContact CD1-CD2 3.91Å; I378-L384 HydrophobicContact CD1-CD2 4.39Å; I378-L384 HydrophobicContact CG1-CD2 4.37Å; L384-I386 HydrophobicContact CD2-CG1 4.35Å; L384-I386 HydrophobicContact CG-CG1 4.37Å; L384-I519 PolarHBondContact N-O 2.89Å; L384-V520 HydrophobicContact CB-CG1 4.43Å; L384-V520 HydrophobicContact CB-CG2 4.19Å; L384-V520 HydrophobicContact CD2-CG1 4.21Å; L384-V520 CarbonylContact O-C 3.5Å; L384-V520 VanDerWaalsContact O-CA 3.28Å; L384-V520 WeakPolarHBondContact O-CA 3.36Å; L384-S521 PolarHBondContact O-N 2.88Å; L384-H532 PolarHBondContact O-CD2 2.86Å; L384-H532 VanDerWaalsContact O-CD2 3.26Å; L384-V534 HydrophobicContact CD1-CB 3.89Å; L384-V534 HydrophobicContact CD1-CG1 3.75Å; L384-L536 HydrophobicContact CD1-CB 3.95Å
385L92Very high82.5Confident1 Ų141.2 Ų41.21%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-102.3124.1171179.865.3000109.6T387 S521 I528 R529 H532 V534 E535 L536L385-T387 HydrophobicContact CD1-CG2 4.29Å; L385-T387 HydrophobicContact CD2-CG2 3.71Å; L385-T387 HydrophobicContact CG-CG2 3.63Å; L385-S521 CarbonylContact C-O 3.56Å; L385-S521 WeakPolarHBondContact CD1-OG 3.29Å; L385-I528 HydrophobicContact CD1-CD1 3.48Å; L385-I528 VanDerWaalsContact CD1-CD1 3.48Å; L385-I528 HydrophobicContact CD1-CG1 4.13Å; L385-R529 HydrophobicContact CD2-CG 3.6Å; L385-H532 HydrophobicContact CB-CB 3.79Å; L385-V534 PolarHBondContact N-O 2.94Å; L385-E535 HydrophobicContact CD2-CG 4.41Å; L385-E535 CarbonylContact O-C 3.59Å; L385-E535 VanDerWaalsContact O-CA 3.31Å; L385-E535 WeakPolarHBondContact O-CA 3.23Å; L385-L536 PolarHBondContact O-N 3.42Å
386I89.8Confident83Confident0 Ų038.7 Ų38.70%024%0.236CC..EExtended strand (participates in β ladder)trans-100.1118174.9-62.8163.4000108.7L384 K394 F397 L398 V520 S521 V522 G523 L536 F538L384-I386 HydrophobicContact CD2-CG1 4.35Å; L384-I386 HydrophobicContact CG-CG1 4.37Å; I386-K394 HydrophobicContact CG2-CB 4.05Å; I386-K394 HydrophobicContact CG2-CD 4.31Å; I386-K394 HydrophobicContact CG2-CG 4.11Å; I386-F397 HydrophobicContact CD1-CD1 3.83Å; I386-F397 HydrophobicContact CD1-CE1 3.93Å; I386-L398 HydrophobicContact CD1-CD2 3.73Å; I386-L398 HydrophobicContact CD1-CG 4.32Å; I386-V520 HydrophobicContact CD1-CG1 3.71Å; I386-V520 HydrophobicContact CG1-CG1 4.48Å; I386-S521 PolarHBondContact N-O 3.29Å; I386-V522 HydrophobicContact CB-CG2 3.77Å; I386-V522 HydrophobicContact CD1-CG2 4.14Å; I386-V522 HydrophobicContact CG2-CG2 3.92Å; I386-V522 WeakPolarHBondContact O-CA 3.45Å; I386-G523 PolarHBondContact O-N 3.32Å; I386-L536 CarbonylContact C-O 3.54Å; I386-L536 WeakPolarHBondContact CA-O 3.31Å; I386-L536 HydrophobicContact CG1-CD2 4.42Å; I386-F538 HydrophobicContact CG2-CD2 3.78Å; I386-F538 HydrophobicContact CG2-CE2 3.59Å
387T90.1Very high83.2Confident7 Ų738 Ų384%0.04323%0.232CC..EExtended strand (participates in β ladder)trans-124.6166.5178.270.80000111.1L385 G523 E535 L536 H537 F538L385-T387 HydrophobicContact CD1-CG2 4.29Å; L385-T387 HydrophobicContact CD2-CG2 3.71Å; L385-T387 HydrophobicContact CG-CG2 3.63Å; T387-G523 WeakPolarHBondContact CG2-O 3.48Å; T387-E535 WeakPolarHBondContact CB-OE1 3.16Å; T387-E535 HydrophobicContact CG2-CG 4.01Å; T387-E535 WeakPolarHBondContact CG2-OE1 3.17Å; T387-E535 PolarHBondContact OG1-OE1 2.89Å; T387-L536 PolarHBondContact N-O 2.84Å; T387-H537 CarbonylContact O-C 3.55Å; T387-H537 WeakPolarHBondContact O-CA 3.28Å; T387-H537 PolarHBondContact OG1-ND1 3.3Å; T387-F538 PolarHBondContact O-N 3.36Å
388G86Confident83.2Confident4 Ų433.8 Ų33.84%0.04121%0.21CC..EExtended strand (participates in β ladder)trans149.8163.6-177.900000111.5K394 H524 F538G388-K394 PolarHBondContact O-NZ 3.3Å; G388-H524 PolarHBondContact O-CE1 2.95Å; G388-F538 VanDerWaalsContact CA-O 3.23Å; G388-F538 WeakPolarHBondContact CA-O 3.37Å
389N82.7Confident83Confident115 Ų11538.6 Ų38.662%0.61523%0.227SC*.  trans-61.8165-178.5-71.2-17000112.4S391 C392 K394N389-S391 PolarHBondContact O-N 3.3Å; N389-C392 PolarHBondContact O-N 3.19Å; N389-C392 PolarHBondContact O-SG 3.47Å; N389-K394 PolarHBondContact O-NZ 3.45Å
390S80.9Confident82.7Confident103 Ų10336.4 Ų36.472%0.7221%0.214SC*.THydrogen-bonded Turntrans-56.1141.1169.9-54.90000109.8C392S390-C392 VanDerWaalsContact C-N 3.33Å; S390-C392 PolarHBondContact O-N 3.45Å
391S74Confident82.4Confident113 Ų11334.7 Ų34.779%0.7921%0.206SC*.THydrogen-bonded Turntrans68.213.6177.4-46.70000117.6N389 G393N389-S391 PolarHBondContact O-N 3.3Å; S391-G393 VanDerWaalsContact C-N 3.29Å; S391-G393 PolarHBondContact O-N 3.08Å
392C78.3Confident81.9Confident8 Ų834.1 Ų34.15%0.05420%0.195CC..SBendtrans-81.10.5174.665.20000115.2N389 S390 K394 F538N389-C392 PolarHBondContact O-N 3.19Å; N389-C392 PolarHBondContact O-SG 3.47Å; S390-C392 VanDerWaalsContact C-N 3.33Å; S390-C392 PolarHBondContact O-N 3.45Å; C392-K394 WeakPolarHBondContact SG-CG 3.42Å; C392-F538 HydrophobicContact CB-CB 4.12Å; C392-F538 VanDerWaalsContact SG-CB 3.53Å
393G75.7Confident81Confident21 Ų2131.7 Ų31.722%0.21620%0.2CC..SBendtrans101.77.5176.500000116.8S391 T395 S396 F397S391-G393 VanDerWaalsContact C-N 3.29Å; S391-G393 PolarHBondContact O-N 3.08Å; G393-T395 PolarHBondContact O-N 2.78Å; G393-S396 CarbonylContact O-C 3.49Å; G393-S396 WeakPolarHBondContact O-CA 3.23Å; G393-S396 VanDerWaalsContact O-CB 3.3Å; G393-S396 WeakPolarHBondContact O-CB 3.45Å; G393-S396 PolarHBondContact O-N 3.29Å; G393-F397 PolarHBondContact O-N 3.01Å
394K82.9Confident79.8Confident11 Ų1136.1 Ų36.15%0.04822%0.22CC..Hα-helixtrans-49-54.9-179.4-50.5-173.2-64.7-92.60114I386 G388 N389 C392 S396 F397 L398 V522 H524 F538I386-K394 HydrophobicContact CG2-CB 4.05Å; I386-K394 HydrophobicContact CG2-CD 4.31Å; I386-K394 HydrophobicContact CG2-CG 4.11Å; G388-K394 PolarHBondContact O-NZ 3.3Å; N389-K394 PolarHBondContact O-NZ 3.45Å; C392-K394 WeakPolarHBondContact SG-CG 3.42Å; K394-S396 VanDerWaalsContact C-N 3.29Å; K394-S396 PolarHBondContact O-N 2.93Å; K394-F397 WeakPolarHBondContact O-CB 3.25Å; K394-F397 PolarHBondContact O-N 3.29Å; K394-L398 PolarHBondContact O-N 2.97Å; K394-V522 HydrophobicContact CB-CG1 3.98Å; K394-V522 HydrophobicContact CB-CG2 4.14Å; K394-V522 HydrophobicContact CD-CG1 3.9Å; K394-H524 PolarHBondContact NZ-CE1 2.82Å; K394-H524 VanDerWaalsContact NZ-CE1 3.27Å; K394-H524 PolarHBondContact NZ-NE2 2.86Å; K394-H524 VanDerWaalsContact NZ-NE2 3.15Å; K394-F538 HydrophobicContact CG-CD2 4.38Å
395T80.5Confident78.7Confident42 Ų4238.4 Ų38.426%0.25823%0.228SC..Hα-helixtrans-65.3-32.4176.6-54.30000112.3G393 L398 R399 D494G393-T395 PolarHBondContact O-N 2.78Å; T395-L398 PolarHBondContact O-N 3.49Å; T395-R399 WeakPolarHBondContact O-CB 3.46Å; T395-R399 VanDerWaalsContact O-CG 3.28Å; T395-R399 WeakPolarHBondContact O-CG 3.37Å; T395-R399 PolarHBondContact O-N 2.99Å; T395-D494 WeakPolarHBondContact CB-OD2 3.39Å; T395-D494 WeakPolarHBondContact CG2-OD2 3.49Å; T395-D494 PolarHBondContact OG1-OD1 3.45Å; T395-D494 PolarHBondContact OG1-OD2 3.44Å
396S78.4Confident77.5Confident22 Ų2245.9 Ų45.915%0.15426%0.26CS..Hα-helixtrans-67.3-38.8176.1-61.60000111.5G393 K394 R399 M400 W405G393-S396 CarbonylContact O-C 3.49Å; G393-S396 WeakPolarHBondContact O-CA 3.23Å; G393-S396 VanDerWaalsContact O-CB 3.3Å; G393-S396 WeakPolarHBondContact O-CB 3.45Å; G393-S396 PolarHBondContact O-N 3.29Å; K394-S396 VanDerWaalsContact C-N 3.29Å; K394-S396 PolarHBondContact O-N 2.93Å; S396-R399 PolarHBondContact O-N 2.87Å; S396-M400 PolarHBondContact O-N 3.47Å; S396-M400 VanDerWaalsContact O-N 3.1Å; S396-W405 VanDerWaalsContact CB-CZ3 3.49Å
397F79.9Confident76.2Confident2 Ų247.2 Ų47.21%0.00927%0.271CS..Hα-helixtrans-63.8-45.4173.4178.1-107.2000111.5L353 L358 L374 I376 I386 G393 K394 R399 M400 L401 L536 F538L353-F397 HydrophobicContact CD1-CE2 3.6Å; L353-F397 HydrophobicContact CD1-CZ 3.7Å; L358-F397 HydrophobicContact CD1-CB 4.18Å; L358-F397 HydrophobicContact CD1-CD2 3.86Å; L374-F397 HydrophobicContact CD1-CD2 3.98Å; L374-F397 HydrophobicContact CD1-CE2 3.72Å; L374-F397 HydrophobicContact CD1-CZ 4.46Å; I376-F397 HydrophobicContact CG2-CZ 4.43Å; I386-F397 HydrophobicContact CD1-CD1 3.83Å; I386-F397 HydrophobicContact CD1-CE1 3.93Å; G393-F397 PolarHBondContact O-N 3.01Å; K394-F397 WeakPolarHBondContact O-CB 3.25Å; K394-F397 PolarHBondContact O-N 3.29Å; F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 PolarHBondContact O-N 2.84Å; F397-M400 HydrophobicContact CD2-CE 3.43Å; F397-M400 VanDerWaalsContact CD2-CE 3.43Å; F397-M400 HydrophobicContact CE2-CE 3.44Å; F397-M400 VanDerWaalsContact CE2-CE 3.44Å; F397-M400 HydrophobicContact CG-CE 4.42Å; F397-M400 HydrophobicContact CZ-CE 4.46Å; F397-M400 PolarHBondContact O-N 2.94Å; F397-L401 HydrophobicContact CD1-CD1 3.92Å; F397-L401 HydrophobicContact CE1-CD1 3.45Å; F397-L401 VanDerWaalsContact CE1-CD1 3.45Å; F397-L401 HydrophobicContact CE1-CG 4.18Å; F397-L401 HydrophobicContact CZ-CD1 3.84Å; F397-L401 HydrophobicContact CZ-CD2 4.37Å; F397-L401 HydrophobicContact CZ-CG 4.19Å; F397-L401 PolarHBondContact O-N 3.29Å; F397-L536 HydrophobicContact CE1-CD2 3.95Å; F397-L536 HydrophobicContact CZ-CD2 4.2Å; F397-F538 HydrophobicContact CB-CZ 4.1Å; F397-F538 HydrophobicContact CD1-CE2 4.34Å; F397-F538 HydrophobicContact CD1-CZ 4.07Å; F397-F538 HydrophobicContact CD2-CZ 4.22Å; F397-F538 AromaticContact CG-CZ 3.88Å; F397-F538 HydrophobicContact CG-CZ 3.88Å
398L80.9Confident74.7Confident0 Ų053.9 Ų53.90%030%0.302CS..Hα-helixtrans-60.3-41173.1-74.1-174.1000112.9I386 K394 T395 M400 L401 C402 Y420 F492 D494 V520 V522I386-L398 HydrophobicContact CD1-CD2 3.73Å; I386-L398 HydrophobicContact CD1-CG 4.32Å; K394-L398 PolarHBondContact O-N 2.97Å; T395-L398 PolarHBondContact O-N 3.49Å; L398-M400 VanDerWaalsContact C-N 3.26Å; L398-M400 PolarHBondContact O-N 3.41Å; L398-L401 HydrophobicContact CD2-CD1 4.33Å; L398-L401 PolarHBondContact O-N 2.85Å; L398-L401 VanDerWaalsContact O-N 3.17Å; L398-C402 PolarHBondContact O-N 2.84Å; L398-C402 PolarHBondContact O-SG 3.25Å; L398-Y420 HydrophobicContact CB-CE2 3.95Å; L398-Y420 HydrophobicContact CD1-CE2 4.14Å; L398-F492 HydrophobicContact CD2-CB 4.41Å; L398-F492 HydrophobicContact CD2-CD1 3.64Å; L398-F492 HydrophobicContact CD2-CE1 4.36Å; L398-F492 HydrophobicContact CD2-CG 4.39Å; L398-D494 HydrophobicContact CD1-CB 3.56Å; L398-V520 HydrophobicContact CD2-CG1 3.99Å; L398-V522 HydrophobicContact CD1-CB 4.32Å; L398-V522 HydrophobicContact CD1-CG2 3.41Å; L398-V522 VanDerWaalsContact CD1-CG2 3.41Å; L398-V522 HydrophobicContact CD2-CG2 4.47Å; L398-V522 HydrophobicContact CG-CG2 3.88Å
399R76.2Confident73.4Confident105 Ų10559.4 Ų59.440%0.39633%0.327SS..Hα-helixtrans-59.7-38.6176.7-77.5171-177.4166.11.8112T395 S396 F397 G403 F404 W405T395-R399 WeakPolarHBondContact O-CB 3.46Å; T395-R399 VanDerWaalsContact O-CG 3.28Å; T395-R399 WeakPolarHBondContact O-CG 3.37Å; T395-R399 PolarHBondContact O-N 2.99Å; S396-R399 PolarHBondContact O-N 2.87Å; F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 PolarHBondContact O-N 2.84Å; R399-G403 PolarHBondContact O-N 2.88Å; R399-F404 HydrophobicContact CB-CB 4.19Å; R399-F404 HydrophobicContact CB-CD2 4.39Å; R399-F404 HydrophobicContact CG-CD2 4.35Å; R399-F404 WeakPolarHBondContact O-CA 3.49Å; R399-F404 VanDerWaalsContact O-CB 3.31Å; R399-F404 WeakPolarHBondContact O-CB 3.03Å; R399-F404 PolarHBondContact O-N 3.44Å; R399-W405 HydrophobicContact CB-CD2 4.44Å; R399-W405 HydrophobicContact CB-CG 4.48Å; R399-W405 PolarHBondContact O-N 3.38Å
400M75.9Confident72.2Confident1 Ų156.3 Ų56.31%0.00532%0.322CS..Hα-helixtrans-68-43.5174171.7-81.9-69.500112.2L353 V356 L358 S396 F397 L398 C402 G403 W405 N412L353-M400 HydrophobicContact CD1-CE 3.94Å; L353-M400 HydrophobicContact CD2-CE 4.4Å; L353-M400 HydrophobicContact CD2-SD 4.13Å; V356-M400 HydrophobicContact CG1-CE 3.96Å; V356-M400 HydrophobicContact CG1-SD 4.24Å; L358-M400 HydrophobicContact CD1-CE 3.97Å; L358-M400 HydrophobicContact CD2-CB 3.63Å; L358-M400 HydrophobicContact CD2-CG 3.88Å; S396-M400 PolarHBondContact O-N 3.47Å; S396-M400 VanDerWaalsContact O-N 3.1Å; F397-M400 HydrophobicContact CD2-CE 3.43Å; F397-M400 VanDerWaalsContact CD2-CE 3.43Å; F397-M400 HydrophobicContact CE2-CE 3.44Å; F397-M400 VanDerWaalsContact CE2-CE 3.44Å; F397-M400 HydrophobicContact CG-CE 4.42Å; F397-M400 HydrophobicContact CZ-CE 4.46Å; F397-M400 PolarHBondContact O-N 2.94Å; L398-M400 VanDerWaalsContact C-N 3.26Å; L398-M400 PolarHBondContact O-N 3.41Å; M400-C402 PolarHBondContact O-N 3.31Å; M400-G403 PolarHBondContact O-N 3.22Å; M400-W405 HydrophobicContact CB-CB 4.42Å; M400-N412 PolarHBondContact SD-ND2 2.87Å
401L76Confident70.9Confident0 Ų054.6 Ų54.60%031%0.31CS..Hα-helixtrans-60.2-29.8176.5-74.5178.7000113.1I351 L353 I378 F397 L398 G403 I414 F492I351-L401 HydrophobicContact CD1-CD2 4.17Å; I351-L401 HydrophobicContact CG2-CD2 3.89Å; L353-L401 HydrophobicContact CD1-CD2 3.72Å; L353-L401 HydrophobicContact CD2-CD2 4.09Å; L353-L401 HydrophobicContact CG-CD2 4.2Å; I378-L401 HydrophobicContact CD1-CD1 4.24Å; I378-L401 HydrophobicContact CD1-CD2 4.42Å; F397-L401 HydrophobicContact CD1-CD1 3.92Å; F397-L401 HydrophobicContact CE1-CD1 3.45Å; F397-L401 VanDerWaalsContact CE1-CD1 3.45Å; F397-L401 HydrophobicContact CE1-CG 4.18Å; F397-L401 HydrophobicContact CZ-CD1 3.84Å; F397-L401 HydrophobicContact CZ-CD2 4.37Å; F397-L401 HydrophobicContact CZ-CG 4.19Å; F397-L401 PolarHBondContact O-N 3.29Å; L398-L401 HydrophobicContact CD2-CD1 4.33Å; L398-L401 PolarHBondContact O-N 2.85Å; L398-L401 VanDerWaalsContact O-N 3.17Å; L401-G403 VanDerWaalsContact C-N 3.32Å; L401-I414 WeakPolarHBondContact O-CD1 3.39Å; L401-F492 HydrophobicContact CB-CE1 3.93Å; L401-F492 HydrophobicContact CB-CZ 3.91Å; L401-F492 HydrophobicContact CD1-CE1 3.79Å; L401-F492 HydrophobicContact CD1-CZ 4.48Å; L401-F492 HydrophobicContact CG-CE1 4.48Å
402C70.9Confident70Confident32 Ų3251.1 Ų51.122%0.21628%0.283CS..THydrogen-bonded Turntrans-88.15175.6-66.10000114L398 M400 F404 Y420 F492L398-C402 PolarHBondContact O-N 2.84Å; L398-C402 PolarHBondContact O-SG 3.25Å; M400-C402 PolarHBondContact O-N 3.31Å; C402-F404 VanDerWaalsContact C-N 3.27Å; C402-F404 HydrophobicContact CB-CD2 3.61Å; C402-F404 HydrophobicContact CB-CE2 3.62Å; C402-F404 PolarHBondContact O-N 3.13Å; C402-Y420 HydrophobicContact CB-CD2 4.47Å; C402-Y420 WeakPolarHBondContact SG-CD2 3.28Å; C402-F492 WeakPolarHBondContact SG-CD2 3.35Å
403G68.6Low69Low48 Ų4857.2 Ų57.250%0.49532%0.315SS..THydrogen-bonded Turntrans757.6-179.400000115.1R399 M400 L401 W405R399-G403 PolarHBondContact O-N 2.88Å; M400-G403 PolarHBondContact O-N 3.22Å; L401-G403 VanDerWaalsContact C-N 3.32Å; G403-W405 VanDerWaalsContact C-N 3.32Å
404F65.4Low68.3Low116 Ų11658.4 Ų58.451%0.50932%0.316SS..SBendtrans-66.9-36.4175.5-65.7-66000111.5R399 C402 Y420R399-F404 HydrophobicContact CB-CB 4.19Å; R399-F404 HydrophobicContact CB-CD2 4.39Å; R399-F404 HydrophobicContact CG-CD2 4.35Å; R399-F404 WeakPolarHBondContact O-CA 3.49Å; R399-F404 VanDerWaalsContact O-CB 3.31Å; R399-F404 WeakPolarHBondContact O-CB 3.03Å; R399-F404 PolarHBondContact O-N 3.44Å; C402-F404 VanDerWaalsContact C-N 3.27Å; C402-F404 HydrophobicContact CB-CD2 3.61Å; C402-F404 HydrophobicContact CB-CE2 3.62Å; C402-F404 PolarHBondContact O-N 3.13Å; F404-Y420 HydrophobicContact CE2-CD1 4.15Å; F404-Y420 HydrophobicContact CE2-CG 4.28Å
405W67.9Low66.9Low55 Ų5562.7 Ų62.721%0.20834%0.339CS..SBendtrans-116130.4175.6-66.5-0.9000109.7L358 L360 P361 S396 R399 M400 G403L358-W405 HydrophobicContact CD2-CE3 4.39Å; L360-W405 HydrophobicContact CG-CH2 4.29Å; P361-W405 HydrophobicContact CG-CD2 4.23Å; P361-W405 HydrophobicContact CG-CH2 4.47Å; P361-W405 HydrophobicContact CG-CZ2 4Å; S396-W405 VanDerWaalsContact CB-CZ3 3.49Å; R399-W405 HydrophobicContact CB-CD2 4.44Å; R399-W405 HydrophobicContact CB-CG 4.48Å; R399-W405 PolarHBondContact O-N 3.38Å; M400-W405 HydrophobicContact CB-CB 4.42Å; G403-W405 VanDerWaalsContact C-N 3.32Å
406K65.6Low65.6Low159 Ų15967.8 Ų67.869%0.69137%0.365SS*.  trans-73.6134.4172.9-69.4177.3178.1167.90109.3D330D330-K406 IonicContact OD1-NZ 3.14Å; D330-K406 IonicContact OD2-NZ 2.77Å; D330-K406 PolarHBondContact OD2-NZ 3.11Å
407A62.8Low64.3Low28 Ų2869.1 Ų69.123%0.23138%0.377CS..  trans-62134.8165.100000109.3V356V356-A407 HydrophobicContact CG1-CB 3.73Å
408Q60.1Low63.3Low147 Ų14771.1 Ų71.169%0.68739%0.391SS*.SBendtrans-83.3-29.5175.6-70.8-162.8-3.400112
409E57.5Low62.2Low119 Ų11972.6 Ų72.656%0.55640%0.398SS*.EExtended strand (participates in β ladder)trans-136.4144.7175.3-64.5-177.9168.100108.7
410G57.8Low61.6Low50 Ų5069.3 Ų69.352%0.51539%0.386SS..EExtended strand (participates in β ladder)trans97.7168.7-174.900000114E354E354-G410 WeakPolarHBondContact O-CA 3.42Å
411S53.5Low60.7Low67 Ų6769.3 Ų69.347%0.46939%0.386SS..EExtended strand (participates in β ladder)trans-107130.1171.165.50000110.3
412N55.5Low59.9Low41 Ų4170.4 Ų70.422%0.21939%0.394CS..EExtended strand (participates in β ladder)trans-113.6108168.1-62.8-1.4000107.2L353 V356 M400 I414L353-N412 HydrophobicContact CD2-CB 4.22Å; L353-N412 VanDerWaalsContact CD2-OD1 3.22Å; L353-N412 WeakPolarHBondContact CD2-OD1 2.93Å; V356-N412 WeakPolarHBondContact CG2-OD1 3.22Å; M400-N412 PolarHBondContact SD-ND2 2.87Å; N412-I414 HydrophobicContact CB-CD1 4.42Å; N412-I414 HydrophobicContact CB-CG1 4.43Å
413D57.9Low59.1Low135 Ų13571.6 Ų71.672%0.72240%0.398SS*.EExtended strand (participates in β ladder)trans-96.5113.3167.7-141.30.9000106.8
414I59.3Low58.3Low47 Ų4777.4 Ų77.424%0.24141%0.412CS..EExtended strand (participates in β ladder)trans-116.4118.6-176.5-59.8164000107.1L401 N412L401-I414 WeakPolarHBondContact O-CD1 3.39Å; N412-I414 HydrophobicContact CB-CD1 4.42Å; N412-I414 HydrophobicContact CB-CG1 4.43Å
415D55.2Low57.6Low100 Ų10075.7 Ų75.754%0.53541%0.408SS..  trans-70.4131.5168.9-100-26.6000110.5A417 C418D415-A417 PolarHBondContact O-N 2.92Å; D415-C418 PolarHBondContact O-SG 3.28Å
416D52.6Low56.7Low150 Ų15074.8 Ų74.880%0.80241%0.407SS*.SBendtrans-63.37.2-170.9-81.2-31.7000116.2
417A50.3Low55.7Low50 Ų5070.3 Ų70.341%0.41340%0.4SS..  trans-103.143.5-173.200000114.2D415 L489D415-A417 PolarHBondContact O-N 2.92Å; A417-L489 HydrophobicContact CB-CD1 4.13Å
418C59.1Low54.6Low43 Ų4372.8 Ų72.829%0.29141%0.414SS..EExtended strand (participates in β ladder)trans-107.5138.3-176.6-630000113.1D415 F492D415-C418 PolarHBondContact O-SG 3.28Å; C418-F492 HydrophobicContact CB-CD2 4.41Å; C418-F492 HydrophobicContact CB-CE2 3.9Å
419I58.8Low54Low31 Ų3170 Ų7016%0.15940%0.4CS..EExtended strand (participates in β ladder)trans-111.4124.1165.9-64.5-178.1000109.1L421 H486 P488 L490 T491 F492I419-L421 HydrophobicContact CG2-CD2 4.11Å; I419-L421 HydrophobicContact CG2-CG 4.2Å; I419-H486 HydrophobicContact CD1-CB 3.53Å; I419-P488 HydrophobicContact CB-CB 4.18Å; I419-P488 HydrophobicContact CB-CG 4.08Å; I419-P488 HydrophobicContact CD1-CB 3.72Å; I419-P488 HydrophobicContact CD1-CG 3.74Å; I419-P488 HydrophobicContact CG1-CB 3.74Å; I419-P488 HydrophobicContact CG1-CG 4.01Å; I419-L490 PolarHBondContact N-O 3.42Å; I419-L490 VanDerWaalsContact N-O 3.15Å; I419-T491 WeakPolarHBondContact O-CA 3.39Å; I419-F492 PolarHBondContact O-N 3.16Å
420Y62.2Low53.4Low36 Ų3673 Ų7314%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-95.8126.3172-176-102.2000110.7L398 C402 F404 L425 F492 D494L398-Y420 HydrophobicContact CB-CE2 3.95Å; L398-Y420 HydrophobicContact CD1-CE2 4.14Å; C402-Y420 HydrophobicContact CB-CD2 4.47Å; C402-Y420 WeakPolarHBondContact SG-CD2 3.28Å; F404-Y420 HydrophobicContact CE2-CD1 4.15Å; F404-Y420 HydrophobicContact CE2-CG 4.28Å; Y420-L425 HydrophobicContact CD1-CD1 3.86Å; Y420-L425 HydrophobicContact CE1-CD1 4.18Å; Y420-F492 HydrophobicContact CD2-CB 3.65Å; Y420-F492 HydrophobicContact CD2-CG 4.36Å; Y420-F492 HydrophobicContact CE2-CB 4.28Å; Y420-D494 HydrophobicContact CE2-CB 4.4Å; Y420-D494 PolarHBondContact OH-OD2 3.02Å
421L58Low52.9Low2 Ų274 Ų741%0.0141%0.408CS..EExtended strand (participates in β ladder)trans-119.4126.8172.1-61.2176.6000108.9I419 S479 A483 T491 F492 L493 D494I419-L421 HydrophobicContact CG2-CD2 4.11Å; I419-L421 HydrophobicContact CG2-CG 4.2Å; L421-S479 WeakPolarHBondContact CD1-O 3.34Å; L421-S479 VanDerWaalsContact CD2-O 3.24Å; L421-S479 WeakPolarHBondContact CD2-O 3.4Å; L421-A483 HydrophobicContact CD1-CB 3.57Å; L421-T491 HydrophobicContact CD1-CG2 3.96Å; L421-T491 HydrophobicContact CG-CG2 4.38Å; L421-F492 WeakPolarHBondContact CB-O 3.3Å; L421-F492 PolarHBondContact N-O 3.36Å; L421-L493 HydrophobicContact CB-CD2 4.11Å; L421-L493 HydrophobicContact CD1-CD2 3.57Å; L421-L493 HydrophobicContact CG-CD2 4.36Å; L421-D494 PolarHBondContact O-N 2.91Å
422S58.6Low52.7Low22 Ų2274.8 Ų74.815%0.15442%0.418CS..EExtended strand (participates in β ladder)trans-128.1167168.176.90000111.2E424 L425S422-E424 PolarHBondContact O-N 2.99Å; S422-E424 VanDerWaalsContact O-N 3.07Å; S422-L425 PolarHBondContact O-N 3.3Å
423D54.4Low52.8Low58 Ų5876.1 Ų76.131%0.3142%0.424SS..THydrogen-bonded Turntrans-53.9-26.4-177.2-80.9-13.3000115.6Q476 E495 A496 S498D423-Q476 PolarHBondContact OD1-NE2 3.09Å; D423-E495 VanDerWaalsContact OD2-CB 3.31Å; D423-E495 WeakPolarHBondContact OD2-CB 3.4Å; D423-A496 WeakPolarHBondContact OD1-CA 3.38Å; D423-A496 PolarHBondContact OD1-N 3Å; D423-S498 PolarHBondContact OD2-OG 3.33Å
424E51.6Low53Low170 Ų17076 Ų7679%0.79443%0.428SS*.THydrogen-bonded Turntrans-1053.2-174.3-63.6-179.7165.100115.2S422 I426S422-E424 PolarHBondContact O-N 2.99Å; S422-E424 VanDerWaalsContact O-N 3.07Å; E424-I426 VanDerWaalsContact C-N 3.28Å; E424-I426 PolarHBondContact O-N 2.99Å
425L50.6Low53.8Low79 Ų7977.2 Ų77.241%0.41444%0.435SS..  trans-81.368.2-174.6-93.4152.4000112.6Y420 S422Y420-L425 HydrophobicContact CD1-CD1 3.86Å; Y420-L425 HydrophobicContact CE1-CD1 4.18Å; S422-L425 PolarHBondContact O-N 3.3Å
426I49Very low55.1Low36 Ų3676.1 Ų76.119%0.18543%0.429CS..  trans-91-20.5-175.7-67174.5000113.6E424 W466 N467 L470 A475E424-I426 VanDerWaalsContact C-N 3.28Å; E424-I426 PolarHBondContact O-N 2.99Å; I426-W466 HydrophobicContact CG2-CB 3.53Å; I426-N467 VanDerWaalsContact CB-OD1 3.27Å; I426-N467 WeakPolarHBondContact CB-OD1 3.32Å; I426-N467 WeakPolarHBondContact CD1-OD1 3.34Å; I426-N467 WeakPolarHBondContact CG2-OD1 3.25Å; I426-L470 HydrophobicContact CG2-CD1 4.13Å; I426-A475 HydrophobicContact CD1-CB 3.46Å; I426-A475 VanDerWaalsContact CD1-CB 3.46Å; I426-A475 HydrophobicContact CG1-CB 3.68Å
427A44.5Very low56.5Low66 Ų6676.6 Ų76.655%0.54543%0.426SS..SBendtrans-115.916.6-151.500000119.2
428C40.8Very low58.2Low79 Ų7976.3 Ų76.353%0.53442%0.418SS..  trans-142.376.6174.7-82.20000113.6F430C428-F430 HydrophobicContact CB-CD2 4.43Å; C428-F430 PolarHBondContact O-N 2.96Å
429F47.9Very low59.4Low88 Ų8874.6 Ų74.639%0.38641%0.406SS..  trans-76.270.5154.1-109.8-92.6000108.5L478F429-L478 HydrophobicContact CE2-CD1 4.2Å; F429-L478 HydrophobicContact CE2-CG 4.1Å
430F44.5Very low60.7Low184 Ų18476.2 Ų76.281%0.80741%0.414SS*.  trans-118.661.2170.5-80.8-78.2000109.1C428C428-F430 HydrophobicContact CB-CD2 4.43Å; C428-F430 PolarHBondContact O-N 2.96Å
431V46.6Very low61.8Low71 Ų7177.4 Ų77.443%0.4343%0.428SS..SBendtrans-133.4130.6164.4-171.10000106.6I433V431-I433 PolarHBondContact O-N 3.48Å
432A48.8Very low63.2Low82 Ų8278.3 Ų78.368%0.67843%0.433SS*.  trans-48.3106.5-17700000110.1V434A432-V434 WeakPolarHBondContact O-CG2 3.44Å; A432-V434 PolarHBondContact O-N 2.72Å; A432-V434 VanDerWaalsContact O-N 3.12Å
433I57.7Low64.5Low70 Ų7077.8 Ų77.836%0.35943%0.428SS..  trans-64.5113.5168.7-63.4161.7000104.8V431 L439 Y485V431-I433 PolarHBondContact O-N 3.48Å; I433-L439 HydrophobicContact CD1-CD2 3.66Å; I433-L439 HydrophobicContact CG1-CD2 4.22Å; I433-L439 HydrophobicContact CG2-CB 4.45Å; I433-L439 HydrophobicContact CG2-CD2 4.05Å; I433-Y485 WeakPolarHBondContact CA-OH 3.45Å
434V62.3Low66.1Low132 Ų13281.6 Ų81.680%0.844%0.442SS*.  trans-84.4-25.4-177.8-177.30000110.7A432 Y485A432-V434 WeakPolarHBondContact O-CG2 3.44Å; A432-V434 PolarHBondContact O-N 2.72Å; A432-V434 VanDerWaalsContact O-N 3.12Å; V434-Y485 PolarHBondContact N-OH 2.54Å
435D76.9Confident67.7Low73 Ų7375.8 Ų75.839%0.3942%0.42SS..  trans-150108.3-173-178.78000111.9Q437 N438 L439D435-Q437 VanDerWaalsContact C-N 3.31Å; D435-Q437 PolarHBondContact O-N 3.01Å; D435-Q437 WeakPolarHBondContact OD1-CB 3.42Å; D435-Q437 PolarHBondContact OD1-N 3.3Å; D435-N438 HydrophobicContact CB-CB 4.14Å; D435-N438 WeakPolarHBondContact OD2-CB 3.27Å; D435-L439 PolarHBondContact O-N 3.06Å
436D81.4Confident69.3Low76 Ų7672.3 Ų72.341%0.40640%0.402SS..Hα-helixtrans-65.3-32.3177.9-62.9-22000112.5L439 I440 L458D436-L439 PolarHBondContact O-N 3.48Å; D436-I440 VanDerWaalsContact O-CG1 3.27Å; D436-I440 WeakPolarHBondContact O-CG1 3.19Å; D436-I440 PolarHBondContact O-N 3.3Å; D436-L458 HydrophobicContact CB-CD1 4.13Å
437Q83.4Confident71Confident160 Ų16074.1 Ų74.175%0.74841%0.412SS*.Hα-helixtrans-68.9-43.2-178.2-64.6-170.8-2.300110.8D435 L439 I440 S441D435-Q437 VanDerWaalsContact C-N 3.31Å; D435-Q437 PolarHBondContact O-N 3.01Å; D435-Q437 WeakPolarHBondContact OD1-CB 3.42Å; D435-Q437 PolarHBondContact OD1-N 3.3Å; Q437-L439 VanDerWaalsContact C-N 3.34Å; Q437-I440 PolarHBondContact O-N 3.48Å; Q437-S441 WeakPolarHBondContact O-CB 3.29Å; Q437-S441 PolarHBondContact O-N 3.47Å
438N84.5Confident73.1Confident44 Ų4471 Ų7124%0.23539%0.386CS..Hα-helixtrans-60.7-45.1174-173.722000110.8D435 I440 S441 L442D435-N438 HydrophobicContact CB-CB 4.14Å; D435-N438 WeakPolarHBondContact OD2-CB 3.27Å; N438-I440 PolarHBondContact O-N 2.95Å; N438-S441 PolarHBondContact O-N 3.33Å; N438-S441 PolarHBondContact O-OG 3.24Å; N438-L442 WeakPolarHBondContact O-CG 3.28Å; N438-L442 PolarHBondContact O-N 2.96Å
439L84.9Confident75.3Confident7 Ų769.5 Ų69.54%0.03738%0.375CS..Hα-helixtrans-60.4-46.4177.7-178.661000112.3I433 D435 D436 Q437 S441 L442 L443 L458 L481 Y485I433-L439 HydrophobicContact CD1-CD2 3.66Å; I433-L439 HydrophobicContact CG1-CD2 4.22Å; I433-L439 HydrophobicContact CG2-CB 4.45Å; I433-L439 HydrophobicContact CG2-CD2 4.05Å; D435-L439 PolarHBondContact O-N 3.06Å; D436-L439 PolarHBondContact O-N 3.48Å; Q437-L439 VanDerWaalsContact C-N 3.34Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.42Å; L439-L442 PolarHBondContact O-N 2.92Å; L439-L443 HydrophobicContact CD1-CD1 4.36Å; L439-L443 HydrophobicContact CD1-CG 4.42Å; L439-L443 HydrophobicContact CG-CD1 3.99Å; L439-L443 WeakPolarHBondContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CG 3.36Å; L439-L443 PolarHBondContact O-N 3.49Å; L439-L458 HydrophobicContact CD2-CD1 4.38Å; L439-L458 HydrophobicContact CD2-CD2 4.16Å; L439-L481 HydrophobicContact CD1-CD2 4.14Å; L439-Y485 HydrophobicContact CB-CE2 4.29Å; L439-Y485 HydrophobicContact CD1-CD2 4.36Å
440I85.7Confident77.2Confident65 Ų6568.8 Ų68.833%0.33337%0.372SS..Hα-helixtrans-62.6-38.1177.5-68.5166.4000111.2D436 Q437 N438 L443 K444 L458D436-I440 VanDerWaalsContact O-CG1 3.27Å; D436-I440 WeakPolarHBondContact O-CG1 3.19Å; D436-I440 PolarHBondContact O-N 3.3Å; Q437-I440 PolarHBondContact O-N 3.48Å; N438-I440 PolarHBondContact O-N 2.95Å; I440-L443 PolarHBondContact O-N 3.49Å; I440-K444 WeakPolarHBondContact O-CG 3.23Å; I440-K444 PolarHBondContact O-N 2.68Å; I440-L458 HydrophobicContact CD1-CD1 4.27Å; I440-L458 HydrophobicContact CG1-CD1 4.19Å
441S86.8Confident79.2Confident61 Ų6160.5 Ų60.543%0.42734%0.336SS..Hα-helixtrans-65.4-39.9176.681.10000112.2Q437 N438 L439 K444 S445Q437-S441 WeakPolarHBondContact O-CB 3.29Å; Q437-S441 PolarHBondContact O-N 3.47Å; N438-S441 PolarHBondContact O-N 3.33Å; N438-S441 PolarHBondContact O-OG 3.24Å; L439-S441 VanDerWaalsContact C-N 3.29Å; L439-S441 PolarHBondContact O-N 3.42Å; S441-K444 WeakPolarHBondContact O-CB 3.33Å; S441-K444 PolarHBondContact O-N 2.88Å; S441-S445 PolarHBondContact O-N 2.81Å; S441-S445 VanDerWaalsContact O-N 3.11Å
442L85.5Confident81.1Confident22 Ų2258.9 Ų58.912%0.11533%0.326CS..Hα-helixtrans-71.3-40177.1-70.1168.9000111N438 L439 K444 S445 V446 L481 L484 Y485N438-L442 WeakPolarHBondContact O-CG 3.28Å; N438-L442 PolarHBondContact O-N 2.96Å; L439-L442 PolarHBondContact O-N 2.92Å; L442-K444 VanDerWaalsContact C-N 3.26Å; L442-K444 PolarHBondContact O-N 3.41Å; L442-S445 WeakPolarHBondContact O-CA 3.33Å; L442-S445 WeakPolarHBondContact O-CB 3.18Å; L442-S445 PolarHBondContact O-N 3.25Å; L442-S445 PolarHBondContact O-OG 3.43Å; L442-V446 WeakPolarHBondContact O-CG2 3.37Å; L442-V446 PolarHBondContact O-N 3.38Å; L442-V446 VanDerWaalsContact O-N 3.11Å; L442-L481 VanDerWaalsContact C-CD1 3.45Å; L442-L481 HydrophobicContact CB-CD1 3.4Å; L442-L484 HydrophobicContact CD2-CB 4.23Å; L442-Y485 HydrophobicContact CD1-CD2 3.82Å; L442-Y485 HydrophobicContact CD1-CG 4.44Å
443L87.6Confident82.8Confident10 Ų1062.7 Ų62.75%0.05233%0.33CS..Hα-helixtrans-58-37.9172.3-78165.3000112.3L439 I440 N447 L448 V452 L458 L481L439-L443 HydrophobicContact CD1-CD1 4.36Å; L439-L443 HydrophobicContact CD1-CG 4.42Å; L439-L443 HydrophobicContact CG-CD1 3.99Å; L439-L443 WeakPolarHBondContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CG 3.36Å; L439-L443 PolarHBondContact O-N 3.49Å; I440-L443 PolarHBondContact O-N 3.49Å; L443-N447 PolarHBondContact O-N 2.85Å; L443-L448 HydrophobicContact CD2-CB 3.83Å; L443-L448 PolarHBondContact O-N 3.27Å; L443-V452 HydrophobicContact CD1-CG2 3.64Å; L443-L458 HydrophobicContact CD1-CD2 4.45Å; L443-L481 HydrophobicContact CD2-CD2 3.44Å; L443-L481 VanDerWaalsContact CD2-CD2 3.44Å; L443-L481 HydrophobicContact CG-CD2 3.87Å
444K88Confident84.2Confident139 Ų13965.2 Ų65.260%0.60434%0.335SS*.Hα-helixtrans-62.3-44.4171-75.9169.7-178.6-177.90111.5I440 S441 L442 V446 N447 T449I440-K444 WeakPolarHBondContact O-CG 3.23Å; I440-K444 PolarHBondContact O-N 2.68Å; S441-K444 WeakPolarHBondContact O-CB 3.33Å; S441-K444 PolarHBondContact O-N 2.88Å; L442-K444 VanDerWaalsContact C-N 3.26Å; L442-K444 PolarHBondContact O-N 3.41Å; K444-V446 VanDerWaalsContact C-N 3.3Å; K444-V446 PolarHBondContact O-N 2.98Å; K444-N447 PolarHBondContact O-N 2.9Å; K444-N447 VanDerWaalsContact O-N 3.14Å; K444-T449 HydrophobicContact CB-CG2 4.17Å; K444-T449 HydrophobicContact CG-CG2 3.34Å
445S84.3Confident85.2Confident47 Ų4759.9 Ų59.933%0.32930%0.304SS..Hα-helixtrans-63.2-33.6-178.377.40000113.6S441 L442S441-S445 PolarHBondContact O-N 2.81Å; S441-S445 VanDerWaalsContact O-N 3.11Å; L442-S445 WeakPolarHBondContact O-CA 3.33Å; L442-S445 WeakPolarHBondContact O-CB 3.18Å; L442-S445 PolarHBondContact O-N 3.25Å; L442-S445 PolarHBondContact O-OG 3.43Å
446V83.9Confident85.5Confident6 Ų659.5 Ų59.54%0.03632%0.317CS..THydrogen-bonded Turntrans-946.4177.3-600000113.4L442 K444 L448 R477 L481 L484L442-V446 WeakPolarHBondContact O-CG2 3.37Å; L442-V446 PolarHBondContact O-N 3.38Å; L442-V446 VanDerWaalsContact O-N 3.11Å; K444-V446 VanDerWaalsContact C-N 3.3Å; K444-V446 PolarHBondContact O-N 2.98Å; V446-L448 HydrophobicContact CG2-CB 4Å; V446-L448 HydrophobicContact CG2-CD1 3.83Å; V446-L448 HydrophobicContact CG2-CG 3.79Å; V446-L448 PolarHBondContact O-N 3.19Å; V446-R477 WeakPolarHBondContact O-CD 3.48Å; V446-L481 HydrophobicContact CG1-CD1 4.32Å; V446-L481 HydrophobicContact CG2-CB 4.47Å; V446-L481 HydrophobicContact CG2-CD1 3.88Å; V446-L484 HydrophobicContact CG1-CD1 4.07Å
447N86Confident85.6Confident74 Ų7457.2 Ų57.240%0.39631%0.312SS..THydrogen-bonded Turntrans54.349.6-178.9-164.329.3000113.3L443 K444 Y504L443-N447 PolarHBondContact O-N 2.85Å; K444-N447 PolarHBondContact O-N 2.9Å; K444-N447 VanDerWaalsContact O-N 3.14Å; N447-Y504 HydrophobicContact CB-CE1 4.15Å; N447-Y504 PolarHBondContact ND2-OH 3.39Å; N447-Y504 VanDerWaalsContact ND2-OH 3.12Å
448L87Confident85.5Confident0 Ų052.9 Ų52.90%029%0.293CS..  trans-119.617.3176.9-69.5-175.9000113L443 V446 H450 L451 E474 R477 L478L443-L448 HydrophobicContact CD2-CB 3.83Å; L443-L448 PolarHBondContact O-N 3.27Å; V446-L448 HydrophobicContact CG2-CB 4Å; V446-L448 HydrophobicContact CG2-CD1 3.83Å; V446-L448 HydrophobicContact CG2-CG 3.79Å; V446-L448 PolarHBondContact O-N 3.19Å; L448-H450 PolarHBondContact O-N 3.31Å; L448-L451 HydrophobicContact CB-CD1 4.21Å; L448-L451 HydrophobicContact CD1-CD1 4.25Å; L448-L451 HydrophobicContact CD2-CD1 3.89Å; L448-L451 HydrophobicContact CD2-CG 4.44Å; L448-L451 HydrophobicContact CG-CD1 4.35Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 3.21Å; L448-L451 VanDerWaalsContact O-N 3.11Å; L448-E474 HydrophobicContact CD2-CB 4.12Å; L448-E474 HydrophobicContact CD2-CG 3.88Å; L448-R477 HydrophobicContact CD1-CB 3.66Å; L448-R477 HydrophobicContact CD2-CB 4.19Å; L448-R477 HydrophobicContact CG-CB 4.02Å; L448-L478 HydrophobicContact CD1-CB 4.1Å; L448-L478 HydrophobicContact CD1-CD1 4.17Å
449T88.1Confident85.2Confident49 Ų4957.8 Ų57.830%0.30132%0.319SS..Hα-helixtrans-61.1-30.4-179.636.40000113.7K444 L451 V452K444-T449 HydrophobicContact CB-CG2 4.17Å; K444-T449 HydrophobicContact CG-CG2 3.34Å; T449-L451 PolarHBondContact O-N 3.45Å; T449-V452 WeakPolarHBondContact O-CB 3.4Å; T449-V452 PolarHBondContact O-N 3.37Å; T449-V452 VanDerWaalsContact O-N 3.14Å
450H88.5Confident85Confident72 Ų7259.4 Ų59.433%0.33333%0.334SS..Hα-helixtrans-64.8-25.1177.166.4-70000112.6L448 V452 E453 R454 E474L448-H450 PolarHBondContact O-N 3.31Å; H450-V452 VanDerWaalsContact C-N 3.3Å; H450-V452 PolarHBondContact O-N 2.89Å; H450-E453 PolarHBondContact O-N 3.1Å; H450-R454 WeakPolarHBondContact O-CB 3.24Å; H450-R454 PolarHBondContact O-N 2.97Å; H450-E474 IonicContact CD2-OE1 3.9Å; H450-E474 IonicContact CE1-OE1 2.9Å; H450-E474 PolarHBondContact CE1-OE1 3.08Å; H450-E474 IonicContact NE2-OE1 2.59Å; H450-E474 PolarHBondContact NE2-OE1 3.33Å
451L86Confident84.6Confident10 Ų1064 Ų645%0.05235%0.354CS..Hα-helixtrans-66.3-34175.1-65.5-177.3000111.5L448 T449 R454 C455 L470L448-L451 HydrophobicContact CB-CD1 4.21Å; L448-L451 HydrophobicContact CD1-CD1 4.25Å; L448-L451 HydrophobicContact CD2-CD1 3.89Å; L448-L451 HydrophobicContact CD2-CG 4.44Å; L448-L451 HydrophobicContact CG-CD1 4.35Å; L448-L451 WeakPolarHBondContact O-CB 3.42Å; L448-L451 PolarHBondContact O-N 3.21Å; L448-L451 VanDerWaalsContact O-N 3.11Å; T449-L451 PolarHBondContact O-N 3.45Å; L451-R454 PolarHBondContact O-N 2.87Å; L451-C455 WeakPolarHBondContact O-CB 3.49Å; L451-C455 PolarHBondContact O-N 3.11Å; L451-C455 PolarHBondContact O-SG 3.47Å; L451-L470 HydrophobicContact CD1-CD2 3.73Å; L451-L470 HydrophobicContact CD2-CD2 3.77Å; L451-L470 HydrophobicContact CG-CD2 4.44Å
452V85.4Confident84.2Confident37 Ų3763.9 Ų63.922%0.22435%0.348CS..Hα-helixtrans-64.7-43.6177.1-175.80000110.7L443 T449 H450 C455 G456 G457 L458L443-V452 HydrophobicContact CD1-CG2 3.64Å; T449-V452 WeakPolarHBondContact O-CB 3.4Å; T449-V452 PolarHBondContact O-N 3.37Å; T449-V452 VanDerWaalsContact O-N 3.14Å; H450-V452 VanDerWaalsContact C-N 3.3Å; H450-V452 PolarHBondContact O-N 2.89Å; V452-C455 PolarHBondContact O-N 3.3Å; V452-G456 PolarHBondContact O-N 2.89Å; V452-G457 PolarHBondContact O-N 2.91Å; V452-L458 HydrophobicContact CG1-CD2 4.36Å; V452-L458 HydrophobicContact CG1-CG 4.49Å; V452-L458 HydrophobicContact CG2-CD2 4.31Å
453E85.4Confident83.8Confident162 Ų16271.5 Ų71.576%0.75738%0.381SS*.Hα-helixtrans-65.8-42.7175.8-66.3178.6-179.100111.2H450 C455 G456H450-E453 PolarHBondContact O-N 3.1Å; E453-C455 VanDerWaalsContact C-N 3.27Å; E453-C455 PolarHBondContact O-N 3.13Å; E453-G456 PolarHBondContact O-N 3.11Å; E453-G456 VanDerWaalsContact O-N 3.13Å
454R85.8Confident83.4Confident123 Ų12376 Ų7646%0.46440%0.397SS..Hα-helixtrans-60.7-36.1177.1-170.8179.5-177.4-174.53.5112.3H450 L451 G456 W464 V469H450-R454 WeakPolarHBondContact O-CB 3.24Å; H450-R454 PolarHBondContact O-N 2.97Å; L451-R454 PolarHBondContact O-N 2.87Å; R454-G456 VanDerWaalsContact C-N 3.34Å; R454-W464 HydrophobicContact CG-CH2 4.38Å; R454-W464 HydrophobicContact CG-CZ2 4.48Å; R454-W464 WeakPolarHBondContact O-CH2 3.36Å; R454-V469 PolarHBondContact NH1-O 2.86Å; R454-V469 VanDerWaalsContact NH2-CG1 3.25Å
455C84.2Confident82.7Confident20 Ų2072.4 Ų72.414%0.13538%0.384CS..Hα-helixtrans-79.1-15.1178.7-640000113.6L451 V452 E453 G457 A460 I462 W466L451-C455 WeakPolarHBondContact O-CB 3.49Å; L451-C455 PolarHBondContact O-N 3.11Å; L451-C455 PolarHBondContact O-SG 3.47Å; V452-C455 PolarHBondContact O-N 3.3Å; E453-C455 VanDerWaalsContact C-N 3.27Å; E453-C455 PolarHBondContact O-N 3.13Å; C455-G457 WeakPolarHBondContact CB-O 3.25Å; C455-A460 WeakPolarHBondContact O-CB 3.43Å; C455-I462 HydrophobicContact CB-CD1 3.82Å; C455-I462 HydrophobicContact CB-CG1 4.38Å; C455-I462 VanDerWaalsContact SG-CD1 3.53Å; C455-W466 VanDerWaalsContact SG-CH2 3.52Å
456G83.4Confident82.3Confident65 Ų6574 Ų7467%0.6738%0.383SS*.THydrogen-bonded Turntrans79.220-173.700000113.9V452 E453 R454V452-G456 PolarHBondContact O-N 2.89Å; E453-G456 PolarHBondContact O-N 3.11Å; E453-G456 VanDerWaalsContact O-N 3.13Å; R454-G456 VanDerWaalsContact C-N 3.34Å
457G83.2Confident81.8Confident29 Ų2977.5 Ų77.530%0.29940%0.402SS..SBendtrans124.3179.3-175.600000112.8V452 C455V452-G457 PolarHBondContact O-N 2.91Å; C455-G457 WeakPolarHBondContact CB-O 3.25Å
458L81.1Confident81.2Confident68 Ų6879.7 Ų79.736%0.35641%0.413SS..SBendtrans-81.3-25.8176.1-65174.2000112.6D436 L439 I440 L443 V452D436-L458 HydrophobicContact CB-CD1 4.13Å; L439-L458 HydrophobicContact CD2-CD1 4.38Å; L439-L458 HydrophobicContact CD2-CD2 4.16Å; I440-L458 HydrophobicContact CD1-CD1 4.27Å; I440-L458 HydrophobicContact CG1-CD1 4.19Å; L443-L458 HydrophobicContact CD1-CD2 4.45Å; V452-L458 HydrophobicContact CG1-CD2 4.36Å; V452-L458 HydrophobicContact CG1-CG 4.49Å; V452-L458 HydrophobicContact CG2-CD2 4.31Å
459D79.5Confident80.9Confident147 Ų14781 Ų8179%0.78642%0.422SS*.SBendtrans-101.5-2.8-173.5-58.3-44.1000114.3E461D459-E461 PolarHBondContact O-N 3.2Å
460A80.3Confident80.7Confident41 Ų4179.4 Ų79.434%0.33941%0.411SS..PPolyproline II helixtrans-68.4134.2-176.500000110.9C455 I462C455-A460 WeakPolarHBondContact O-CB 3.43Å; A460-I462 PolarHBondContact O-N 3.39Å
461E77.1Confident80.5Confident163 Ų16379.5 Ų79.576%0.76242%0.417SS*.PPolyproline II helixtrans-67.9119.7172-73.4-173.8176.200110D459 F463D459-E461 PolarHBondContact O-N 3.2Å; E461-F463 HydrophobicContact CB-CE2 4.24Å; E461-F463 HydrophobicContact CB-CZ 4.19Å
462I78.2Confident80.3Confident57 Ų5783.6 Ų83.629%0.29244%0.444SS..PPolyproline II helixtrans-100.9127.5-178.2-68165.1000109.2C455 A460 W464 W466C455-I462 HydrophobicContact CB-CD1 3.82Å; C455-I462 HydrophobicContact CB-CG1 4.38Å; C455-I462 VanDerWaalsContact SG-CD1 3.53Å; A460-I462 PolarHBondContact O-N 3.39Å; I462-W464 HydrophobicContact CG2-CD2 3.8Å; I462-W464 VanDerWaalsContact CG2-CE2 3.43Å; I462-W464 HydrophobicContact CG2-CG 3.7Å; I462-W464 HydrophobicContact CG2-CZ2 4.11Å; I462-W466 HydrophobicContact CD1-CH2 3.71Å; I462-W466 HydrophobicContact CD1-CZ2 3.34Å
463F77.4Confident80.3Confident183 Ų18382.3 Ų82.380%0.80344%0.438SS*.  trans-103.58.4-176.7-63.2-79000114.5E461E461-F463 HydrophobicContact CB-CE2 4.24Å; E461-F463 HydrophobicContact CB-CZ 4.19Å
464W78.8Confident80.3Confident103 Ų10375.8 Ų75.839%0.3941%0.408SS..SBendtrans-105.5160.2176.455.359.6000112.4R454 I462 V469R454-W464 HydrophobicContact CG-CH2 4.38Å; R454-W464 HydrophobicContact CG-CZ2 4.48Å; R454-W464 WeakPolarHBondContact O-CH2 3.36Å; I462-W464 HydrophobicContact CG2-CD2 3.8Å; I462-W464 VanDerWaalsContact CG2-CE2 3.43Å; I462-W464 HydrophobicContact CG2-CG 3.7Å; I462-W464 HydrophobicContact CG2-CZ2 4.11Å; W464-V469 HydrophobicContact CB-CG2 3.86Å; W464-V469 HydrophobicContact CD2-CG1 4.45Å; W464-V469 HydrophobicContact CD2-CG2 4.29Å; W464-V469 HydrophobicContact CG-CG1 4.45Å; W464-V469 HydrophobicContact CG-CG2 3.71Å
465D72.4Confident80.2Confident65 Ų6570.3 Ų70.335%0.34839%0.389SS..  trans-81.4126.8171.3-163.4-33.4000109.4N467 D468 V469D465-N467 PolarHBondContact O-N 3.43Å; D465-N467 PolarHBondContact OD1-N 3.32Å; D465-N467 VanDerWaalsContact OD1-N 3.12Å; D465-N467 PolarHBondContact OD1-ND2 3.39Å; D465-D468 PolarHBondContact O-N 3.43Å; D465-V469 WeakPolarHBondContact O-CG2 3.4Å
466W77.3Confident80.3Confident80 Ų8069.7 Ų69.730%0.30338%0.384SS..Hα-helixtrans-62.8-28.1-178.9-72.5104.6000112.7I426 C455 I462 D468 V469 L470I426-W466 HydrophobicContact CG2-CB 3.53Å; C455-W466 VanDerWaalsContact SG-CH2 3.52Å; I462-W466 HydrophobicContact CD1-CH2 3.71Å; I462-W466 HydrophobicContact CD1-CZ2 3.34Å; W466-D468 VanDerWaalsContact C-N 3.3Å; W466-D468 PolarHBondContact O-N 2.91Å; W466-V469 PolarHBondContact O-N 3Å; W466-L470 HydrophobicContact CB-CD1 4.3Å; W466-L470 HydrophobicContact CE3-CD1 3.76Å; W466-L470 HydrophobicContact CE3-CD2 4.07Å; W466-L470 HydrophobicContact CE3-CG 3.85Å; W466-L470 HydrophobicContact CZ3-CD1 4.47Å; W466-L470 HydrophobicContact CZ3-CD2 4.18Å; W466-L470 HydrophobicContact CZ3-CG 4.47Å; W466-L470 WeakPolarHBondContact O-CB 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.22Å; W466-L470 PolarHBondContact O-N 2.87Å; W466-L470 VanDerWaalsContact O-N 3.14Å
467N72Confident80.4Confident80 Ų8068.7 Ų68.743%0.42836%0.36SS..Hα-helixtrans-67.2-30.5178.6-62.3-51.3000112.7I426 D465I426-N467 VanDerWaalsContact CB-OD1 3.27Å; I426-N467 WeakPolarHBondContact CB-OD1 3.32Å; I426-N467 WeakPolarHBondContact CD1-OD1 3.34Å; I426-N467 WeakPolarHBondContact CG2-OD1 3.25Å; D465-N467 PolarHBondContact O-N 3.43Å; D465-N467 PolarHBondContact OD1-N 3.32Å; D465-N467 VanDerWaalsContact OD1-N 3.12Å; D465-N467 PolarHBondContact OD1-ND2 3.39Å
468D74.3Confident80.5Confident119 Ų11968.7 Ų68.764%0.63635%0.353SS*.Hα-helixtrans-85.9-18.7-178.1-63.5-18.2000112.3D465 W466D465-D468 PolarHBondContact O-N 3.43Å; W466-D468 VanDerWaalsContact C-N 3.3Å; W466-D468 PolarHBondContact O-N 2.91Å
469V81.4Confident80.5Confident29 Ų2965.8 Ų65.818%0.17634%0.339CS..Hα-helixtrans-108.8-32.3-164.5170.30000112.8R454 W464 D465 W466R454-V469 PolarHBondContact NH1-O 2.86Å; R454-V469 VanDerWaalsContact NH2-CG1 3.25Å; W464-V469 HydrophobicContact CB-CG2 3.86Å; W464-V469 HydrophobicContact CD2-CG1 4.45Å; W464-V469 HydrophobicContact CD2-CG2 4.29Å; W464-V469 HydrophobicContact CG-CG1 4.45Å; W464-V469 HydrophobicContact CG-CG2 3.71Å; D465-V469 WeakPolarHBondContact O-CG2 3.4Å; W466-V469 PolarHBondContact O-N 3Å
470L82.8Confident80.7Confident15 Ų1558.9 Ų58.98%0.07930%0.301CS..SBendtrans-87.1136.8178.1-64.5176.1000110.4I426 L451 W466 E474 L478I426-L470 HydrophobicContact CG2-CD1 4.13Å; L451-L470 HydrophobicContact CD1-CD2 3.73Å; L451-L470 HydrophobicContact CD2-CD2 3.77Å; L451-L470 HydrophobicContact CG-CD2 4.44Å; W466-L470 HydrophobicContact CB-CD1 4.3Å; W466-L470 HydrophobicContact CE3-CD1 3.76Å; W466-L470 HydrophobicContact CE3-CD2 4.07Å; W466-L470 HydrophobicContact CE3-CG 3.85Å; W466-L470 HydrophobicContact CZ3-CD1 4.47Å; W466-L470 HydrophobicContact CZ3-CD2 4.18Å; W466-L470 HydrophobicContact CZ3-CG 4.47Å; W466-L470 WeakPolarHBondContact O-CB 3.27Å; W466-L470 WeakPolarHBondContact O-CG 3.22Å; W466-L470 PolarHBondContact O-N 2.87Å; W466-L470 VanDerWaalsContact O-N 3.14Å; L470-E474 HydrophobicContact CB-CB 4.41Å; L470-E474 HydrophobicContact CD2-CB 4.24Å; L470-L478 HydrophobicContact CD1-CD2 4.06Å
471T84.5Confident80.9Confident74 Ų7457 Ų5745%0.45429%0.286SS..  trans-68.5153.7166.561.90000110.2G473 E474 A475T471-G473 PolarHBondContact O-N 2.94Å; T471-G473 VanDerWaalsContact O-N 3.14Å; T471-E474 PolarHBondContact N-OE2 3.27Å; T471-E474 WeakPolarHBondContact O-CB 3.45Å; T471-E474 PolarHBondContact O-N 3.11Å; T471-E474 WeakPolarHBondContact OG1-CB 3.07Å; T471-E474 WeakPolarHBondContact OG1-CG 3.31Å; T471-E474 PolarHBondContact OG1-N 3.28Å; T471-E474 PolarHBondContact OG1-OE2 3.05Å; T471-A475 PolarHBondContact O-N 3.25Å
472P82.1Confident81.1Confident95 Ų9552.5 Ų52.562%0.61726%0.262SS*.Hα-helixtrans-54.4-36.9178.3-28.135000113.4Q476 A499P472-Q476 PolarHBondContact O-N 3.43Å; P472-Q476 VanDerWaalsContact O-N 3.08Å; P472-A499 HydrophobicContact CB-CB 3.96Å
473G84.4Confident81.3Confident11 Ų1149.8 Ų49.811%0.11325%0.248CC..Hα-helixtrans-69.6-33.1175.600000113.9T471 R477T471-G473 PolarHBondContact O-N 2.94Å; T471-G473 VanDerWaalsContact O-N 3.14Å; G473-R477 VanDerWaalsContact O-CG 3.24Å; G473-R477 WeakPolarHBondContact O-CG 3.29Å; G473-R477 PolarHBondContact O-N 2.63Å; G473-R477 VanDerWaalsContact O-N 3.14Å
474E86.7Confident81.6Confident25 Ų2541.2 Ų41.212%0.11721%0.21CC..Hα-helixtrans-72-41.8173.4-73.2166.314700111.6L448 H450 L470 T471 Q476 R477 L478L448-E474 HydrophobicContact CD2-CB 4.12Å; L448-E474 HydrophobicContact CD2-CG 3.88Å; H450-E474 IonicContact CD2-OE1 3.9Å; H450-E474 IonicContact CE1-OE1 2.9Å; H450-E474 PolarHBondContact CE1-OE1 3.08Å; H450-E474 IonicContact NE2-OE1 2.59Å; H450-E474 PolarHBondContact NE2-OE1 3.33Å; L470-E474 HydrophobicContact CB-CB 4.41Å; L470-E474 HydrophobicContact CD2-CB 4.24Å; T471-E474 PolarHBondContact N-OE2 3.27Å; T471-E474 WeakPolarHBondContact O-CB 3.45Å; T471-E474 PolarHBondContact O-N 3.11Å; T471-E474 WeakPolarHBondContact OG1-CB 3.07Å; T471-E474 WeakPolarHBondContact OG1-CG 3.31Å; T471-E474 PolarHBondContact OG1-N 3.28Å; T471-E474 PolarHBondContact OG1-OE2 3.05Å; E474-Q476 VanDerWaalsContact C-N 3.35Å; E474-Q476 PolarHBondContact O-N 2.95Å; E474-R477 PolarHBondContact O-N 3.12Å; E474-L478 WeakPolarHBondContact O-CB 3.26Å; E474-L478 PolarHBondContact O-N 2.99Å
475A83.5Confident81.8Confident8 Ų837.8 Ų37.87%0.06620%0.198CC..Hα-helixtrans-56.3-47.6174.700000111.8I426 T471 L478 S479I426-A475 HydrophobicContact CD1-CB 3.46Å; I426-A475 VanDerWaalsContact CD1-CB 3.46Å; I426-A475 HydrophobicContact CG1-CB 3.68Å; T471-A475 PolarHBondContact O-N 3.25Å; A475-L478 PolarHBondContact O-N 3.14Å; A475-S479 PolarHBondContact O-N 2.93Å
476Q85.5Confident82.1Confident7 Ų737.2 Ų37.23%0.03319%0.193CC..Hα-helixtrans-63.5-40.7175.2-79.4-176.5-9.800113.1D423 P472 E474 L478 S479 V480 E495 A496 T497 S498 A499 M500D423-Q476 PolarHBondContact OD1-NE2 3.09Å; P472-Q476 PolarHBondContact O-N 3.43Å; P472-Q476 VanDerWaalsContact O-N 3.08Å; E474-Q476 VanDerWaalsContact C-N 3.35Å; E474-Q476 PolarHBondContact O-N 2.95Å; Q476-L478 VanDerWaalsContact C-N 3.3Å; Q476-L478 PolarHBondContact O-N 3.13Å; Q476-S479 PolarHBondContact O-N 3.25Å; Q476-S479 PolarHBondContact O-OG 3.37Å; Q476-V480 WeakPolarHBondContact O-CG2 3.4Å; Q476-V480 PolarHBondContact O-N 3.09Å; Q476-E495 PolarHBondContact NE2-O 3.24Å; Q476-A496 WeakPolarHBondContact CB-O 3.35Å; Q476-A496 WeakPolarHBondContact CG-O 3.25Å; Q476-T497 VanDerWaalsContact OE1-C 3.31Å; Q476-S498 PolarHBondContact NE2-OG 2.68Å; Q476-A499 VanDerWaalsContact OE1-CB 3.27Å; Q476-M500 HydrophobicContact CB-CG 4.17Å; Q476-M500 HydrophobicContact CB-SD 4.26Å
477R86.2Confident82.3Confident43 Ų4340.1 Ų40.116%0.16220%0.204CC..Hα-helixtrans-63.1-38.8174.9-75.1175.7-154.5-175.84.6112V446 L448 G473 E474 L481 M500V446-R477 WeakPolarHBondContact O-CD 3.48Å; L448-R477 HydrophobicContact CD1-CB 3.66Å; L448-R477 HydrophobicContact CD2-CB 4.19Å; L448-R477 HydrophobicContact CG-CB 4.02Å; G473-R477 VanDerWaalsContact O-CG 3.24Å; G473-R477 WeakPolarHBondContact O-CG 3.29Å; G473-R477 PolarHBondContact O-N 2.63Å; G473-R477 VanDerWaalsContact O-N 3.14Å; E474-R477 PolarHBondContact O-N 3.12Å; R477-L481 WeakPolarHBondContact O-CB 3.13Å; R477-L481 PolarHBondContact O-N 3.32Å; R477-M500 HydrophobicContact CG-CE 3.3Å; R477-M500 HydrophobicContact CG-SD 3.81Å
478L85.2Confident82.7Confident29 Ų2937 Ų3715%0.15219%0.188CC..Hα-helixtrans-70.5-35.8178.2-166.970.6000111.5F429 L448 L470 E474 A475 Q476 L481 R482F429-L478 HydrophobicContact CE2-CD1 4.2Å; F429-L478 HydrophobicContact CE2-CG 4.1Å; L448-L478 HydrophobicContact CD1-CB 4.1Å; L448-L478 HydrophobicContact CD1-CD1 4.17Å; L470-L478 HydrophobicContact CD1-CD2 4.06Å; E474-L478 WeakPolarHBondContact O-CB 3.26Å; E474-L478 PolarHBondContact O-N 2.99Å; A475-L478 PolarHBondContact O-N 3.14Å; Q476-L478 VanDerWaalsContact C-N 3.3Å; Q476-L478 PolarHBondContact O-N 3.13Å; L478-L481 HydrophobicContact CD1-CD2 3.89Å; L478-L481 WeakPolarHBondContact O-CB 3.3Å; L478-L481 PolarHBondContact O-N 3.3Å; L478-R482 PolarHBondContact O-N 3Å
479S81.8Confident83Confident8 Ų834.9 Ų34.96%0.05618%0.176CC..Hα-helixtrans-66.5-43.6174.278.70000111.2L421 A475 Q476 L481 R482L421-S479 WeakPolarHBondContact CD1-O 3.34Å; L421-S479 VanDerWaalsContact CD2-O 3.24Å; L421-S479 WeakPolarHBondContact CD2-O 3.4Å; A475-S479 PolarHBondContact O-N 2.93Å; Q476-S479 PolarHBondContact O-N 3.25Å; Q476-S479 PolarHBondContact O-OG 3.37Å; S479-L481 PolarHBondContact O-N 3.32Å; S479-R482 VanDerWaalsContact O-CB 3.27Å; S479-R482 WeakPolarHBondContact O-CB 3.23Å; S479-R482 PolarHBondContact O-N 3.35Å
480V83.3Confident83.1Confident1 Ų133.6 Ų33.61%0.00617%0.168CC..Hα-helixtrans-63.8-41.1173.5169.60000111.9Q476 R482 A483 L484 I508Q476-V480 WeakPolarHBondContact O-CG2 3.4Å; Q476-V480 PolarHBondContact O-N 3.09Å; V480-R482 PolarHBondContact O-N 3.21Å; V480-A483 PolarHBondContact O-N 3.36Å; V480-L484 HydrophobicContact CG1-CD1 4.11Å; V480-L484 HydrophobicContact CG1-CG 4.26Å; V480-L484 PolarHBondContact O-N 2.83Å; V480-I508 HydrophobicContact CB-CD1 4.3Å; V480-I508 HydrophobicContact CB-CG2 4.37Å; V480-I508 HydrophobicContact CG1-CB 4.22Å; V480-I508 HydrophobicContact CG1-CD1 3.91Å; V480-I508 HydrophobicContact CG1-CG1 3.9Å; V480-I508 HydrophobicContact CG1-CG2 3.36Å; V480-I508 HydrophobicContact CG2-CD1 4.32Å; V480-I508 HydrophobicContact CG2-CG2 4.13Å
481L85Confident83.2Confident1 Ų132.9 Ų32.91%0.00516%0.164CC..Hα-helixtrans-53.1-38.2176.1-17975.1000111.3L439 L442 L443 V446 R477 L478 S479 L484 Y485L439-L481 HydrophobicContact CD1-CD2 4.14Å; L442-L481 VanDerWaalsContact C-CD1 3.45Å; L442-L481 HydrophobicContact CB-CD1 3.4Å; L443-L481 HydrophobicContact CD2-CD2 3.44Å; L443-L481 VanDerWaalsContact CD2-CD2 3.44Å; L443-L481 HydrophobicContact CG-CD2 3.87Å; V446-L481 HydrophobicContact CG1-CD1 4.32Å; V446-L481 HydrophobicContact CG2-CB 4.47Å; V446-L481 HydrophobicContact CG2-CD1 3.88Å; R477-L481 WeakPolarHBondContact O-CB 3.13Å; R477-L481 PolarHBondContact O-N 3.32Å; L478-L481 HydrophobicContact CD1-CD2 3.89Å; L478-L481 WeakPolarHBondContact O-CB 3.3Å; L478-L481 PolarHBondContact O-N 3.3Å; S479-L481 PolarHBondContact O-N 3.32Å; L481-L484 PolarHBondContact O-N 3.18Å; L481-Y485 WeakPolarHBondContact O-CB 3.39Å; L481-Y485 PolarHBondContact O-N 3.44Å
482R81.4Confident83.3Confident69 Ų6929.3 Ų29.326%0.2614%0.143SC..Hα-helixtrans-61.3-43.5175.9-174.6-179176.2-178.4-1.3112.3L478 S479 V480 Y485 H486L478-R482 PolarHBondContact O-N 3Å; S479-R482 VanDerWaalsContact O-CB 3.27Å; S479-R482 WeakPolarHBondContact O-CB 3.23Å; S479-R482 PolarHBondContact O-N 3.35Å; V480-R482 PolarHBondContact O-N 3.21Å; R482-Y485 PolarHBondContact O-N 3.38Å; R482-H486 PolarHBondContact O-CD2 2.77Å; R482-H486 VanDerWaalsContact O-CD2 3.26Å; R482-H486 PolarHBondContact O-N 2.64Å; R482-H486 VanDerWaalsContact O-N 3.14Å
483A81.3Confident83.6Confident0 Ų024.9 Ų24.90%011%0.114CC..Hα-helixtrans-66.4-40.2174.500000112L421 V480 Y485 R487 P488 T491 L512L421-A483 HydrophobicContact CD1-CB 3.57Å; V480-A483 PolarHBondContact O-N 3.36Å; A483-Y485 VanDerWaalsContact C-N 3.32Å; A483-Y485 PolarHBondContact O-N 3.08Å; A483-R487 PolarHBondContact O-N 2.84Å; A483-P488 WeakPolarHBondContact O-CD 3.49Å; A483-T491 HydrophobicContact CB-CG2 4.1Å; A483-L512 HydrophobicContact CB-CD2 4.14Å
484L84.2Confident83.7Confident3 Ų325 Ų252%0.01611%0.112CC..Hα-helixtrans-63.4-37.3176.4-68174.8000112.7L442 V446 V480 L481 R487 H511 L512L442-L484 HydrophobicContact CD2-CB 4.23Å; V446-L484 HydrophobicContact CG1-CD1 4.07Å; V480-L484 HydrophobicContact CG1-CD1 4.11Å; V480-L484 HydrophobicContact CG1-CG 4.26Å; V480-L484 PolarHBondContact O-N 2.83Å; L481-L484 PolarHBondContact O-N 3.18Å; L484-R487 WeakPolarHBondContact O-CG 3.3Å; L484-H511 HydrophobicContact CD2-CB 3.77Å; L484-L512 HydrophobicContact CD2-CD2 3.78Å; L484-L512 HydrophobicContact CD2-CG 4.07Å; L484-L512 HydrophobicContact CG-CD2 4.34Å
485Y82.7Confident83.6Confident31 Ų3127 Ų2712%0.12212%0.121CC..Hα-helixtrans-68.2-48.6178.8-175.1-96.7000112I433 V434 L439 L442 L481 R482 A483I433-Y485 WeakPolarHBondContact CA-OH 3.45Å; V434-Y485 PolarHBondContact N-OH 2.54Å; L439-Y485 HydrophobicContact CB-CE2 4.29Å; L439-Y485 HydrophobicContact CD1-CD2 4.36Å; L442-Y485 HydrophobicContact CD1-CD2 3.82Å; L442-Y485 HydrophobicContact CD1-CG 4.44Å; L481-Y485 WeakPolarHBondContact O-CB 3.39Å; L481-Y485 PolarHBondContact O-N 3.44Å; R482-Y485 PolarHBondContact O-N 3.38Å; A483-Y485 VanDerWaalsContact C-N 3.32Å; A483-Y485 PolarHBondContact O-N 3.08Å
486H79.3Confident83.4Confident53 Ų5326.8 Ų26.825%0.24512%0.119CC..Hα-helixtrans-80.4-20.3-176.2-72.7-62000114.5I419 R482I419-H486 HydrophobicContact CD1-CB 3.53Å; R482-H486 PolarHBondContact O-CD2 2.77Å; R482-H486 VanDerWaalsContact O-CD2 3.26Å; R482-H486 PolarHBondContact O-N 2.64Å; R482-H486 VanDerWaalsContact O-N 3.14Å
487R81.2Confident83.3Confident142 Ų14226.8 Ų26.854%0.53612%0.119SC..  trans48.358.9-178.4-56.8-177.2-177.6166.71.2112.6A483 L484A483-R487 PolarHBondContact O-N 2.84Å; L484-R487 WeakPolarHBondContact O-CG 3.3Å
488P79.6Confident83.2Confident15 Ų1527.2 Ų27.210%0.09713%0.129CC..  trans-67.2158-179.934-39.6000111.4I419 A483 T491 T517I419-P488 HydrophobicContact CB-CB 4.18Å; I419-P488 HydrophobicContact CB-CG 4.08Å; I419-P488 HydrophobicContact CD1-CB 3.72Å; I419-P488 HydrophobicContact CD1-CG 3.74Å; I419-P488 HydrophobicContact CG1-CB 3.74Å; I419-P488 HydrophobicContact CG1-CG 4.01Å; A483-P488 WeakPolarHBondContact O-CD 3.49Å; P488-T491 WeakPolarHBondContact CG-OG1 3.48Å; P488-T517 HydrophobicContact CG-CG2 4.15Å; P488-T517 WeakPolarHBondContact O-CB 3.47Å; P488-T517 WeakPolarHBondContact O-CG2 3.46Å; P488-T517 PolarHBondContact O-OG1 2.79Å
489L80.9Confident83Confident73 Ų7328.1 Ų28.138%0.38214%0.141SC..SBendtrans-68.6-36.1173.3-69.1171.2000111.6A417 T518A417-L489 HydrophobicContact CB-CD1 4.13Å; L489-T518 VanDerWaalsContact O-CB 3.31Å; L489-T518 WeakPolarHBondContact O-CB 3.49Å; L489-T518 PolarHBondContact O-N 2.7Å; L489-T518 PolarHBondContact O-OG1 2.93Å
490L83.3Confident83Confident2 Ų228 Ų281%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-131.4130.3178-172.659.3000110.8L350 I351 I378 I419 F492 T518 V520L350-L490 HydrophobicContact CB-CD2 4.46Å; L350-L490 HydrophobicContact CD1-CB 4.24Å; L350-L490 HydrophobicContact CD1-CD1 4.22Å; I351-L490 HydrophobicContact CD1-CD2 3.61Å; I351-L490 HydrophobicContact CG1-CD2 4.13Å; I378-L490 HydrophobicContact CG2-CD1 4.07Å; I419-L490 PolarHBondContact N-O 3.42Å; I419-L490 VanDerWaalsContact N-O 3.15Å; L490-F492 HydrophobicContact CD2-CE1 4.25Å; L490-F492 HydrophobicContact CD2-CE2 3.87Å; L490-F492 HydrophobicContact CD2-CZ 3.53Å; L490-F492 HydrophobicContact CG-CE2 4.16Å; L490-F492 HydrophobicContact CG-CZ 4.1Å; L490-T518 HydrophobicContact CD1-CG2 3.83Å; L490-V520 HydrophobicContact CD1-CG2 3.8Å
491T86Confident83.1Confident0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-121.4128.8172-60.40000110.8I419 L421 A483 P488 L493 T517 T518 V520I419-T491 WeakPolarHBondContact O-CA 3.39Å; L421-T491 HydrophobicContact CD1-CG2 3.96Å; L421-T491 HydrophobicContact CG-CG2 4.38Å; A483-T491 HydrophobicContact CB-CG2 4.1Å; P488-T491 WeakPolarHBondContact CG-OG1 3.48Å; T491-L493 HydrophobicContact CG2-CD2 3.6Å; T491-L493 HydrophobicContact CG2-CG 4.01Å; T491-T517 WeakPolarHBondContact OG1-CG2 3.5Å; T491-T518 PolarHBondContact N-O 3.41Å; T491-V520 PolarHBondContact O-N 3.43Å
492F86.9Confident83.1Confident0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-94.8126.1168.2-60.9-77.1000109.7I351 L398 L401 C402 C418 I419 Y420 L421 L490 V520I351-F492 HydrophobicContact CD1-CE1 4.49Å; I351-F492 HydrophobicContact CD1-CZ 3.65Å; L398-F492 HydrophobicContact CD2-CB 4.41Å; L398-F492 HydrophobicContact CD2-CD1 3.64Å; L398-F492 HydrophobicContact CD2-CE1 4.36Å; L398-F492 HydrophobicContact CD2-CG 4.39Å; L401-F492 HydrophobicContact CB-CE1 3.93Å; L401-F492 HydrophobicContact CB-CZ 3.91Å; L401-F492 HydrophobicContact CD1-CE1 3.79Å; L401-F492 HydrophobicContact CD1-CZ 4.48Å; L401-F492 HydrophobicContact CG-CE1 4.48Å; C402-F492 WeakPolarHBondContact SG-CD2 3.35Å; C418-F492 HydrophobicContact CB-CD2 4.41Å; C418-F492 HydrophobicContact CB-CE2 3.9Å; I419-F492 PolarHBondContact O-N 3.16Å; Y420-F492 HydrophobicContact CD2-CB 3.65Å; Y420-F492 HydrophobicContact CD2-CG 4.36Å; Y420-F492 HydrophobicContact CE2-CB 4.28Å; L421-F492 WeakPolarHBondContact CB-O 3.3Å; L421-F492 PolarHBondContact N-O 3.36Å; L490-F492 HydrophobicContact CD2-CE1 4.25Å; L490-F492 HydrophobicContact CD2-CE2 3.87Å; L490-F492 HydrophobicContact CD2-CZ 3.53Å; L490-F492 HydrophobicContact CG-CE2 4.16Å; L490-F492 HydrophobicContact CG-CZ 4.1Å; F492-V520 CarbonylContact C-O 3.5Å; F492-V520 VanDerWaalsContact CA-O 3.28Å; F492-V520 WeakPolarHBondContact CA-O 3.34Å; F492-V520 HydrophobicContact CD1-CB 3.59Å; F492-V520 HydrophobicContact CD1-CG1 3.72Å; F492-V520 HydrophobicContact CD1-CG2 4.2Å; F492-V520 HydrophobicContact CE1-CB 3.87Å; F492-V520 HydrophobicContact CE1-CG1 3.95Å; F492-V520 HydrophobicContact CE1-CG2 3.98Å
493L87.5Confident83.2Confident1 Ų136.6 Ų36.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-11797.2179.1-59.6176.9000109.3L421 T491 E495 A496 Y509 L512 I519 V520 S521 V522L421-L493 HydrophobicContact CB-CD2 4.11Å; L421-L493 HydrophobicContact CD1-CD2 3.57Å; L421-L493 HydrophobicContact CG-CD2 4.36Å; T491-L493 HydrophobicContact CG2-CD2 3.6Å; T491-L493 HydrophobicContact CG2-CG 4.01Å; L493-E495 PolarHBondContact O-N 3.42Å; L493-A496 HydrophobicContact CB-CB 4.2Å; L493-A496 HydrophobicContact CD2-CB 4.17Å; L493-Y509 HydrophobicContact CD1-CE1 3.87Å; L493-L512 HydrophobicContact CD1-CD1 4.02Å; L493-I519 HydrophobicContact CD1-CG2 3.7Å; L493-I519 HydrophobicContact CG-CG2 4.36Å; L493-V520 PolarHBondContact N-O 3.17Å; L493-S521 CarbonylContact O-C 3.52Å; L493-S521 VanDerWaalsContact O-CA 3.28Å; L493-S521 WeakPolarHBondContact O-CA 3.46Å; L493-V522 PolarHBondContact O-N 3.03Å
494D86.8Confident83.4Confident14 Ų1440.8 Ų40.88%0.07522%0.219CC..EExtended strand (participates in β ladder)trans-89.798.5175.8-165.524.6000110.4T395 L398 Y420 L421 A496 V522T395-D494 WeakPolarHBondContact CB-OD2 3.39Å; T395-D494 WeakPolarHBondContact CG2-OD2 3.49Å; T395-D494 PolarHBondContact OG1-OD1 3.45Å; T395-D494 PolarHBondContact OG1-OD2 3.44Å; L398-D494 HydrophobicContact CD1-CB 3.56Å; Y420-D494 HydrophobicContact CE2-CB 4.4Å; Y420-D494 PolarHBondContact OH-OD2 3.02Å; L421-D494 PolarHBondContact O-N 2.91Å; D494-A496 PolarHBondContact O-N 3.44Å; D494-V522 WeakPolarHBondContact OD1-CB 3.36Å
495E84.2Confident83.5Confident68 Ų6840.7 Ų40.732%0.31822%0.219SC..SBendtrans53.314.5-177.3-64.5-168.9-173.100115.6D423 Q476 L493 T497 S498 V522 H524D423-E495 VanDerWaalsContact OD2-CB 3.31Å; D423-E495 WeakPolarHBondContact OD2-CB 3.4Å; Q476-E495 PolarHBondContact NE2-O 3.24Å; L493-E495 PolarHBondContact O-N 3.42Å; E495-T497 PolarHBondContact O-N 3.38Å; E495-S498 WeakPolarHBondContact O-CB 3.47Å; E495-S498 PolarHBondContact O-N 3.36Å; E495-S498 PolarHBondContact O-OG 3.5Å; E495-S498 VanDerWaalsContact O-OG 3.07Å; E495-V522 HydrophobicContact CG-CG1 4.17Å; E495-V522 PolarHBondContact N-O 3.16Å; E495-H524 IonicContact OE1-CD2 3.43Å; E495-H524 IonicContact OE1-NE2 3.94Å
496A79.8Confident83.8Confident2 Ų240.7 Ų40.72%0.01722%0.223CC..THydrogen-bonded Turntrans-59.1-3.7-168.500000117.2D423 Q476 L493 D494D423-A496 WeakPolarHBondContact OD1-CA 3.38Å; D423-A496 PolarHBondContact OD1-N 3Å; Q476-A496 WeakPolarHBondContact CB-O 3.35Å; Q476-A496 WeakPolarHBondContact CG-O 3.25Å; L493-A496 HydrophobicContact CB-CB 4.2Å; L493-A496 HydrophobicContact CD2-CB 4.17Å; D494-A496 PolarHBondContact O-N 3.44Å
497T83.1Confident84.1Confident7 Ų740.2 Ų40.24%0.04323%0.225CC..THydrogen-bonded Turntrans-121.2917662.40000113.4Q476 E495 A499 M500 E505 Y509 R525Q476-T497 VanDerWaalsContact OE1-C 3.31Å; E495-T497 PolarHBondContact O-N 3.38Å; T497-A499 VanDerWaalsContact C-N 3.3Å; T497-A499 PolarHBondContact O-N 2.92Å; T497-M500 HydrophobicContact CG2-SD 4.37Å; T497-M500 WeakPolarHBondContact O-CB 3.39Å; T497-M500 PolarHBondContact O-N 3.47Å; T497-E505 WeakPolarHBondContact CB-OE1 3.46Å; T497-E505 HydrophobicContact CG2-CG 4.28Å; T497-E505 PolarHBondContact OG1-OE1 2.95Å; T497-Y509 HydrophobicContact CG2-CE2 3.91Å; T497-R525 PolarHBondContact O-NH1 3.03Å; T497-R525 VanDerWaalsContact O-NH1 3.17Å
498S83.7Confident84.4Confident53 Ų5333.8 Ų33.837%0.37120%0.201SC..THydrogen-bonded Turntrans-62.6-30-173.164.30000114.1D423 Q476 E495 R525D423-S498 PolarHBondContact OD2-OG 3.33Å; Q476-S498 PolarHBondContact NE2-OG 2.68Å; E495-S498 WeakPolarHBondContact O-CB 3.47Å; E495-S498 PolarHBondContact O-N 3.36Å; E495-S498 PolarHBondContact O-OG 3.5Å; E495-S498 VanDerWaalsContact O-OG 3.07Å; S498-R525 PolarHBondContact O-NH2 2.95Å
499A80.5Confident84.8Confident48 Ų4833.2 Ų33.240%0.39720%0.197SC..THydrogen-bonded Turntrans-96.44176.800000113.2P472 Q476 T497P472-A499 HydrophobicContact CB-CB 3.96Å; Q476-A499 VanDerWaalsContact OE1-CB 3.27Å; T497-A499 VanDerWaalsContact C-N 3.3Å; T497-A499 PolarHBondContact O-N 2.92Å
500M82.8Confident85.2Confident4 Ų433.3 Ų33.32%0.0220%0.195CC..SBendtrans-95.9148.6179.1-57.9-165.657.700112.2Q476 R477 T497 Y504 I508 R525Q476-M500 HydrophobicContact CB-CG 4.17Å; Q476-M500 HydrophobicContact CB-SD 4.26Å; R477-M500 HydrophobicContact CG-CE 3.3Å; R477-M500 HydrophobicContact CG-SD 3.81Å; T497-M500 HydrophobicContact CG2-SD 4.37Å; T497-M500 WeakPolarHBondContact O-CB 3.39Å; T497-M500 PolarHBondContact O-N 3.47Å; M500-Y504 HydrophobicContact CE-CG 4.42Å; M500-I508 HydrophobicContact CE-CD1 3.22Å; M500-I508 HydrophobicContact SD-CD1 3.52Å; M500-I508 VanDerWaalsContact SD-CD1 3.52Å; M500-R525 PolarHBondContact O-NH1 3.05Å; M500-R525 PolarHBondContact O-NH2 2.83Å
501G84.6Confident85.4Confident40 Ų4036.7 Ų36.741%0.41221%0.21SC..  trans-68.4154.5169.500000112.1D503 Y504 E505G501-D503 VanDerWaalsContact C-N 3.28Å; G501-D503 PolarHBondContact O-N 2.99Å; G501-Y504 PolarHBondContact O-N 3.45Å; G501-E505 PolarHBondContact O-N 3.39Å
502T84.7Confident85.4Confident81 Ų8136.8 Ų36.850%0.49721%0.21SC..Hα-helixtrans-57.1-36.4-175.248.30000113.8T506T502-T506 WeakPolarHBondContact O-CB 3.44Å; T502-T506 PolarHBondContact O-N 3.48Å; T502-T506 PolarHBondContact O-OG1 3.47Å
503D84.9Confident85.5Confident132 Ų13238.6 Ų38.671%0.70622%0.22SC*.Hα-helixtrans-69-41.8-178.1-60.2-17.6000111.4G501 S507G501-D503 VanDerWaalsContact C-N 3.28Å; G501-D503 PolarHBondContact O-N 2.99Å; D503-S507 PolarHBondContact O-N 3.11Å
504Y84.4Confident85.5Confident87 Ų8742.5 Ų42.534%0.34125%0.247SC..Hα-helixtrans-71.6-40.6176.9-72.1-72.1000112N447 M500 G501 T506 S507 I508N447-Y504 HydrophobicContact CB-CE1 4.15Å; N447-Y504 PolarHBondContact ND2-OH 3.39Å; N447-Y504 VanDerWaalsContact ND2-OH 3.12Å; M500-Y504 HydrophobicContact CE-CG 4.42Å; G501-Y504 PolarHBondContact O-N 3.45Å; Y504-T506 VanDerWaalsContact C-N 3.33Å; Y504-T506 PolarHBondContact O-N 3.42Å; Y504-S507 PolarHBondContact O-N 2.78Å; Y504-I508 WeakPolarHBondContact O-CB 3.41Å; Y504-I508 WeakPolarHBondContact O-CG1 3.31Å; Y504-I508 PolarHBondContact O-N 3.05Å
505E87.3Confident85.3Confident1 Ų144.5 Ų44.51%0.00526%0.258CS..Hα-helixtrans-55.4-51.2172.8179.5177.2-98.800110.1T497 G501 S507 I508 Y509 R525 S527 I528T497-E505 WeakPolarHBondContact CB-OE1 3.46Å; T497-E505 HydrophobicContact CG2-CG 4.28Å; T497-E505 PolarHBondContact OG1-OE1 2.95Å; G501-E505 PolarHBondContact O-N 3.39Å; E505-S507 VanDerWaalsContact C-N 3.32Å; E505-S507 PolarHBondContact O-N 3.47Å; E505-I508 PolarHBondContact O-N 3.29Å; E505-Y509 HydrophobicContact CG-CD2 3.93Å; E505-Y509 HydrophobicContact CG-CE2 3.88Å; E505-Y509 VanDerWaalsContact O-CD2 3.32Å; E505-Y509 WeakPolarHBondContact O-CD2 3.42Å; E505-Y509 PolarHBondContact O-N 2.93Å; E505-R525 VanDerWaalsContact OE1-CD 3.29Å; E505-R525 WeakPolarHBondContact OE1-CD 3.42Å; E505-R525 IonicContact OE1-CZ 3.33Å; E505-R525 IonicContact OE1-NE 3.38Å; E505-R525 IonicContact OE1-NH1 2.91Å; E505-R525 PolarHBondContact OE1-NH1 3.29Å; E505-R525 IonicContact OE2-NH1 3.94Å; E505-S527 WeakPolarHBondContact OE2-CB 3.34Å; E505-S527 PolarHBondContact OE2-OG 3.08Å; E505-I528 VanDerWaalsContact CD-CG2 3.43Å; E505-I528 HydrophobicContact CG-CG2 3.85Å
506T88Confident85.3Confident32 Ų3243.5 Ų43.520%0.19627%0.266CS..Hα-helixtrans-57.5-43.8177-59.30000111.9T502 Y504 K510 F531T502-T506 WeakPolarHBondContact O-CB 3.44Å; T502-T506 PolarHBondContact O-N 3.48Å; T502-T506 PolarHBondContact O-OG1 3.47Å; Y504-T506 VanDerWaalsContact C-N 3.33Å; Y504-T506 PolarHBondContact O-N 3.42Å; T506-K510 HydrophobicContact CG2-CD 4.43Å; T506-K510 VanDerWaalsContact O-CG 3.29Å; T506-K510 WeakPolarHBondContact O-CG 3.34Å; T506-K510 PolarHBondContact O-N 2.88Å; T506-K510 VanDerWaalsContact O-N 3.15Å; T506-F531 HydrophobicContact CG2-CZ 3.75Å
507S86.5Confident85.6Confident42 Ų4243.5 Ų43.529%0.29427%0.266SS..Hα-helixtrans-62.4-45.7177.7-173.50000111.8D503 Y504 E505 K510 H511D503-S507 PolarHBondContact O-N 3.11Å; Y504-S507 PolarHBondContact O-N 2.78Å; E505-S507 VanDerWaalsContact C-N 3.32Å; E505-S507 PolarHBondContact O-N 3.47Å; S507-K510 WeakPolarHBondContact O-CB 3.42Å; S507-K510 PolarHBondContact O-N 3.22Å; S507-H511 PolarHBondContact O-N 3.38Å; S507-H511 PolarHBondContact O-ND1 2.88Å; S507-H511 PolarHBondContact OG-CE1 2.97Å; S507-H511 PolarHBondContact OG-ND1 3.32Å
508I86.4Confident85.8Confident8 Ų843.2 Ų43.24%0.04126%0.264CS..Hα-helixtrans-62.2-50-179-80.6168.3000111.7V480 M500 Y504 E505 K510 H511 L512V480-I508 HydrophobicContact CB-CD1 4.3Å; V480-I508 HydrophobicContact CB-CG2 4.37Å; V480-I508 HydrophobicContact CG1-CB 4.22Å; V480-I508 HydrophobicContact CG1-CD1 3.91Å; V480-I508 HydrophobicContact CG1-CG1 3.9Å; V480-I508 HydrophobicContact CG1-CG2 3.36Å; V480-I508 HydrophobicContact CG2-CD1 4.32Å; V480-I508 HydrophobicContact CG2-CG2 4.13Å; M500-I508 HydrophobicContact CE-CD1 3.22Å; M500-I508 HydrophobicContact SD-CD1 3.52Å; M500-I508 VanDerWaalsContact SD-CD1 3.52Å; Y504-I508 WeakPolarHBondContact O-CB 3.41Å; Y504-I508 WeakPolarHBondContact O-CG1 3.31Å; Y504-I508 PolarHBondContact O-N 3.05Å; E505-I508 PolarHBondContact O-N 3.29Å; I508-K510 VanDerWaalsContact C-N 3.26Å; I508-K510 PolarHBondContact O-N 3.49Å; I508-H511 PolarHBondContact O-N 3.16Å; I508-H511 VanDerWaalsContact O-N 3.09Å; I508-L512 HydrophobicContact CG2-CD1 3.91Å; I508-L512 HydrophobicContact CG2-CG 4.47Å; I508-L512 WeakPolarHBondContact O-CG 3.27Å; I508-L512 PolarHBondContact O-N 3.08Å
509Y89.4Confident86.1Confident3 Ų340.7 Ų40.71%0.01225%0.246CC..Hα-helixtrans-60-40.8178.9-84.7-86.3000110.5L493 T497 E505 H511 L512 L513 I519 S521 I528 F531 H532L493-Y509 HydrophobicContact CD1-CE1 3.87Å; T497-Y509 HydrophobicContact CG2-CE2 3.91Å; E505-Y509 HydrophobicContact CG-CD2 3.93Å; E505-Y509 HydrophobicContact CG-CE2 3.88Å; E505-Y509 VanDerWaalsContact O-CD2 3.32Å; E505-Y509 WeakPolarHBondContact O-CD2 3.42Å; E505-Y509 PolarHBondContact O-N 2.93Å; Y509-H511 PolarHBondContact O-N 3.26Å; Y509-L512 PolarHBondContact O-N 3.45Å; Y509-L513 WeakPolarHBondContact O-CB 3.49Å; Y509-L513 WeakPolarHBondContact O-CG 3.29Å; Y509-L513 PolarHBondContact O-N 3.41Å; Y509-I519 HydrophobicContact CD1-CD1 3.99Å; Y509-I519 HydrophobicContact CE1-CG2 4.02Å; Y509-S521 WeakPolarHBondContact OH-CB 3.32Å; Y509-I528 HydrophobicContact CD2-CG2 4.18Å; Y509-I528 HydrophobicContact CE2-CB 4.37Å; Y509-I528 HydrophobicContact CE2-CG2 3.55Å; Y509-F531 HydrophobicContact CD1-CB 3.93Å; Y509-F531 HydrophobicContact CD1-CD2 4.09Å; Y509-F531 HydrophobicContact CD1-CG 4.19Å; Y509-F531 HydrophobicContact CD2-CD2 4.14Å; Y509-F531 HydrophobicContact CD2-CE2 4.39Å; Y509-F531 HydrophobicContact CG-CB 4.28Å; Y509-F531 AromaticContact CG-CD2 3.63Å; Y509-F531 HydrophobicContact CG-CD2 3.63Å; Y509-F531 HydrophobicContact CG-CE2 4.13Å; Y509-F531 HydrophobicContact CG-CG 4.02Å; Y509-H532 AromaticContact CE1-CE1 3.56Å; Y509-H532 AromaticContact CE1-NE2 3.98Å
510K88.9Confident86.5Confident75 Ų7538.4 Ų38.433%0.32623%0.227SC..Hα-helixtrans-59.6-42.6173.5-74178.4178.6-178.50113.1T506 S507 I508 L513 S514 F531 L556T506-K510 HydrophobicContact CG2-CD 4.43Å; T506-K510 VanDerWaalsContact O-CG 3.29Å; T506-K510 WeakPolarHBondContact O-CG 3.34Å; T506-K510 PolarHBondContact O-N 2.88Å; T506-K510 VanDerWaalsContact O-N 3.15Å; S507-K510 WeakPolarHBondContact O-CB 3.42Å; S507-K510 PolarHBondContact O-N 3.22Å; I508-K510 VanDerWaalsContact C-N 3.26Å; I508-K510 PolarHBondContact O-N 3.49Å; K510-L513 PolarHBondContact O-N 3.41Å; K510-S514 WeakPolarHBondContact O-CB 3.29Å; K510-S514 PolarHBondContact O-N 3.35Å; K510-S514 PolarHBondContact O-OG 3.18Å; K510-F531 HydrophobicContact CG-CE1 3.82Å; K510-F531 HydrophobicContact CG-CZ 4.33Å; K510-L556 HydrophobicContact CD-CD2 4.3Å; K510-L556 HydrophobicContact CG-CD2 4.26Å
511H86.6Confident86.8Confident73 Ų7338.2 Ų38.234%0.33823%0.227SC..Hα-helixtrans-65.2-44.9177.4-75.688000111.7L484 S507 I508 Y509 L513 S514 N515L484-H511 HydrophobicContact CD2-CB 3.77Å; S507-H511 PolarHBondContact O-N 3.38Å; S507-H511 PolarHBondContact O-ND1 2.88Å; S507-H511 PolarHBondContact OG-CE1 2.97Å; S507-H511 PolarHBondContact OG-ND1 3.32Å; I508-H511 PolarHBondContact O-N 3.16Å; I508-H511 VanDerWaalsContact O-N 3.09Å; Y509-H511 PolarHBondContact O-N 3.26Å; H511-L513 VanDerWaalsContact C-N 3.34Å; H511-L513 PolarHBondContact O-N 3.1Å; H511-S514 WeakPolarHBondContact CA-OG 3.29Å; H511-S514 PolarHBondContact O-N 2.62Å; H511-S514 PolarHBondContact O-OG 3.34Å; H511-N515 PolarHBondContact O-N 3.01Å; H511-N515 VanDerWaalsContact O-N 3.1Å
512L87.1Confident87.1Confident1 Ų136.4 Ų36.41%0.00521%0.207CC..Hα-helixtrans-59.5-44.6176.2-71.2169.7000111.8A483 L484 L493 I508 Y509 N515 T517 I519A483-L512 HydrophobicContact CB-CD2 4.14Å; L484-L512 HydrophobicContact CD2-CD2 3.78Å; L484-L512 HydrophobicContact CD2-CG 4.07Å; L484-L512 HydrophobicContact CG-CD2 4.34Å; L493-L512 HydrophobicContact CD1-CD1 4.02Å; I508-L512 HydrophobicContact CG2-CD1 3.91Å; I508-L512 HydrophobicContact CG2-CG 4.47Å; I508-L512 WeakPolarHBondContact O-CG 3.27Å; I508-L512 PolarHBondContact O-N 3.08Å; Y509-L512 PolarHBondContact O-N 3.45Å; L512-N515 PolarHBondContact O-N 3.13Å; L512-T517 PolarHBondContact O-N 3.17Å; L512-I519 HydrophobicContact CB-CD1 3.71Å; L512-I519 HydrophobicContact CB-CG1 4.38Å; L512-I519 HydrophobicContact CD1-CD1 4.32Å
513L88.5Confident87.1Confident39 Ų3933 Ų3320%0.20419%0.188CC..Hα-helixtrans-62.2-43.6175.6-68.4175.7000112H383 Y509 K510 H511 N515 G516 I519 F531H383-L513 WeakPolarHBondContact CE1-CD2 3.42Å; H383-L513 WeakPolarHBondContact NE2-CD2 3.45Å; Y509-L513 WeakPolarHBondContact O-CB 3.49Å; Y509-L513 WeakPolarHBondContact O-CG 3.29Å; Y509-L513 PolarHBondContact O-N 3.41Å; K510-L513 PolarHBondContact O-N 3.41Å; H511-L513 VanDerWaalsContact C-N 3.34Å; H511-L513 PolarHBondContact O-N 3.1Å; L513-N515 PolarHBondContact O-N 3.49Å; L513-G516 PolarHBondContact O-N 3.03Å; L513-I519 HydrophobicContact CD2-CD1 3.76Å; L513-I519 HydrophobicContact CG-CD1 4.03Å; L513-F531 HydrophobicContact CD1-CB 4.13Å; L513-F531 HydrophobicContact CD1-CD1 3.62Å; L513-F531 HydrophobicContact CD1-CG 4.29Å
514S87Confident86.9Confident82 Ų8231.8 Ų31.857%0.57318%0.178SC*.Hα-helixtrans-64.6-24.9178.770.90000113.8K510 H511 G516K510-S514 WeakPolarHBondContact O-CB 3.29Å; K510-S514 PolarHBondContact O-N 3.35Å; K510-S514 PolarHBondContact O-OG 3.18Å; H511-S514 WeakPolarHBondContact CA-OG 3.29Å; H511-S514 PolarHBondContact O-N 2.62Å; H511-S514 PolarHBondContact O-OG 3.34Å; S514-G516 PolarHBondContact O-N 3.36Å
515N84Confident86.8Confident56 Ų5631.5 Ų31.530%0.29918%0.177SC..THydrogen-bonded Turntrans-79.2-3.8175.5-73.9-16.1000113.1H511 L512 L513 T517H511-N515 PolarHBondContact O-N 3.01Å; H511-N515 VanDerWaalsContact O-N 3.1Å; L512-N515 PolarHBondContact O-N 3.13Å; L513-N515 PolarHBondContact O-N 3.49Å; N515-T517 VanDerWaalsContact C-N 3.27Å; N515-T517 PolarHBondContact O-N 2.97Å
516G84Confident86.6Confident48 Ų4838.4 Ų38.450%0.49521%0.209SC..THydrogen-bonded Turntrans74.316.3-176.900000113.9L513 S514L513-G516 PolarHBondContact O-N 3.03Å; S514-G516 PolarHBondContact O-N 3.36Å
517T84.9Confident86.3Confident2 Ų238.4 Ų38.41%0.01221%0.21CC..  trans-78.6128.3178.5-64.30000110.3H383 P488 T491 L512 N515H383-T517 PolarHBondContact CE1-O 2.63Å; H383-T517 VanDerWaalsContact CE1-O 3.26Å; P488-T517 HydrophobicContact CG-CG2 4.15Å; P488-T517 WeakPolarHBondContact O-CB 3.47Å; P488-T517 WeakPolarHBondContact O-CG2 3.46Å; P488-T517 PolarHBondContact O-OG1 2.79Å; T491-T517 WeakPolarHBondContact OG1-CG2 3.5Å; L512-T517 PolarHBondContact O-N 3.17Å; N515-T517 VanDerWaalsContact C-N 3.27Å; N515-T517 PolarHBondContact O-N 2.97Å
518T88Confident86.4Confident0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-73.8134.6171.2-49.10000108.9L350 I378 Q380 G381 R382 L489 L490 T491L350-T518 HydrophobicContact CD1-CG2 4.19Å; I378-T518 HydrophobicContact CG2-CG2 4.4Å; Q380-T518 WeakPolarHBondContact CA-OG1 3.36Å; G381-T518 PolarHBondContact N-OG1 3.47Å; R382-T518 WeakPolarHBondContact O-CG2 3.38Å; L489-T518 VanDerWaalsContact O-CB 3.31Å; L489-T518 WeakPolarHBondContact O-CB 3.49Å; L489-T518 PolarHBondContact O-N 2.7Å; L489-T518 PolarHBondContact O-OG1 2.93Å; L490-T518 HydrophobicContact CD1-CG2 3.83Å; T491-T518 PolarHBondContact N-O 3.41Å
519I89.4Confident86.4Confident0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-115.9126.2-171.2-55.5174.4000108.7H383 L384 L493 Y509 L512 L513H383-I519 CarbonylContact C-O 3.57Å; H383-I519 VanDerWaalsContact CA-O 3.3Å; H383-I519 WeakPolarHBondContact CA-O 3.42Å; H383-I519 HydrophobicContact CB-CB 4.43Å; H383-I519 PolarHBondContact ND1-N 3.33Å; H383-I519 VanDerWaalsContact ND1-N 3.13Å; L384-I519 PolarHBondContact N-O 2.89Å; L493-I519 HydrophobicContact CD1-CG2 3.7Å; L493-I519 HydrophobicContact CG-CG2 4.36Å; Y509-I519 HydrophobicContact CD1-CD1 3.99Å; Y509-I519 HydrophobicContact CE1-CG2 4.02Å; L512-I519 HydrophobicContact CB-CD1 3.71Å; L512-I519 HydrophobicContact CB-CG1 4.38Å; L512-I519 HydrophobicContact CD1-CD1 4.32Å; L513-I519 HydrophobicContact CD2-CD1 3.76Å; L513-I519 HydrophobicContact CG-CD1 4.03Å
520V89.2Confident86.4Confident0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-118105.7167.3178.20000106.7I378 L384 I386 L398 L490 T491 F492 L493I378-V520 HydrophobicContact CD1-CG2 4.07Å; I378-V520 HydrophobicContact CG2-CG2 4.17Å; L384-V520 HydrophobicContact CB-CG1 4.43Å; L384-V520 HydrophobicContact CB-CG2 4.19Å; L384-V520 HydrophobicContact CD2-CG1 4.21Å; L384-V520 CarbonylContact O-C 3.5Å; L384-V520 VanDerWaalsContact O-CA 3.28Å; L384-V520 WeakPolarHBondContact O-CA 3.36Å; I386-V520 HydrophobicContact CD1-CG1 3.71Å; I386-V520 HydrophobicContact CG1-CG1 4.48Å; L398-V520 HydrophobicContact CD2-CG1 3.99Å; L490-V520 HydrophobicContact CD1-CG2 3.8Å; T491-V520 PolarHBondContact O-N 3.43Å; F492-V520 CarbonylContact C-O 3.5Å; F492-V520 VanDerWaalsContact CA-O 3.28Å; F492-V520 WeakPolarHBondContact CA-O 3.34Å; F492-V520 HydrophobicContact CD1-CB 3.59Å; F492-V520 HydrophobicContact CD1-CG1 3.72Å; F492-V520 HydrophobicContact CD1-CG2 4.2Å; F492-V520 HydrophobicContact CE1-CB 3.87Å; F492-V520 HydrophobicContact CE1-CG1 3.95Å; F492-V520 HydrophobicContact CE1-CG2 3.98Å; L493-V520 PolarHBondContact N-O 3.17Å
521S90.1Very high86.4Confident0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-114.9145.1-177.473.80000112.4L384 L385 I386 L493 Y509 H532L384-S521 PolarHBondContact O-N 2.88Å; L385-S521 CarbonylContact C-O 3.56Å; L385-S521 WeakPolarHBondContact CD1-OG 3.29Å; I386-S521 PolarHBondContact N-O 3.29Å; L493-S521 CarbonylContact O-C 3.52Å; L493-S521 VanDerWaalsContact O-CA 3.28Å; L493-S521 WeakPolarHBondContact O-CA 3.46Å; Y509-S521 WeakPolarHBondContact OH-CB 3.32Å; S521-H532 PolarHBondContact OG-CE1 3.47Å; S521-H532 PolarHBondContact OG-NE2 3.39Å
522V89Confident86.6Confident2 Ų237.2 Ų37.21%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-100.3126164.3172.50000107.5I386 K394 L398 L493 D494 E495I386-V522 HydrophobicContact CB-CG2 3.77Å; I386-V522 HydrophobicContact CD1-CG2 4.14Å; I386-V522 HydrophobicContact CG2-CG2 3.92Å; I386-V522 WeakPolarHBondContact O-CA 3.45Å; K394-V522 HydrophobicContact CB-CG1 3.98Å; K394-V522 HydrophobicContact CB-CG2 4.14Å; K394-V522 HydrophobicContact CD-CG1 3.9Å; L398-V522 HydrophobicContact CD1-CB 4.32Å; L398-V522 HydrophobicContact CD1-CG2 3.41Å; L398-V522 VanDerWaalsContact CD1-CG2 3.41Å; L398-V522 HydrophobicContact CD2-CG2 4.47Å; L398-V522 HydrophobicContact CG-CG2 3.88Å; L493-V522 PolarHBondContact O-N 3.03Å; D494-V522 WeakPolarHBondContact OD1-CB 3.36Å; E495-V522 HydrophobicContact CG-CG1 4.17Å; E495-V522 PolarHBondContact N-O 3.16Å
523G84.7Confident86.7Confident9 Ų938.8 Ų38.89%0.09321%0.206CC..  trans-169.8164.6176.500000114.7I386 T387I386-G523 PolarHBondContact O-N 3.32Å; T387-G523 WeakPolarHBondContact CG2-O 3.48Å
524H82.5Confident86.8Confident107 Ų10737.4 Ų37.450%0.49520%0.198SC..  trans-115-12.3-177.1-65.4-47.6000113.7G388 K394 E495G388-H524 PolarHBondContact O-CE1 2.95Å; K394-H524 PolarHBondContact NZ-CE1 2.82Å; K394-H524 VanDerWaalsContact NZ-CE1 3.27Å; K394-H524 PolarHBondContact NZ-NE2 2.86Å; K394-H524 VanDerWaalsContact NZ-NE2 3.15Å; E495-H524 IonicContact OE1-CD2 3.43Å; E495-H524 IonicContact OE1-NE2 3.94Å
525R81.1Confident86.9Confident81 Ų8134.2 Ų34.231%0.30618%0.175SC..  trans-75.1141.8-175.9-67.4177173-172.4-4.4110.9T497 S498 M500 E505 S527 I528T497-R525 PolarHBondContact O-NH1 3.03Å; T497-R525 VanDerWaalsContact O-NH1 3.17Å; S498-R525 PolarHBondContact O-NH2 2.95Å; M500-R525 PolarHBondContact O-NH1 3.05Å; M500-R525 PolarHBondContact O-NH2 2.83Å; E505-R525 VanDerWaalsContact OE1-CD 3.29Å; E505-R525 WeakPolarHBondContact OE1-CD 3.42Å; E505-R525 IonicContact OE1-CZ 3.33Å; E505-R525 IonicContact OE1-NE 3.38Å; E505-R525 IonicContact OE1-NH1 2.91Å; E505-R525 PolarHBondContact OE1-NH1 3.29Å; E505-R525 IonicContact OE2-NH1 3.94Å; R525-S527 VanDerWaalsContact C-N 3.29Å; R525-S527 WeakPolarHBondContact CB-OG 3.5Å; R525-S527 PolarHBondContact O-N 3.14Å; R525-I528 WeakPolarHBondContact O-CG1 3.04Å
526H82.4Confident87.2Confident147 Ų14731.6 Ų31.668%0.68116%0.16SC*.G310 helixtrans-72-27.5176.9-159.876.7000112.2I528 R529H526-I528 VanDerWaalsContact C-N 3.26Å; H526-I528 PolarHBondContact O-N 3.23Å; H526-R529 WeakPolarHBondContact O-CB 3.49Å; H526-R529 PolarHBondContact O-N 2.97Å
527S83.6Confident87.4Confident32 Ų3232.4 Ų32.422%0.22415%0.151CC..G310 helixtrans-59-31.3179.544.50000113.9E505 R525 Q530E505-S527 WeakPolarHBondContact OE2-CB 3.34Å; E505-S527 PolarHBondContact OE2-OG 3.08Å; R525-S527 VanDerWaalsContact C-N 3.29Å; R525-S527 WeakPolarHBondContact CB-OG 3.5Å; R525-S527 PolarHBondContact O-N 3.14Å; S527-Q530 VanDerWaalsContact O-CG 3.3Å; S527-Q530 WeakPolarHBondContact O-CG 3.35Å; S527-Q530 PolarHBondContact O-NE2 3.01Å
528I86.7Confident87.4Confident4 Ų432.6 Ų32.62%0.02115%0.152CC..G310 helixtrans-82.3-18.2-177.859.9170.6000113L385 E505 Y509 R525 H526 Q530 F531 H532L385-I528 HydrophobicContact CD1-CD1 3.48Å; L385-I528 VanDerWaalsContact CD1-CD1 3.48Å; L385-I528 HydrophobicContact CD1-CG1 4.13Å; E505-I528 VanDerWaalsContact CD-CG2 3.43Å; E505-I528 HydrophobicContact CG-CG2 3.85Å; Y509-I528 HydrophobicContact CD2-CG2 4.18Å; Y509-I528 HydrophobicContact CE2-CB 4.37Å; Y509-I528 HydrophobicContact CE2-CG2 3.55Å; R525-I528 WeakPolarHBondContact O-CG1 3.04Å; H526-I528 VanDerWaalsContact C-N 3.26Å; H526-I528 PolarHBondContact O-N 3.23Å; I528-Q530 PolarHBondContact O-N 3.47Å; I528-F531 PolarHBondContact O-N 3.45Å; I528-H532 PolarHBondContact O-ND1 2.92Å
529R88.2Confident87Confident89 Ų8935.2 Ų35.234%0.33617%0.168SC..G310 helixtrans-59.5-31.4-179.3-73.5-175.9168.7-171.5-6.3112.9L385 H526 F531 H532 E535L385-R529 HydrophobicContact CD2-CG 3.6Å; H526-R529 WeakPolarHBondContact O-CB 3.49Å; H526-R529 PolarHBondContact O-N 2.97Å; R529-F531 PolarHBondContact O-N 3.46Å; R529-H532 PolarHBondContact O-N 3.02Å; R529-E535 IonicContact CZ-OE1 2.83Å; R529-E535 IonicContact CZ-OE2 2.71Å; R529-E535 IonicContact NE-OE1 3.79Å; R529-E535 IonicContact NE-OE2 3.83Å; R529-E535 IonicContact NH2-OE1 2.67Å; R529-E535 PolarHBondContact NH2-OE1 3.15Å; R529-E535 IonicContact NH2-OE2 3.48Å; R529-E535 PolarHBondContact NH2-OE2 3.43Å
530Q88.1Confident86.1Confident63 Ų6336.5 Ų36.529%0.29418%0.181SC..G310 helixtrans-66.2-15178.573.4-167.2-23.300114.3S527 I528 I554S527-Q530 VanDerWaalsContact O-CG 3.3Å; S527-Q530 WeakPolarHBondContact O-CG 3.35Å; S527-Q530 PolarHBondContact O-NE2 3.01Å; I528-Q530 PolarHBondContact O-N 3.47Å; Q530-I554 HydrophobicContact CG-CD1 4.48Å
531F89.2Confident85.2Confident13 Ų1343.2 Ų43.26%0.05722%0.217CC..G310 helixtrans-101.11-179.6-56.9-63000113.4H383 T506 Y509 K510 L513 I528 R529H383-F531 WeakPolarHBondContact CB-O 3.35Å; T506-F531 HydrophobicContact CG2-CZ 3.75Å; Y509-F531 HydrophobicContact CD1-CB 3.93Å; Y509-F531 HydrophobicContact CD1-CD2 4.09Å; Y509-F531 HydrophobicContact CD1-CG 4.19Å; Y509-F531 HydrophobicContact CD2-CD2 4.14Å; Y509-F531 HydrophobicContact CD2-CE2 4.39Å; Y509-F531 HydrophobicContact CG-CB 4.28Å; Y509-F531 AromaticContact CG-CD2 3.63Å; Y509-F531 HydrophobicContact CG-CD2 3.63Å; Y509-F531 HydrophobicContact CG-CE2 4.13Å; Y509-F531 HydrophobicContact CG-CG 4.02Å; K510-F531 HydrophobicContact CG-CE1 3.82Å; K510-F531 HydrophobicContact CG-CZ 4.33Å; L513-F531 HydrophobicContact CD1-CB 4.13Å; L513-F531 HydrophobicContact CD1-CD1 3.62Å; L513-F531 HydrophobicContact CD1-CG 4.29Å; I528-F531 PolarHBondContact O-N 3.45Å; R529-F531 PolarHBondContact O-N 3.46Å
532H90.9Very high84.1Confident6 Ų644 Ų443%0.02823%0.225CC..  trans-118.8144.7-176.7-6287.5000110.9H383 L384 L385 Y509 S521 I528 R529 L549H383-H532 HydrophobicContact CB-CB 4.49Å; L384-H532 PolarHBondContact O-CD2 2.86Å; L384-H532 VanDerWaalsContact O-CD2 3.26Å; L385-H532 HydrophobicContact CB-CB 3.79Å; Y509-H532 AromaticContact CE1-CE1 3.56Å; Y509-H532 AromaticContact CE1-NE2 3.98Å; S521-H532 PolarHBondContact OG-CE1 3.47Å; S521-H532 PolarHBondContact OG-NE2 3.39Å; I528-H532 PolarHBondContact O-ND1 2.92Å; R529-H532 PolarHBondContact O-N 3.02Å; H532-L549 HydrophobicContact CB-CD1 3.82Å; H532-L549 WeakPolarHBondContact O-CB 3.5Å
533D89.4Confident83.4Confident35 Ų3550.2 Ų50.219%0.18725%0.254CS..SBendtrans-93.4-26.4177.3-57.2-81.3000111.7R382 H383 L549 K553R382-D533 HydrophobicContact CG-CB 4.08Å; H383-D533 IonicContact CD2-OD2 3.72Å; H383-D533 PolarHBondContact CD2-OD2 2.72Å; H383-D533 IonicContact CG-OD2 2.95Å; H383-D533 PolarHBondContact N-OD2 3.43Å; H383-D533 PolarHBondContact O-N 3.2Å; D533-L549 PolarHBondContact O-N 3.44Å; D533-K553 VanDerWaalsContact OD1-CE 3.3Å; D533-K553 WeakPolarHBondContact OD1-CE 3.35Å; D533-K553 IonicContact OD1-NZ 3.94Å; D533-K553 PolarHBondContact OD1-NZ 3.03Å
534V89.9Confident83.1Confident9 Ų953.2 Ų53.26%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-133.5138.1-176.3-176.60000110.2R382 H383 L384 L385 V546R382-V534 HydrophobicContact CG-CG2 4.16Å; H383-V534 PolarHBondContact O-N 3.38Å; H383-V534 VanDerWaalsContact O-N 3.13Å; L384-V534 HydrophobicContact CD1-CB 3.89Å; L384-V534 HydrophobicContact CD1-CG1 3.75Å; L385-V534 PolarHBondContact N-O 2.94Å; V534-V546 HydrophobicContact CG1-CG1 3.47Å; V534-V546 VanDerWaalsContact CG1-CG1 3.47Å
535E90.4Very high83.2Confident16 Ų1650.9 Ų50.98%0.07526%0.258CS..EExtended strand (participates in β ladder)trans-109.4119.8169.6-173.6170.5-170.100109.9L385 T387 R529 V546 A547 L549L385-E535 HydrophobicContact CD2-CG 4.41Å; L385-E535 CarbonylContact O-C 3.59Å; L385-E535 VanDerWaalsContact O-CA 3.31Å; L385-E535 WeakPolarHBondContact O-CA 3.23Å; T387-E535 WeakPolarHBondContact CB-OE1 3.16Å; T387-E535 HydrophobicContact CG2-CG 4.01Å; T387-E535 WeakPolarHBondContact CG2-OE1 3.17Å; T387-E535 PolarHBondContact OG1-OE1 2.89Å; R529-E535 IonicContact CZ-OE1 2.83Å; R529-E535 IonicContact CZ-OE2 2.71Å; R529-E535 IonicContact NE-OE1 3.79Å; R529-E535 IonicContact NE-OE2 3.83Å; R529-E535 IonicContact NH2-OE1 2.67Å; R529-E535 PolarHBondContact NH2-OE1 3.15Å; R529-E535 IonicContact NH2-OE2 3.48Å; R529-E535 PolarHBondContact NH2-OE2 3.43Å; E535-V546 CarbonylContact O-C 3.17Å; E535-V546 WeakPolarHBondContact O-CA 3.46Å; E535-A547 PolarHBondContact N-O 2.97Å; E535-A547 PolarHBondContact O-N 3.31Å; E535-L549 HydrophobicContact CB-CD1 4.03Å; E535-L549 HydrophobicContact CB-CD2 4.22Å; E535-L549 HydrophobicContact CB-CG 4.04Å
536L89Confident83.4Confident0 Ų050.7 Ų50.70%027%0.266CS..EExtended strand (participates in β ladder)trans-98.2107.2167.417666.1000108.7L374 I376 L384 L385 I386 T387 F397 F538 Y544 V546L374-L536 HydrophobicContact CD2-CD1 3.97Å; L374-L536 HydrophobicContact CD2-CD2 4.23Å; I376-L536 HydrophobicContact CD1-CD2 4.22Å; L384-L536 HydrophobicContact CD1-CB 3.95Å; L385-L536 PolarHBondContact O-N 3.42Å; I386-L536 CarbonylContact C-O 3.54Å; I386-L536 WeakPolarHBondContact CA-O 3.31Å; I386-L536 HydrophobicContact CG1-CD2 4.42Å; T387-L536 PolarHBondContact N-O 2.84Å; F397-L536 HydrophobicContact CE1-CD2 3.95Å; F397-L536 HydrophobicContact CZ-CD2 4.2Å; L536-F538 HydrophobicContact CD2-CE2 3.71Å; L536-F538 HydrophobicContact CD2-CZ 3.96Å; L536-F538 HydrophobicContact CG-CD2 4.45Å; L536-F538 HydrophobicContact CG-CE2 3.94Å; L536-F538 HydrophobicContact CG-CZ 4.46Å; L536-Y544 HydrophobicContact CD1-CD2 3.48Å; L536-Y544 VanDerWaalsContact CD1-CD2 3.48Å; L536-Y544 HydrophobicContact CD1-CE2 4.32Å; L536-Y544 HydrophobicContact CD1-CG 4.03Å; L536-V546 HydrophobicContact CD1-CG2 3.79Å
537H88.7Confident83.7Confident66 Ų6645.9 Ų45.931%0.30625%0.252SS..EExtended strand (participates in β ladder)trans-102119.4-178.7-174.968.4000111.4T387 Y544 S545T387-H537 CarbonylContact O-C 3.55Å; T387-H537 WeakPolarHBondContact O-CA 3.28Å; T387-H537 PolarHBondContact OG1-ND1 3.3Å; H537-Y544 CarbonylContact O-C 3.57Å; H537-Y544 VanDerWaalsContact O-CA 3.27Å; H537-Y544 WeakPolarHBondContact O-CA 3.41Å; H537-S545 WeakPolarHBondContact CB-OG 3.24Å; H537-S545 PolarHBondContact N-O 3.34Å; H537-S545 PolarHBondContact O-N 3.12Å
538F84.6Confident83.7Confident5 Ų550.9 Ų50.92%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-86.2119.7173-73.4-91.8000110.3L372 L374 I386 T387 G388 C392 K394 F397 L536L372-F538 HydrophobicContact CD1-CD1 4.25Å; L372-F538 HydrophobicContact CD1-CE1 3.68Å; L372-F538 HydrophobicContact CD2-CD1 4.03Å; L372-F538 HydrophobicContact CD2-CE1 3.77Å; L372-F538 HydrophobicContact CG-CE1 4.38Å; L374-F538 HydrophobicContact CD1-CE1 3.99Å; L374-F538 HydrophobicContact CD1-CZ 4.05Å; I386-F538 HydrophobicContact CG2-CD2 3.78Å; I386-F538 HydrophobicContact CG2-CE2 3.59Å; T387-F538 PolarHBondContact O-N 3.36Å; G388-F538 VanDerWaalsContact CA-O 3.23Å; G388-F538 WeakPolarHBondContact CA-O 3.37Å; C392-F538 HydrophobicContact CB-CB 4.12Å; C392-F538 VanDerWaalsContact SG-CB 3.53Å; K394-F538 HydrophobicContact CG-CD2 4.38Å; F397-F538 HydrophobicContact CB-CZ 4.1Å; F397-F538 HydrophobicContact CD1-CE2 4.34Å; F397-F538 HydrophobicContact CD1-CZ 4.07Å; F397-F538 HydrophobicContact CD2-CZ 4.22Å; F397-F538 AromaticContact CG-CZ 3.88Å; F397-F538 HydrophobicContact CG-CZ 3.88Å; L536-F538 HydrophobicContact CD2-CE2 3.71Å; L536-F538 HydrophobicContact CD2-CZ 3.96Å; L536-F538 HydrophobicContact CG-CD2 4.45Å; L536-F538 HydrophobicContact CG-CE2 3.94Å; L536-F538 HydrophobicContact CG-CZ 4.46Å
539T79.4Confident83.5Confident56 Ų5652.9 Ų52.934%0.34428%0.282SS..  trans-78.5-21.8-177.760.30000113.5H543T539-H543 PolarHBondContact N-O 2.99Å; T539-H543 WeakPolarHBondContact OG1-CB 3.19Å; T539-H543 PolarHBondContact OG1-O 3.01Å
540G71.4Confident82Confident26 Ų2653.5 Ų53.527%0.26830%0.3SS..SBendtrans100.5-20.7-177.300000114.3G542G540-G542 PolarHBondContact O-N 2.92Å
541D69.7Low80.1Confident141 Ų14155.4 Ų55.475%0.75433%0.327SS*.SBendtrans-97.823.9-176.7-60.7-23.3000112.8H543D541-H543 PolarHBondContact O-N 2.93Å
542G67Low77.8Confident16 Ų1658.4 Ų58.417%0.16535%0.349CS..SBendtrans78.5-1.2-172.800000114.5L372 G540L372-G542 WeakPolarHBondContact CD2-O 3.26Å; G540-G542 PolarHBondContact O-N 2.92Å
543H73.7Confident75.6Confident134 Ų13465.9 Ų65.962%0.6238%0.382SS*.  trans-97.2148.5173.7-62.1-60000112.2T539 D541T539-H543 PolarHBondContact N-O 2.99Å; T539-H543 WeakPolarHBondContact OG1-CB 3.19Å; T539-H543 PolarHBondContact OG1-O 3.01Å; D541-H543 PolarHBondContact O-N 2.93Å
544Y79.5Confident73.3Confident72 Ų7268 Ų6828%0.28239%0.392SS..EExtended strand (participates in β ladder)trans-126.4152.9173.269.9-86000110.4L372 D373 L374 T375 L536 H537 V546L372-Y544 HydrophobicContact CD2-CD1 3.79Å; L372-Y544 HydrophobicContact CD2-CG 4.36Å; D373-Y544 PolarHBondContact O-OH 3.39Å; L374-Y544 HydrophobicContact CB-CE1 4.34Å; L374-Y544 HydrophobicContact CD2-CD1 3.57Å; L374-Y544 HydrophobicContact CD2-CD2 3.62Å; L374-Y544 HydrophobicContact CD2-CE1 3.62Å; L374-Y544 HydrophobicContact CD2-CE2 3.66Å; L374-Y544 HydrophobicContact CD2-CG 3.57Å; L374-Y544 HydrophobicContact CG-CD1 3.72Å; L374-Y544 HydrophobicContact CG-CE1 3.7Å; L374-Y544 HydrophobicContact CG-CG 4.19Å; T375-Y544 PolarHBondContact N-OH 3.41Å; L536-Y544 HydrophobicContact CD1-CD2 3.48Å; L536-Y544 VanDerWaalsContact CD1-CD2 3.48Å; L536-Y544 HydrophobicContact CD1-CE2 4.32Å; L536-Y544 HydrophobicContact CD1-CG 4.03Å; H537-Y544 CarbonylContact O-C 3.57Å; H537-Y544 VanDerWaalsContact O-CA 3.27Å; H537-Y544 WeakPolarHBondContact O-CA 3.41Å; Y544-V546 HydrophobicContact CD2-CG2 3.79Å; Y544-V546 HydrophobicContact CE2-CG2 3.74Å
545S85Confident70.6Confident58 Ų5879 Ų7941%0.40643%0.433SS..EExtended strand (participates in β ladder)trans-124.6134169.262.60000109.7H537H537-S545 WeakPolarHBondContact CB-OG 3.24Å; H537-S545 PolarHBondContact N-O 3.34Å; H537-S545 PolarHBondContact O-N 3.12Å
546V85.3Confident67.9Low77 Ų7786.5 Ų86.547%0.46747%0.472SS..EExtended strand (participates in β ladder)trans-104.3125.6174.7-175.10000108.4V534 E535 L536 Y544V534-V546 HydrophobicContact CG1-CG1 3.47Å; V534-V546 VanDerWaalsContact CG1-CG1 3.47Å; E535-V546 CarbonylContact O-C 3.17Å; E535-V546 WeakPolarHBondContact O-CA 3.46Å; L536-V546 HydrophobicContact CD1-CG2 3.79Å; Y544-V546 HydrophobicContact CD2-CG2 3.79Å; Y544-V546 HydrophobicContact CE2-CG2 3.74Å
547A87.1Confident66.9Low46 Ų4690.9 Ų90.938%0.3850%0.496SS..EExtended strand (participates in β ladder)trans-122.7135175.500000110.1E535E535-A547 PolarHBondContact N-O 2.97Å; E535-A547 PolarHBondContact O-N 3.31Å
548E85Confident65.7Low137 Ų13792.2 Ų92.264%0.6451%0.506SS*.EExtended strand (participates in β ladder)trans-77.9125.5168.4-69.6-165.4161.400109.6R382 S550R382-E548 IonicContact CZ-OE1 3.01Å; R382-E548 IonicContact NH2-OE1 3.81Å; R382-E548 PolarHBondContact NH2-OE1 3.08Å; E548-S550 PolarHBondContact O-N 3.46Å
549L82.9Confident64.7Low45 Ų4597 Ų9724%0.23653%0.533CS..  trans-8171.9175.5-68.3168.6000108.6H532 D533 E535H532-L549 HydrophobicContact CB-CD1 3.82Å; H532-L549 WeakPolarHBondContact O-CB 3.5Å; D533-L549 PolarHBondContact O-N 3.44Å; E535-L549 HydrophobicContact CB-CD1 4.03Å; E535-L549 HydrophobicContact CB-CD2 4.22Å; E535-L549 HydrophobicContact CB-CG 4.04Å
550S56.4Low63.8Low103 Ų10399.4 Ų99.472%0.7254%0.544SS*.  trans-80130.7174.567.50000110.8E548E548-S550 PolarHBondContact O-N 3.46Å
551A48.3Very low63.4Low103 Ų103104 Ų10485%0.85156%0.561SS**SBendtrans98.938.6159.700000121
552S39.8Very low62.9Low75 Ų75101.5 Ų101.552%0.52455%0.548SS..  trans-145.238155.861.90000114.3I554S552-I554 PolarHBondContact O-N 3.47Å
553K44.6Very low62.6Low164 Ų164107.6 Ų107.671%0.71358%0.576SS**  trans-61.3104.5173.5-76.3-169.6176.8-169.60109.8D533 R555D533-K553 VanDerWaalsContact OD1-CE 3.3Å; D533-K553 WeakPolarHBondContact OD1-CE 3.35Å; D533-K553 IonicContact OD1-NZ 3.94Å; D533-K553 PolarHBondContact OD1-NZ 3.03Å; K553-R555 PolarHBondContact O-N 3.16Å; K553-R555 VanDerWaalsContact O-N 3.08Å
554I42.6Very low61.8Low78 Ų78105.6 Ų105.640%0.457%0.572SS.*  trans-57.3111.8158.6-63.9172.4000105.1Q530 S552 L556Q530-I554 HydrophobicContact CG-CD1 4.48Å; S552-I554 PolarHBondContact O-N 3.47Å; I554-L556 PolarHBondContact O-N 2.7Å
555R31.3Very low60.3Low242 Ų242108.4 Ų108.491%0.91360%0.596SS**  trans-61.2108.3162.7-73.4-176.3-179.3179.20105.9K553K553-R555 PolarHBondContact O-N 3.16Å; K553-R555 VanDerWaalsContact O-N 3.08Å
556L35.6Very low58.1Low173 Ų173113 Ų11391%0.90661%0.614SS**  trans-65.30165.9-78.3167.4000109.9K510 I554K510-L556 HydrophobicContact CD-CD2 4.3Å; K510-L556 HydrophobicContact CG-CD2 4.26Å; I554-L556 PolarHBondContact O-N 2.7Å

Retrieved 556 of 556 residues in 341.4 ms (Link to these results)

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