A0A096NPI5_PAPAN Loading...

Sphingomyelin phosphodiesterase 3

AlphaFold DB (F7D3F4), UniProt , Accession A0A096NPI5, Species PAPAN (Papio anubis, Olive baboon), Gene SMPD3, Length 655 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
1M64Low87.8Confident128 Ų12870.7 Ų70.763%0.63141%0.408SS*.  0158.90-176.8174.9-176.800110.3D417 V418M1-D417 WeakPolarHBondContact CB-OD1 3.44Å; M1-D417 HydrophobicContact SD-CB 4.19Å; M1-V418 HydrophobicContact CE-CG1 4.21Å; M1-V418 WeakPolarHBondContact CE-O 3.31Å; M1-V418 HydrophobicContact SD-CG1 4.5Å
2V79.5Confident88.4Confident109 Ų10973 Ų7366%0.66143%0.43SS*.  trans-101.4119173.8178.90000109.4
3L88.9Confident88.8Confident35 Ų3570.4 Ų70.418%0.18341%0.412CS..  trans-79131.1174.6-63.3177.4000111T5 Y97 I415 V418L3-T5 PolarHBondContact O-N 2.74Å; L3-Y97 HydrophobicContact CB-CD1 3.77Å; L3-Y97 HydrophobicContact CB-CE1 4.29Å; L3-Y97 HydrophobicContact CB-CG 3.96Å; L3-Y97 HydrophobicContact CD1-CD1 4.02Å; L3-Y97 HydrophobicContact CD1-CD2 4.01Å; L3-Y97 HydrophobicContact CD1-CE1 3.85Å; L3-Y97 HydrophobicContact CD1-CE2 3.85Å; L3-Y97 HydrophobicContact CD1-CG 4.07Å; L3-I415 HydrophobicContact CD1-CB 4.44Å; L3-I415 WeakPolarHBondContact CD1-O 3.27Å; L3-V418 HydrophobicContact CD2-CG1 3.5Å
4Y90.2Very high89.1Confident68 Ų6867.5 Ų67.527%0.26740%0.398SS..  trans-84.7111.5-175.1-59.1-47.5000112.8R93 P94 Y95 I96 Y97Y4-R93 HydrophobicContact CD1-CG 4.12Å; Y4-R93 HydrophobicContact CD2-CB 3.9Å; Y4-R93 HydrophobicContact CD2-CG 4.05Å; Y4-R93 HydrophobicContact CE1-CG 4.44Å; Y4-R93 HydrophobicContact CE2-CB 4.46Å; Y4-R93 HydrophobicContact CE2-CG 4.38Å; Y4-R93 HydrophobicContact CG-CB 4.06Å; Y4-R93 HydrophobicContact CG-CG 3.92Å; Y4-P94 HydrophobicContact CE2-CG 4.33Å; Y4-Y95 HydrophobicContact CD2-CD1 4.48Å; Y4-Y95 HydrophobicContact CD2-CD2 4.41Å; Y4-Y95 AromaticContact CD2-CE1 3.84Å; Y4-Y95 HydrophobicContact CD2-CE1 3.84Å; Y4-Y95 AromaticContact CD2-CE2 3.79Å; Y4-Y95 HydrophobicContact CD2-CE2 3.79Å; Y4-Y95 AromaticContact CD2-CZ 3.44Å; Y4-Y95 VanDerWaalsContact CD2-CZ 3.44Å; Y4-Y95 WeakPolarHBondContact CD2-OH 3.42Å; Y4-Y95 HydrophobicContact CE2-CE1 4.1Å; Y4-Y95 AromaticContact CE2-CZ 3.93Å; Y4-Y95 HydrophobicContact CG-CE2 4.29Å; Y4-I96 CarbonylContact O-C 3.49Å; Y4-I96 WeakPolarHBondContact O-CA 3.17Å; Y4-Y97 WeakPolarHBondContact O-CB 3.34Å; Y4-Y97 PolarHBondContact O-N 3.12Å
5T91.2Very high89.5Confident95 Ų9566.7 Ų66.758%0.58340%0.402SS*.SBendtrans-86.9-12.5177.254.70000114.3L3 I96 Y97L3-T5 PolarHBondContact O-N 2.74Å; T5-I96 WeakPolarHBondContact O-CG2 3.47Å; T5-Y97 WeakPolarHBondContact CA-O 3.19Å; T5-Y97 HydrophobicContact CG2-CD1 4.02Å
6T91.2Very high89.9Confident58 Ų5866.7 Ų66.736%0.35640%0.399SS..SBendtrans-128.5146.2179.259.10000110.4F8 R93T6-F8 PolarHBondContact O-N 3.33Å; T6-F8 PolarHBondContact OG1-O 2.96Å; T6-R93 WeakPolarHBondContact O-CD 3.12Å; T6-R93 PolarHBondContact O-NH1 3.17Å; T6-R93 PolarHBondContact OG1-NH1 3.33Å
7P90.8Very high90.1Very high28 Ų2864.1 Ų64.118%0.18238%0.381CS..SBendtrans-67.9-20.9-179.624.1-32000113.8R93 I96P7-R93 PolarHBondContact O-N 2.71Å; P7-I96 HydrophobicContact CB-CD1 3.96Å; P7-I96 HydrophobicContact CB-CG1 4.21Å; P7-I96 HydrophobicContact CG-CD1 4.18Å
8F93.5Very high90.4Very high1 Ų165.3 Ų65.30%0.00439%0.392CS..SBendtrans-127.4154.5179.7-60.9-76.3000111.1T6 N10 L13 H17 L88 R92T6-F8 PolarHBondContact O-N 3.33Å; T6-F8 PolarHBondContact OG1-O 2.96Å; F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.38Å; F8-L13 HydrophobicContact CB-CB 3.83Å; F8-L13 HydrophobicContact CD1-CB 4.11Å; F8-L13 HydrophobicContact CG-CB 3.97Å; F8-H17 HydrophobicContact CD2-CB 4.29Å; F8-H17 HydrophobicContact CE2-CB 3.41Å; F8-H17 VanDerWaalsContact CE2-CB 3.41Å; F8-H17 AromaticContact CE2-CD2 3.71Å; F8-H17 AromaticContact CE2-CG 3.4Å; F8-H17 VanDerWaalsContact CE2-CG 3.4Å; F8-H17 AromaticContact CE2-ND1 3.86Å; F8-H17 HydrophobicContact CZ-CB 3.79Å; F8-H17 AromaticContact CZ-CG 3.65Å; F8-H17 AromaticContact CZ-ND1 3.61Å; F8-L88 HydrophobicContact CE1-CB 4.16Å; F8-L88 WeakPolarHBondContact CE1-O 3.45Å; F8-L88 HydrophobicContact CZ-CB 4.39Å; F8-R92 HydrophobicContact CD1-CB 4.48Å; F8-R92 HydrophobicContact CE1-CB 3.9Å; F8-R92 HydrophobicContact CE1-CG 4.07Å; F8-R92 VanDerWaalsContact CE2-NH1 3.29Å; F8-R92 HydrophobicContact CZ-CB 4.5Å; F8-R92 HydrophobicContact CZ-CG 4.27Å
9P91.1Very high90.7Very high76 Ų7665.9 Ų65.949%0.49440%0.396SS..SBendtrans-69.7-20.5-178.826.8-35.1000114.2L13 A91P9-L13 HydrophobicContact CG-CD1 3.94Å; P9-A91 WeakPolarHBondContact CD-O 3.32Å
10N92.4Very high90.9Very high76 Ų7662.7 Ų62.741%0.40638%0.377SS..SBendtrans-140.3161.3178.967.556.3000112.6F8 C12 L13 S14F8-N10 VanDerWaalsContact C-N 3.28Å; F8-N10 PolarHBondContact O-N 3.38Å; N10-C12 VanDerWaalsContact C-N 3.32Å; N10-C12 PolarHBondContact O-N 3.11Å; N10-C12 WeakPolarHBondContact OD1-CB 3.47Å; N10-C12 PolarHBondContact OD1-N 3.38Å; N10-L13 VanDerWaalsContact OD1-CG 3.29Å; N10-L13 WeakPolarHBondContact OD1-CG 3.5Å; N10-L13 PolarHBondContact OD1-N 3.49Å; N10-S14 PolarHBondContact O-N 3.05Å; N10-S14 PolarHBondContact O-OG 3.18Å; N10-S14 VanDerWaalsContact O-OG 3.11Å
11S93Very high91.1Very high104 Ų10463.5 Ų63.573%0.72737%0.373SS*.Hα-helixtrans-69.7-27.1-177.2-52.60000113.4S14 A15S11-S14 PolarHBondContact O-N 3.4Å; S11-A15 WeakPolarHBondContact O-CB 3.42Å; S11-A15 PolarHBondContact O-N 3.17Å
12C94.6Very high92.6Very high98 Ų9860.8 Ų60.866%0.66237%0.371SS*.Hα-helixtrans-65.2-48.9178.3-179.70000111.2N10 S14 A15 L16N10-C12 VanDerWaalsContact C-N 3.32Å; N10-C12 PolarHBondContact O-N 3.11Å; N10-C12 WeakPolarHBondContact OD1-CB 3.47Å; N10-C12 PolarHBondContact OD1-N 3.38Å; C12-S14 VanDerWaalsContact C-N 3.27Å; C12-S14 PolarHBondContact O-N 2.85Å; C12-A15 PolarHBondContact O-N 3.15Å; C12-L16 PolarHBondContact O-N 3.42Å
13L94.8Very high93.4Very high39 Ų3957.5 Ų57.520%0.20435%0.35CS..Hα-helixtrans-61.7-37.7175.1-65.7174.8000111.4F8 P9 N10 L16 H17 L88 A91F8-L13 HydrophobicContact CB-CB 3.83Å; F8-L13 HydrophobicContact CD1-CB 4.11Å; F8-L13 HydrophobicContact CG-CB 3.97Å; P9-L13 HydrophobicContact CG-CD1 3.94Å; N10-L13 VanDerWaalsContact OD1-CG 3.29Å; N10-L13 WeakPolarHBondContact OD1-CG 3.5Å; N10-L13 PolarHBondContact OD1-N 3.49Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-H17 WeakPolarHBondContact O-CB 3.33Å; L13-H17 PolarHBondContact O-N 3.34Å; L13-L88 HydrophobicContact CB-CD2 4.13Å; L13-L88 HydrophobicContact CD2-CD2 3.48Å; L13-L88 VanDerWaalsContact CD2-CD2 3.48Å; L13-L88 HydrophobicContact CG-CD2 4.37Å; L13-A91 HydrophobicContact CD1-CB 4.14Å
14S92.8Very high93.7Very high30 Ų3057 Ų5721%0.2135%0.347CS..Hα-helixtrans-63.8-44.3174.9-57.90000111.9N10 S11 C12 H17 C18N10-S14 PolarHBondContact O-N 3.05Å; N10-S14 PolarHBondContact O-OG 3.18Å; N10-S14 VanDerWaalsContact O-OG 3.11Å; S11-S14 PolarHBondContact O-N 3.4Å; C12-S14 VanDerWaalsContact C-N 3.27Å; C12-S14 PolarHBondContact O-N 2.85Å; S14-H17 WeakPolarHBondContact O-CB 3.3Å; S14-H17 PolarHBondContact O-N 3.41Å; S14-C18 PolarHBondContact O-N 3.4Å; S14-C18 PolarHBondContact O-SG 3Å
15A94.8Very high94Very high56 Ų5656 Ų5646%0.46334%0.344SS..Hα-helixtrans-64.8-43.3176.500000111.7S11 C12 H17 C18 V19S11-A15 WeakPolarHBondContact O-CB 3.42Å; S11-A15 PolarHBondContact O-N 3.17Å; C12-A15 PolarHBondContact O-N 3.15Å; A15-H17 VanDerWaalsContact C-N 3.3Å; A15-H17 PolarHBondContact O-N 2.85Å; A15-C18 WeakPolarHBondContact O-CB 3.2Å; A15-C18 PolarHBondContact O-N 3.27Å; A15-V19 WeakPolarHBondContact O-CG2 3Å; A15-V19 PolarHBondContact O-N 3.12Å
16L95.8Very high94.2Very high66 Ų6654.2 Ų54.235%0.34633%0.334SS..Hα-helixtrans-62.5-39.1176.2-171.961000111.2C12 L13 V19 S20 F84 L88C12-L16 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 3.15Å; L16-V19 PolarHBondContact O-N 3.5Å; L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 3.16Å; L16-S20 PolarHBondContact O-OG 3.03Å; L16-F84 HydrophobicContact CD1-CB 4.41Å; L16-F84 HydrophobicContact CD1-CG 4.34Å; L16-L88 HydrophobicContact CB-CD1 4.17Å; L16-L88 HydrophobicContact CD2-CD1 4.25Å; L16-L88 HydrophobicContact CD2-CD2 4.12Å; L16-L88 HydrophobicContact CD2-CG 4.36Å; L16-L88 HydrophobicContact CG-CD1 3.97Å
17H93.9Very high94.4Very high23 Ų2352 Ų5211%0.10632%0.321CS..Hα-helixtrans-61.4-43.6173.4-175.973.2000112.4F8 L13 S14 A15 S20 W21 W85 L88F8-H17 HydrophobicContact CD2-CB 4.29Å; F8-H17 HydrophobicContact CE2-CB 3.41Å; F8-H17 VanDerWaalsContact CE2-CB 3.41Å; F8-H17 AromaticContact CE2-CD2 3.71Å; F8-H17 AromaticContact CE2-CG 3.4Å; F8-H17 VanDerWaalsContact CE2-CG 3.4Å; F8-H17 AromaticContact CE2-ND1 3.86Å; F8-H17 HydrophobicContact CZ-CB 3.79Å; F8-H17 AromaticContact CZ-CG 3.65Å; F8-H17 AromaticContact CZ-ND1 3.61Å; L13-H17 WeakPolarHBondContact O-CB 3.33Å; L13-H17 PolarHBondContact O-N 3.34Å; S14-H17 WeakPolarHBondContact O-CB 3.3Å; S14-H17 PolarHBondContact O-N 3.41Å; A15-H17 VanDerWaalsContact C-N 3.3Å; A15-H17 PolarHBondContact O-N 2.85Å; H17-S20 WeakPolarHBondContact O-CB 3.36Å; H17-S20 PolarHBondContact O-N 3.33Å; H17-W21 AromaticContact CD2-CD1 3.84Å; H17-W21 AromaticContact CE1-CD1 3.36Å; H17-W21 AromaticContact CE1-NE1 3.28Å; H17-W21 PolarHBondContact CE1-NE1 2.82Å; H17-W21 VanDerWaalsContact CE1-NE1 3.28Å; H17-W21 AromaticContact ND1-CD1 3.88Å; H17-W21 AromaticContact NE2-CD1 3.33Å; H17-W21 VanDerWaalsContact NE2-CD1 3.33Å; H17-W21 AromaticContact NE2-NE1 3.42Å; H17-W21 PolarHBondContact NE2-NE1 2.68Å; H17-W21 PolarHBondContact O-N 3.47Å; H17-W85 AromaticContact CE1-CD1 3.8Å; H17-W85 AromaticContact CE1-NE1 3.75Å; H17-W85 AromaticContact ND1-CD1 3.81Å; H17-L88 HydrophobicContact CB-CD1 3.93Å
18C94.2Very high94.5Very high85 Ų8554 Ų5457%0.57433%0.325SS*.Hα-helixtrans-61-45175.5-68.50000111.8S14 A15 S20 W21 A22S14-C18 PolarHBondContact O-N 3.4Å; S14-C18 PolarHBondContact O-SG 3Å; A15-C18 WeakPolarHBondContact O-CB 3.2Å; A15-C18 PolarHBondContact O-N 3.27Å; C18-S20 VanDerWaalsContact C-N 3.34Å; C18-W21 PolarHBondContact O-N 3.18Å; C18-A22 WeakPolarHBondContact O-CB 3.34Å; C18-A22 PolarHBondContact O-N 3.37Å
19V96Very high94.6Very high78 Ų7858.5 Ų58.547%0.47334%0.342SS..Hα-helixtrans-61.8-43.9175.6172.70000110.9A15 L16 W21 A22 L23A15-V19 WeakPolarHBondContact O-CG2 3Å; A15-V19 PolarHBondContact O-N 3.12Å; L16-V19 PolarHBondContact O-N 3.5Å; V19-W21 PolarHBondContact O-N 2.95Å; V19-A22 WeakPolarHBondContact O-CB 3.49Å; V19-A22 PolarHBondContact O-N 3.35Å; V19-L23 HydrophobicContact CG1-CD1 4.42Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.2Å; V19-L23 VanDerWaalsContact O-N 3.13Å
20S95.7Very high94.7Very high0 Ų055.5 Ų55.50%032%0.322CS..Hα-helixtrans-58.8-47.2178.3-52.60000111.3L16 H17 C18 L23 I24 G81 F84L16-S20 WeakPolarHBondContact O-CB 3.38Å; L16-S20 PolarHBondContact O-N 3.16Å; L16-S20 PolarHBondContact O-OG 3.03Å; H17-S20 WeakPolarHBondContact O-CB 3.36Å; H17-S20 PolarHBondContact O-N 3.33Å; C18-S20 VanDerWaalsContact C-N 3.34Å; S20-L23 WeakPolarHBondContact O-CB 3.31Å; S20-L23 PolarHBondContact O-N 3.42Å; S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.33Å; S20-G81 WeakPolarHBondContact CB-O 3.28Å; S20-F84 WeakPolarHBondContact OG-CB 3.31Å
21W94.3Very high94.8Very high81 Ų8155.3 Ų55.331%0.30732%0.323SS..Hα-helixtrans-68.6-32.8176.1-92.6111.3000113.2H17 C18 V19 L23 I24 F25 W85H17-W21 AromaticContact CD2-CD1 3.84Å; H17-W21 AromaticContact CE1-CD1 3.36Å; H17-W21 AromaticContact CE1-NE1 3.28Å; H17-W21 PolarHBondContact CE1-NE1 2.82Å; H17-W21 VanDerWaalsContact CE1-NE1 3.28Å; H17-W21 AromaticContact ND1-CD1 3.88Å; H17-W21 AromaticContact NE2-CD1 3.33Å; H17-W21 VanDerWaalsContact NE2-CD1 3.33Å; H17-W21 AromaticContact NE2-NE1 3.42Å; H17-W21 PolarHBondContact NE2-NE1 2.68Å; H17-W21 PolarHBondContact O-N 3.47Å; C18-W21 PolarHBondContact O-N 3.18Å; V19-W21 PolarHBondContact O-N 2.95Å; W21-L23 PolarHBondContact O-N 2.93Å; W21-I24 HydrophobicContact CE3-CB 4.3Å; W21-I24 HydrophobicContact CE3-CG2 4.17Å; W21-I24 HydrophobicContact CZ3-CG2 4.08Å; W21-I24 PolarHBondContact O-N 2.85Å; W21-F25 HydrophobicContact CE3-CB 4.37Å; W21-F25 WeakPolarHBondContact O-CA 3.28Å; W21-F25 WeakPolarHBondContact O-CB 3.42Å; W21-F25 PolarHBondContact O-N 3.11Å; W21-W85 AromaticContact CE2-NE1 3.95Å; W21-W85 AromaticContact NE1-CD1 3.74Å; W21-W85 AromaticContact NE1-NE1 3.49Å
22A96.2Very high94.7Very high71 Ų7151 Ų5159%0.58729%0.292SS*.Hα-helixtrans-60.7-32.6173.600000112C18 V19 P26C18-A22 WeakPolarHBondContact O-CB 3.34Å; C18-A22 PolarHBondContact O-N 3.37Å; V19-A22 WeakPolarHBondContact O-CB 3.49Å; V19-A22 PolarHBondContact O-N 3.35Å; A22-P26 VanDerWaalsContact O-CD 3.28Å; A22-P26 WeakPolarHBondContact O-CD 3.49Å
23L96.9Very high94.6Very high40 Ų4050.3 Ų50.321%0.20928%0.276CS..Hα-helixtrans-80-40.3175.6-65.8172.6000113.2V19 S20 W21 F77 L80 F84V19-L23 HydrophobicContact CG1-CD1 4.42Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 3.2Å; V19-L23 VanDerWaalsContact O-N 3.13Å; S20-L23 WeakPolarHBondContact O-CB 3.31Å; S20-L23 PolarHBondContact O-N 3.42Å; W21-L23 PolarHBondContact O-N 2.93Å; L23-F77 WeakPolarHBondContact CB-O 3.39Å; L23-F77 HydrophobicContact CD2-CB 4.23Å; L23-F77 HydrophobicContact CD2-CD1 4.22Å; L23-L80 HydrophobicContact CD1-CD2 4.37Å; L23-L80 HydrophobicContact CD1-CG 4.33Å; L23-F84 HydrophobicContact CD1-CD2 4.3Å; L23-F84 HydrophobicContact CD1-CE2 4.34Å
24I95.5Very high94.4Very high25 Ų2549.9 Ų49.913%0.12827%0.274CS..Hα-helixtrans-74-40.6-179.6-66.7164.3000111.9S20 W21 C27 Y28 W85S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.33Å; W21-I24 HydrophobicContact CE3-CB 4.3Å; W21-I24 HydrophobicContact CE3-CG2 4.17Å; W21-I24 HydrophobicContact CZ3-CG2 4.08Å; W21-I24 PolarHBondContact O-N 2.85Å; I24-C27 PolarHBondContact O-N 2.65Å; I24-C27 VanDerWaalsContact O-N 3.17Å; I24-Y28 PolarHBondContact O-N 3.4Å; I24-Y28 VanDerWaalsContact O-N 3.09Å; I24-W85 HydrophobicContact CD1-CB 3.69Å; I24-W85 HydrophobicContact CD1-CG 3.95Å
25F94.8Very high94.3Very high46 Ų4650.1 Ų50.120%0.20228%0.277CS..Hα-helixtrans-57.4-43.1-165.5175.7-99.1000114.4W21 C27 Y28 W29 R369W21-F25 HydrophobicContact CE3-CB 4.37Å; W21-F25 WeakPolarHBondContact O-CA 3.28Å; W21-F25 WeakPolarHBondContact O-CB 3.42Å; W21-F25 PolarHBondContact O-N 3.11Å; F25-C27 VanDerWaalsContact C-N 3.33Å; F25-C27 PolarHBondContact O-N 2.88Å; F25-Y28 AromaticContact CD2-CD1 3.99Å; F25-Y28 HydrophobicContact CD2-CD1 3.99Å; F25-Y28 AromaticContact CE2-CD1 3.94Å; F25-Y28 HydrophobicContact CE2-CD1 3.94Å; F25-Y28 HydrophobicContact CE2-CE1 4.34Å; F25-Y28 PolarHBondContact O-N 3.42Å; F25-W29 HydrophobicContact CE1-CB 3.97Å; F25-W29 HydrophobicContact CE1-CG 4.25Å; F25-W29 HydrophobicContact CE2-CB 3.85Å; F25-W29 HydrophobicContact CE2-CG 4.41Å; F25-W29 HydrophobicContact CZ-CB 3.43Å; F25-W29 VanDerWaalsContact CZ-CB 3.43Å; F25-W29 AromaticContact CZ-CD1 3.6Å; F25-W29 AromaticContact CZ-CG 3.66Å; F25-W29 HydrophobicContact CZ-CG 3.66Å; F25-W29 WeakPolarHBondContact O-CB 3.48Å; F25-W29 PolarHBondContact O-N 3.41Å; F25-R369 VanDerWaalsContact CD1-NH2 3.3Å
26P95.8Very high94Very high57 Ų5747.7 Ų47.737%0.3726%0.257SS..Hα-helixtrans-56.5-46178-26.535.8000112.6A22 W29 L30A22-P26 VanDerWaalsContact O-CD 3.28Å; A22-P26 WeakPolarHBondContact O-CD 3.49Å; P26-W29 PolarHBondContact O-N 3.39Å; P26-L30 WeakPolarHBondContact O-CB 3.29Å; P26-L30 WeakPolarHBondContact O-CD1 3.15Å; P26-L30 WeakPolarHBondContact O-CG 3.43Å; P26-L30 PolarHBondContact O-N 3.17Å
27C95.8Very high93.6Very high13 Ų1347 Ų479%0.08826%0.258CS..Hα-helixtrans-64-49177.5-177.80000111.3I24 F25 W29 L30 V31 L71 S74 A78I24-C27 PolarHBondContact O-N 2.65Å; I24-C27 VanDerWaalsContact O-N 3.17Å; F25-C27 VanDerWaalsContact C-N 3.33Å; F25-C27 PolarHBondContact O-N 2.88Å; C27-W29 VanDerWaalsContact C-N 3.32Å; C27-W29 PolarHBondContact O-N 3.42Å; C27-L30 PolarHBondContact O-N 3.18Å; C27-V31 WeakPolarHBondContact O-CG2 3.15Å; C27-V31 PolarHBondContact O-N 3.22Å; C27-L71 VanDerWaalsContact SG-CD1 3.56Å; C27-S74 VanDerWaalsContact CA-OG 3.3Å; C27-S74 WeakPolarHBondContact CA-OG 3.39Å; C27-S74 WeakPolarHBondContact CB-OG 3.25Å; C27-A78 HydrophobicContact CB-CB 3.46Å; C27-A78 VanDerWaalsContact CB-CB 3.46Å
28Y93.4Very high93.2Very high69 Ų6952 Ų5227%0.27128%0.279SS..Hα-helixtrans-55-46.8177.6164.8-95.3000112I24 F25 V31 D32 P135I24-Y28 PolarHBondContact O-N 3.4Å; I24-Y28 VanDerWaalsContact O-N 3.09Å; F25-Y28 AromaticContact CD2-CD1 3.99Å; F25-Y28 HydrophobicContact CD2-CD1 3.99Å; F25-Y28 AromaticContact CE2-CD1 3.94Å; F25-Y28 HydrophobicContact CE2-CD1 3.94Å; F25-Y28 HydrophobicContact CE2-CE1 4.34Å; F25-Y28 PolarHBondContact O-N 3.42Å; Y28-V31 PolarHBondContact O-N 3.29Å; Y28-D32 WeakPolarHBondContact O-CB 3.17Å; Y28-D32 PolarHBondContact O-N 3.01Å; Y28-P135 WeakPolarHBondContact OH-CB 3.46Å; Y28-P135 VanDerWaalsContact OH-CG 3.25Å; Y28-P135 WeakPolarHBondContact OH-CG 3.49Å
29W94.1Very high93Very high95 Ų9550.6 Ų50.636%0.3627%0.266SS..Hα-helixtrans-67-39.2-179.2-177.782.3000112.8F25 P26 C27 D32 R33 Y67F25-W29 HydrophobicContact CE1-CB 3.97Å; F25-W29 HydrophobicContact CE1-CG 4.25Å; F25-W29 HydrophobicContact CE2-CB 3.85Å; F25-W29 HydrophobicContact CE2-CG 4.41Å; F25-W29 HydrophobicContact CZ-CB 3.43Å; F25-W29 VanDerWaalsContact CZ-CB 3.43Å; F25-W29 AromaticContact CZ-CD1 3.6Å; F25-W29 AromaticContact CZ-CG 3.66Å; F25-W29 HydrophobicContact CZ-CG 3.66Å; F25-W29 WeakPolarHBondContact O-CB 3.48Å; F25-W29 PolarHBondContact O-N 3.41Å; P26-W29 PolarHBondContact O-N 3.39Å; C27-W29 VanDerWaalsContact C-N 3.32Å; C27-W29 PolarHBondContact O-N 3.42Å; W29-D32 PolarHBondContact O-N 3.46Å; W29-R33 HydrophobicContact CD2-CG 3.98Å; W29-R33 HydrophobicContact CE3-CG 4.39Å; W29-R33 HydrophobicContact CG-CG 4.47Å; W29-R33 HydrophobicContact CH2-CG 4.27Å; W29-R33 HydrophobicContact CZ2-CG 3.84Å; W29-R33 WeakPolarHBondContact O-CB 3.49Å; W29-R33 VanDerWaalsContact O-CG 3.25Å; W29-R33 WeakPolarHBondContact O-CG 3.42Å; W29-R33 PolarHBondContact O-N 2.74Å; W29-Y67 HydrophobicContact CH2-CE1 4.38Å; W29-Y67 HydrophobicContact CZ3-CE1 4.08Å
30L94.4Very high92.6Very high13 Ų1348.5 Ų48.57%0.06825%0.254CS..Hα-helixtrans-65-42.7176.2-70.9166.4000111.2P26 C27 L34 Y67 L70 L71P26-L30 WeakPolarHBondContact O-CB 3.29Å; P26-L30 WeakPolarHBondContact O-CD1 3.15Å; P26-L30 WeakPolarHBondContact O-CG 3.43Å; P26-L30 PolarHBondContact O-N 3.17Å; C27-L30 PolarHBondContact O-N 3.18Å; L30-L34 WeakPolarHBondContact O-CB 3.25Å; L30-L34 PolarHBondContact O-N 3.38Å; L30-Y67 HydrophobicContact CD2-CD1 3.54Å; L30-Y67 HydrophobicContact CD2-CE1 3.91Å; L30-L70 HydrophobicContact CD1-CB 3.76Å; L30-L70 HydrophobicContact CD2-CB 4.07Å; L30-L70 HydrophobicContact CD2-CD1 4.32Å; L30-L71 HydrophobicContact CB-CB 4.46Å; L30-L71 HydrophobicContact CB-CD1 4.28Å
31V93.3Very high92.4Very high72 Ų7248.5 Ų48.544%0.43625%0.254SS..Hα-helixtrans-60.7-50.2174.3172.80000110.7C27 Y28 R33 L34 A35 L71C27-V31 WeakPolarHBondContact O-CG2 3.15Å; C27-V31 PolarHBondContact O-N 3.22Å; Y28-V31 PolarHBondContact O-N 3.29Å; V31-R33 PolarHBondContact O-N 3.03Å; V31-L34 PolarHBondContact O-N 3.21Å; V31-A35 VanDerWaalsContact O-CB 3.32Å; V31-A35 WeakPolarHBondContact O-CB 3.36Å; V31-A35 PolarHBondContact O-N 3.24Å; V31-L71 HydrophobicContact CG2-CD1 3.51Å; V31-L71 HydrophobicContact CG2-CD2 4.14Å; V31-L71 HydrophobicContact CG2-CG 4.49Å
32D92.5Very high92.2Very high13 Ų1346.3 Ų46.37%0.0725%0.249CC..Hα-helixtrans-59.3-45.6-179.4-174.951.6000111.5Y28 W29 A36 P135 D136 S137Y28-D32 WeakPolarHBondContact O-CB 3.17Å; Y28-D32 PolarHBondContact O-N 3.01Å; W29-D32 PolarHBondContact O-N 3.46Å; D32-A36 WeakPolarHBondContact O-CB 3.26Å; D32-A36 PolarHBondContact O-N 3.47Å; D32-P135 WeakPolarHBondContact OD1-CB 3.4Å; D32-D136 PolarHBondContact OD1-N 2.96Å; D32-D136 VanDerWaalsContact OD1-N 3.12Å; D32-D136 PolarHBondContact OD2-N 2.81Å; D32-S137 VanDerWaalsContact OD1-CB 3.29Å; D32-S137 WeakPolarHBondContact OD1-CB 3.32Å; D32-S137 PolarHBondContact OD1-N 2.76Å; D32-S137 PolarHBondContact OD1-OG 3.17Å
33R90.9Very high91.7Very high85 Ų8547.4 Ų47.432%0.32124%0.239SC..Hα-helixtrans-67.7-40.6178.6-70.3-69.7165.2-161.9-4.7113.2W29 V31 S37 Y67 D136W29-R33 HydrophobicContact CD2-CG 3.98Å; W29-R33 HydrophobicContact CE3-CG 4.39Å; W29-R33 HydrophobicContact CG-CG 4.47Å; W29-R33 HydrophobicContact CH2-CG 4.27Å; W29-R33 HydrophobicContact CZ2-CG 3.84Å; W29-R33 WeakPolarHBondContact O-CB 3.49Å; W29-R33 VanDerWaalsContact O-CG 3.25Å; W29-R33 WeakPolarHBondContact O-CG 3.42Å; W29-R33 PolarHBondContact O-N 2.74Å; V31-R33 PolarHBondContact O-N 3.03Å; R33-S37 PolarHBondContact O-N 3.34Å; R33-S37 VanDerWaalsContact O-N 3.16Å; R33-Y67 HydrophobicContact CB-CE1 4.08Å; R33-D136 IonicContact NH1-OD2 2.83Å
34L90.8Very high91.2Very high30 Ų3047.3 Ų47.316%0.15724%0.238CC..Hα-helixtrans-64.5-49.6177.2-177.162.6000110.2L30 V31 A36 S37 F38 T64 L71L30-L34 WeakPolarHBondContact O-CB 3.25Å; L30-L34 PolarHBondContact O-N 3.38Å; V31-L34 PolarHBondContact O-N 3.21Å; L34-A36 PolarHBondContact O-N 2.93Å; L34-S37 WeakPolarHBondContact O-CB 3.47Å; L34-S37 PolarHBondContact O-N 3.07Å; L34-S37 PolarHBondContact O-OG 3.48Å; L34-F38 HydrophobicContact CD1-CE2 3.72Å; L34-F38 HydrophobicContact CD1-CZ 4.34Å; L34-F38 HydrophobicContact CG-CE2 4.02Å; L34-F38 WeakPolarHBondContact O-CD2 3.37Å; L34-F38 WeakPolarHBondContact O-CE2 3.38Å; L34-T64 HydrophobicContact CD1-CG2 4.19Å; L34-L71 HydrophobicContact CD2-CD2 4.5Å
35A91.1Very high90.7Very high35 Ų3551.6 Ų51.629%0.28926%0.255SS..Hα-helixtrans-60.4-45.6177.200000112V31 S37 F38V31-A35 VanDerWaalsContact O-CB 3.32Å; V31-A35 WeakPolarHBondContact O-CB 3.36Å; V31-A35 PolarHBondContact O-N 3.24Å; A35-S37 PolarHBondContact O-N 3.44Å; A35-F38 PolarHBondContact O-N 3.08Å
36A89.4Confident90.1Very high4 Ų455 Ų553%0.03327%0.267CS..Hα-helixtrans-56.4-34.5176.900000113.1D32 L34 F38 I39D32-A36 WeakPolarHBondContact O-CB 3.26Å; D32-A36 PolarHBondContact O-N 3.47Å; L34-A36 PolarHBondContact O-N 2.93Å; A36-F38 PolarHBondContact O-N 2.92Å; A36-I39 PolarHBondContact O-N 2.97Å
37S86Confident89.3Confident53 Ų5356.9 Ų56.937%0.37127%0.271SS..Hα-helixtrans-64.9-23.2178.977.10000114R33 L34 A35R33-S37 PolarHBondContact O-N 3.34Å; R33-S37 VanDerWaalsContact O-N 3.16Å; L34-S37 WeakPolarHBondContact O-CB 3.47Å; L34-S37 PolarHBondContact O-N 3.07Å; L34-S37 PolarHBondContact O-OG 3.48Å; A35-S37 PolarHBondContact O-N 3.44Å
38F87Confident88.4Confident126 Ų12661.5 Ų61.555%0.55329%0.286SS*.Hα-helixtrans-95-6.8179-62.6-72000113.7L34 A35 A36 P40 T64L34-F38 HydrophobicContact CD1-CE2 3.72Å; L34-F38 HydrophobicContact CD1-CZ 4.34Å; L34-F38 HydrophobicContact CG-CE2 4.02Å; L34-F38 WeakPolarHBondContact O-CD2 3.37Å; L34-F38 WeakPolarHBondContact O-CE2 3.38Å; A35-F38 PolarHBondContact O-N 3.08Å; A36-F38 PolarHBondContact O-N 2.92Å; F38-P40 WeakPolarHBondContact O-CD 3.47Å; F38-T64 HydrophobicContact CZ-CG2 4.45Å
39I89.4Confident87.3Confident57 Ų5762.1 Ų62.129%0.29231%0.306SS..SBendtrans-116.585.2-177.8-51173.2000108.9A36 R140 I141A36-I39 PolarHBondContact O-N 2.97Å; I39-R140 HydrophobicContact CB-CB 4.02Å; I39-R140 HydrophobicContact CG2-CB 3.67Å; I39-R140 WeakPolarHBondContact O-CD 3.38Å; I39-R140 PolarHBondContact O-NH1 3.02Å; I39-R140 VanDerWaalsContact O-NH1 3.09Å; I39-I141 HydrophobicContact CD1-CG1 4.41Å
40P88.4Confident86.2Confident33 Ų3363.7 Ų63.721%0.21432%0.321CS..  trans-79.2136.8-177.932.3-36.7000112.8F38 E44 K45F38-P40 WeakPolarHBondContact O-CD 3.47Å; P40-E44 WeakPolarHBondContact CA-OE2 3.44Å; P40-K45 HydrophobicContact CB-CG 4.23Å; P40-K45 HydrophobicContact CG-CG 4.36Å; P40-K45 WeakPolarHBondContact O-CE 3.18Å
41T90.6Very high84.6Confident0 Ų067.3 Ų67.30%034%0.341CS..  trans-74.6162.1173.663.40000111.5Y43 E44 K45 R140 N143 F145T41-Y43 PolarHBondContact O-N 3.42Å; T41-E44 PolarHBondContact N-OE2 3.47Å; T41-E44 PolarHBondContact O-N 3.28Å; T41-E44 WeakPolarHBondContact OG1-CG 3.19Å; T41-E44 PolarHBondContact OG1-N 2.87Å; T41-K45 WeakPolarHBondContact O-CG 3.33Å; T41-K45 PolarHBondContact O-N 3.35Å; T41-R140 HydrophobicContact CG2-CG 4.18Å; T41-N143 WeakPolarHBondContact CA-OD1 3.35Å; T41-N143 WeakPolarHBondContact CB-OD1 3.48Å; T41-F145 HydrophobicContact CG2-CB 4.13Å; T41-F145 HydrophobicContact CG2-CD1 3.97Å; T41-F145 HydrophobicContact CG2-CG 4.4Å
42T89.1Confident82.9Confident36 Ų3669.8 Ų69.822%0.22136%0.358CS..Hα-helixtrans-63.3-31.6175.563.20000111.6K45 R46 N143 Y558T42-K45 PolarHBondContact O-N 2.76Å; T42-R46 WeakPolarHBondContact O-CB 3.35Å; T42-R46 PolarHBondContact O-N 3.38Å; T42-N143 PolarHBondContact N-OD1 3.28Å; T42-N143 PolarHBondContact OG1-ND2 2.9Å; T42-Y558 WeakPolarHBondContact OG1-CD2 3.36Å
43Y86.3Confident81.3Confident94 Ų9472.9 Ų72.937%0.36938%0.38SS..Hα-helixtrans-59-52.3169.9-178.4-101.6000112T41 K45 R46 Q47 F145 Y558T41-Y43 PolarHBondContact O-N 3.42Å; Y43-K45 VanDerWaalsContact C-N 3.31Å; Y43-K45 PolarHBondContact O-N 2.77Å; Y43-R46 PolarHBondContact O-N 3.25Å; Y43-Q47 VanDerWaalsContact CE1-CD 3.49Å; Y43-Q47 HydrophobicContact CE1-CG 4.29Å; Y43-Q47 PolarHBondContact O-N 2.86Å; Y43-Q47 PolarHBondContact OH-NE2 3.39Å; Y43-F145 HydrophobicContact CD1-CE1 4.18Å; Y43-F145 AromaticContact CD1-CZ 3.93Å; Y43-F145 HydrophobicContact CD1-CZ 3.93Å; Y43-F145 HydrophobicContact CE1-CZ 4.25Å; Y43-F145 HydrophobicContact CG-CE1 4.48Å; Y43-Y558 HydrophobicContact CD2-CD1 4.5Å; Y43-Y558 HydrophobicContact CD2-CG 4.4Å; Y43-Y558 HydrophobicContact CG-CG 4.49Å
44E86.1Confident80.2Confident38 Ų3873 Ų7318%0.17839%0.393CS..Hα-helixtrans-65.1-34.7178.5-70.3170.1170.600111.9P40 T41 R48 R140P40-E44 WeakPolarHBondContact CA-OE2 3.44Å; T41-E44 PolarHBondContact N-OE2 3.47Å; T41-E44 PolarHBondContact O-N 3.28Å; T41-E44 WeakPolarHBondContact OG1-CG 3.19Å; T41-E44 PolarHBondContact OG1-N 2.87Å; E44-R48 VanDerWaalsContact O-CG 3.23Å; E44-R48 WeakPolarHBondContact O-CG 3.44Å; E44-R48 PolarHBondContact O-N 3.16Å; E44-R48 VanDerWaalsContact O-N 3.11Å; E44-R48 PolarHBondContact O-NE 3.4Å; E44-R48 IonicContact OE2-NH2 3.49Å; E44-R140 VanDerWaalsContact CD-NH1 3.27Å; E44-R140 IonicContact OE1-CZ 2.77Å; E44-R140 IonicContact OE1-NH1 2.9Å; E44-R140 PolarHBondContact OE1-NH1 3.3Å; E44-R140 IonicContact OE1-NH2 3.09Å; E44-R140 PolarHBondContact OE1-NH2 3.38Å; E44-R140 IonicContact OE2-CZ 2.79Å; E44-R140 IonicContact OE2-NH1 3.53Å; E44-R140 PolarHBondContact OE2-NH1 3.19Å
45K85.8Confident79.2Confident115 Ų11576.6 Ų76.650%0.541%0.412SS..Hα-helixtrans-65.3-41.3174.1-71.5173.8-172.81730111.9P40 T41 T42 Y43 R48 A49P40-K45 HydrophobicContact CB-CG 4.23Å; P40-K45 HydrophobicContact CG-CG 4.36Å; P40-K45 WeakPolarHBondContact O-CE 3.18Å; T41-K45 WeakPolarHBondContact O-CG 3.33Å; T41-K45 PolarHBondContact O-N 3.35Å; T42-K45 PolarHBondContact O-N 2.76Å; Y43-K45 VanDerWaalsContact C-N 3.31Å; Y43-K45 PolarHBondContact O-N 2.77Å; K45-R48 PolarHBondContact O-N 3.35Å; K45-A49 PolarHBondContact O-N 3Å
46R82.8Confident78.2Confident116 Ų11680.4 Ų80.444%0.43842%0.424SS..Hα-helixtrans-64.1-48176.5-173179.8-72.5167.50.3110.7T42 Y43 R48 A49 D50 Y558 D559T42-R46 WeakPolarHBondContact O-CB 3.35Å; T42-R46 PolarHBondContact O-N 3.38Å; Y43-R46 PolarHBondContact O-N 3.25Å; R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 2.67Å; R46-A49 WeakPolarHBondContact O-CB 3.15Å; R46-A49 PolarHBondContact O-N 2.83Å; R46-D50 PolarHBondContact O-N 3.16Å; R46-Y558 PolarHBondContact NH1-O 3.25Å; R46-D559 IonicContact CZ-OD1 2.79Å; R46-D559 IonicContact NH1-OD1 3.76Å; R46-D559 IonicContact NH2-OD1 3.65Å; R46-D559 PolarHBondContact NH2-OD1 3.49Å
47Q78.9Confident77.5Confident98 Ų9886.1 Ų86.146%0.45845%0.453SS..Hα-helixtrans-57.4-36.8175.6-74.1-170.6-22.300113.3Y43 D50 D51Y43-Q47 VanDerWaalsContact CE1-CD 3.49Å; Y43-Q47 HydrophobicContact CE1-CG 4.29Å; Y43-Q47 PolarHBondContact O-N 2.86Å; Y43-Q47 PolarHBondContact OH-NE2 3.39Å; Q47-D50 PolarHBondContact O-N 2.87Å; Q47-D51 PolarHBondContact O-N 3.04Å
48R75.9Confident77.1Confident109 Ų10988 Ų8841%0.41146%0.458SS..Hα-helixtrans-69.4-29.8175.7-72.4169.9-150.1-178.6-0.4113.9E44 K45 R46 D51E44-R48 VanDerWaalsContact O-CG 3.23Å; E44-R48 WeakPolarHBondContact O-CG 3.44Å; E44-R48 PolarHBondContact O-N 3.16Å; E44-R48 VanDerWaalsContact O-N 3.11Å; E44-R48 PolarHBondContact O-NE 3.4Å; E44-R48 IonicContact OE2-NH2 3.49Å; K45-R48 PolarHBondContact O-N 3.35Å; R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 2.67Å; R48-D51 VanDerWaalsContact O-O 3.05Å
49A71.5Confident76.6Confident83 Ų8383.8 Ų83.869%0.68644%0.444SS*.Hα-helixtrans-67.7-30.7174.600000110.7K45 R46K45-A49 PolarHBondContact O-N 3Å; R46-A49 WeakPolarHBondContact O-CB 3.15Å; R46-A49 PolarHBondContact O-N 2.83Å
50D69.2Low76.1Confident128 Ų12882.8 Ų82.868%0.68444%0.441SS*.Hα-helixtrans-87.4-20.2179.7-60.7-30.5000113.4R46 Q47 P52R46-D50 PolarHBondContact O-N 3.16Å; Q47-D50 PolarHBondContact O-N 2.87Å; D50-P52 WeakPolarHBondContact O-CD 3.16Å
51D62.1Low75.9Confident88 Ų8884.4 Ų84.447%0.47146%0.457SS..  trans-110.2100.6174.7-170.20.9000112.1Q47 R48 C53Q47-D51 PolarHBondContact O-N 3.04Å; R48-D51 VanDerWaalsContact O-O 3.05Å; D51-C53 PolarHBondContact O-N 3.08Å; D51-C53 WeakPolarHBondContact OD1-CB 3.45Å; D51-C53 PolarHBondContact OD1-N 2.77Å; D51-C53 PolarHBondContact OD1-SG 2.92Å; D51-C53 VanDerWaalsContact OD1-SG 3.42Å
52P57.1Low75.7Confident125 Ų12589.3 Ų89.381%0.81248%0.482SS*.  trans-72.65.9-17728.5-33.8000114.5D50D50-P52 WeakPolarHBondContact O-CD 3.16Å
53C59.3Low75.5Confident77 Ų7792.7 Ų92.752%0.5249%0.494SS..  trans-83128-175-64.90000112.7D51 L55D51-C53 PolarHBondContact O-N 3.08Å; D51-C53 WeakPolarHBondContact OD1-CB 3.45Å; D51-C53 PolarHBondContact OD1-N 2.77Å; D51-C53 PolarHBondContact OD1-SG 2.92Å; D51-C53 VanDerWaalsContact OD1-SG 3.42Å; C53-L55 HydrophobicContact CB-CB 4.14Å; C53-L55 PolarHBondContact O-N 2.84Å
54C66.8Low75.7Confident88 Ų8890.1 Ų90.160%0.59549%0.488SS*.THydrogen-bonded Turntrans-61.17.1168.7-163.30000113.6Q56 L57 L58C54-Q56 PolarHBondContact O-N 3.05Å; C54-L57 PolarHBondContact O-N 2.85Å; C54-L58 VanDerWaalsContact O-CB 3.25Å; C54-L58 WeakPolarHBondContact O-CB 3.2Å; C54-L58 PolarHBondContact O-N 2.82Å
55L70.7Confident76Confident105 Ų10591.8 Ų91.855%0.5550%0.503SS..Hα-helixtrans-60.6-43.7-175.4-175.965.7000111.8C53 L58 C59C53-L55 HydrophobicContact CB-CB 4.14Å; C53-L55 PolarHBondContact O-N 2.84Å; L55-L58 PolarHBondContact O-N 2.86Å; L55-C59 VanDerWaalsContact O-CB 3.31Å; L55-C59 WeakPolarHBondContact O-CB 3.27Å; L55-C59 PolarHBondContact O-N 2.71Å; L55-C59 PolarHBondContact O-SG 2.89Å
56Q69.4Low76.2Confident116 Ų11690.7 Ų90.754%0.54250%0.501SS..Hα-helixtrans-69.7-37.8179.5-169.3673.500112C54 L58 C59 T60C54-Q56 PolarHBondContact O-N 3.05Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; Q56-C59 PolarHBondContact O-N 3.01Å; Q56-T60 WeakPolarHBondContact O-CB 3.24Å; Q56-T60 PolarHBondContact O-N 3.34Å; Q56-T60 PolarHBondContact O-OG1 2.76Å
57L74.7Confident76.6Confident123 Ų12388.6 Ų88.664%0.64449%0.494SS*.Hα-helixtrans-66.1-40.7175.3-168.672.3000110.6C54 T60 A61C54-L57 PolarHBondContact O-N 2.85Å; L57-T60 PolarHBondContact O-N 3.19Å; L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.44Å
58L77.1Confident77.3Confident93 Ų9388.3 Ų88.349%0.48750%0.495SS..Hα-helixtrans-65.1-46.7174.8-177.666.1000111.8C54 L55 Q56 T60 A61 L62C54-L58 VanDerWaalsContact O-CB 3.25Å; C54-L58 WeakPolarHBondContact O-CB 3.2Å; C54-L58 PolarHBondContact O-N 2.82Å; L55-L58 PolarHBondContact O-N 2.86Å; Q56-L58 VanDerWaalsContact C-N 3.35Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 3Å; L58-A61 PolarHBondContact O-N 3.19Å; L58-L62 HydrophobicContact CD1-CD1 4.13Å; L58-L62 HydrophobicContact CD1-CG 4.31Å; L58-L62 HydrophobicContact CG-CD1 3.94Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.43Å
59C76.9Confident78.1Confident38 Ų3886.2 Ų86.226%0.25750%0.501SS..Hα-helixtrans-57.8-46.4173.5-750000110.4L55 Q56 A61 L62 F63L55-C59 VanDerWaalsContact O-CB 3.31Å; L55-C59 WeakPolarHBondContact O-CB 3.27Å; L55-C59 PolarHBondContact O-N 2.71Å; L55-C59 PolarHBondContact O-SG 2.89Å; Q56-C59 PolarHBondContact O-N 3.01Å; C59-A61 PolarHBondContact O-N 2.8Å; C59-L62 PolarHBondContact O-N 2.93Å; C59-F63 HydrophobicContact CB-CD2 4.09Å; C59-F63 HydrophobicContact CB-CE2 4.27Å; C59-F63 WeakPolarHBondContact O-CB 3.32Å; C59-F63 WeakPolarHBondContact O-CD2 3.22Å; C59-F63 PolarHBondContact O-N 3.16Å
60T79.8Confident79.3Confident36 Ų3686.7 Ų86.722%0.22149%0.491CS..Hα-helixtrans-61.3-46.7177.4-52.70000110.5Q56 L57 L58 L62 T64Q56-T60 WeakPolarHBondContact O-CB 3.24Å; Q56-T60 PolarHBondContact O-N 3.34Å; Q56-T60 PolarHBondContact O-OG1 2.76Å; L57-T60 PolarHBondContact O-N 3.19Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 3Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.77Å; T60-T64 WeakPolarHBondContact O-CB 3.31Å; T60-T64 PolarHBondContact O-N 3.17Å; T60-T64 PolarHBondContact O-OG1 3.3Å
61A84Confident80.5Confident66 Ų6681.7 Ų81.755%0.54547%0.465SS..Hα-helixtrans-63-36.4178.500000113.3L57 L58 C59 P65L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.44Å; L58-A61 PolarHBondContact O-N 3.19Å; C59-A61 PolarHBondContact O-N 2.8Å; A61-P65 WeakPolarHBondContact O-CD 3.4Å
62L85.9Confident82.1Confident103 Ų10381.8 Ų81.854%0.53947%0.468SS..Hα-helixtrans-77.9-42.1179-71.5172.5000112.9L58 C59 T60 P65L58-L62 HydrophobicContact CD1-CD1 4.13Å; L58-L62 HydrophobicContact CD1-CG 4.31Å; L58-L62 HydrophobicContact CG-CD1 3.94Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.27Å; L58-L62 PolarHBondContact O-N 3.43Å; C59-L62 PolarHBondContact O-N 2.93Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.77Å; L62-P65 WeakPolarHBondContact O-CD 3.33Å; L62-P65 VanDerWaalsContact O-CG 3.31Å; L62-P65 WeakPolarHBondContact O-CG 3.31Å
63F86Confident84Confident108 Ų10878.8 Ų78.847%0.47445%0.453SS..Hα-helixtrans-82.9-30.4-176-72-66.2000112.8C59 I66 Y67C59-F63 HydrophobicContact CB-CD2 4.09Å; C59-F63 HydrophobicContact CB-CE2 4.27Å; C59-F63 WeakPolarHBondContact O-CB 3.32Å; C59-F63 WeakPolarHBondContact O-CD2 3.22Å; C59-F63 PolarHBondContact O-N 3.16Å; F63-I66 HydrophobicContact CD1-CD1 4.16Å; F63-I66 WeakPolarHBondContact O-CA 3.48Å; F63-I66 WeakPolarHBondContact O-CB 3.19Å; F63-I66 PolarHBondContact O-N 3.17Å; F63-Y67 HydrophobicContact CB-CD2 4.02Å; F63-Y67 HydrophobicContact CB-CE2 4.03Å; F63-Y67 VanDerWaalsContact O-CD2 3.27Å; F63-Y67 WeakPolarHBondContact O-CD2 3.45Å; F63-Y67 PolarHBondContact O-N 3.02Å
64T89.6Confident85.8Confident39 Ų3975.7 Ų75.724%0.23943%0.433CS..Hα-helixtrans-50.7-50.8177.5-640000113.7L34 F38 T60 I66 Y67 L68L34-T64 HydrophobicContact CD1-CG2 4.19Å; F38-T64 HydrophobicContact CZ-CG2 4.45Å; T60-T64 WeakPolarHBondContact O-CB 3.31Å; T60-T64 PolarHBondContact O-N 3.17Å; T60-T64 PolarHBondContact O-OG1 3.3Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 PolarHBondContact O-N 3.06Å; T64-Y67 PolarHBondContact O-N 3.06Å; T64-L68 WeakPolarHBondContact O-CB 3.25Å; T64-L68 PolarHBondContact O-N 3.03Å
65P91.6Very high87.2Confident74 Ų7475.8 Ų75.848%0.48143%0.427SS..Hα-helixtrans-64.3-32.3178.524.9-34.6000112.7A61 L62 L68 A69A61-P65 WeakPolarHBondContact O-CD 3.4Å; L62-P65 WeakPolarHBondContact O-CD 3.33Å; L62-P65 VanDerWaalsContact O-CG 3.31Å; L62-P65 WeakPolarHBondContact O-CG 3.31Å; P65-L68 PolarHBondContact O-N 2.9Å; P65-A69 WeakPolarHBondContact O-CB 3.45Å; P65-A69 PolarHBondContact O-N 3.35Å
66I91.1Very high88.4Confident92 Ų9274.9 Ų74.947%0.47243%0.427SS..Hα-helixtrans-66.7-48.5175.3-58.9173.3000110.1F63 T64 L68 A69 L70F63-I66 HydrophobicContact CD1-CD1 4.16Å; F63-I66 WeakPolarHBondContact O-CA 3.48Å; F63-I66 WeakPolarHBondContact O-CB 3.19Å; F63-I66 PolarHBondContact O-N 3.17Å; T64-I66 VanDerWaalsContact C-N 3.27Å; T64-I66 PolarHBondContact O-N 3.06Å; I66-L68 VanDerWaalsContact C-N 3.3Å; I66-L68 PolarHBondContact O-N 2.82Å; I66-A69 PolarHBondContact O-N 3.48Å; I66-L70 HydrophobicContact CG2-CD1 4.11Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 3.05Å
67Y90.3Very high89.7Confident72 Ų7275 Ų7528%0.28243%0.427SS..Hα-helixtrans-58.9-41.7175.6-85.8-79000111.7W29 L30 R33 F63 T64 L70 L71W29-Y67 HydrophobicContact CH2-CE1 4.38Å; W29-Y67 HydrophobicContact CZ3-CE1 4.08Å; L30-Y67 HydrophobicContact CD2-CD1 3.54Å; L30-Y67 HydrophobicContact CD2-CE1 3.91Å; R33-Y67 HydrophobicContact CB-CE1 4.08Å; F63-Y67 HydrophobicContact CB-CD2 4.02Å; F63-Y67 HydrophobicContact CB-CE2 4.03Å; F63-Y67 VanDerWaalsContact O-CD2 3.27Å; F63-Y67 WeakPolarHBondContact O-CD2 3.45Å; F63-Y67 PolarHBondContact O-N 3.02Å; T64-Y67 PolarHBondContact O-N 3.06Å; Y67-L70 PolarHBondContact O-N 2.87Å; Y67-L71 VanDerWaalsContact O-CB 3.26Å; Y67-L71 WeakPolarHBondContact O-CB 3.3Å; Y67-L71 PolarHBondContact O-N 3.05Å
68L93.5Very high90.7Very high92 Ų9269.9 Ų69.948%0.48240%0.401SS..Hα-helixtrans-66.3-42.9178.4-171.464.8000111.9T64 P65 I66 L71 V72T64-L68 WeakPolarHBondContact O-CB 3.25Å; T64-L68 PolarHBondContact O-N 3.03Å; P65-L68 PolarHBondContact O-N 2.9Å; I66-L68 VanDerWaalsContact C-N 3.3Å; I66-L68 PolarHBondContact O-N 2.82Å; L68-L71 WeakPolarHBondContact O-CB 3.49Å; L68-L71 PolarHBondContact O-N 2.84Å; L68-V72 WeakPolarHBondContact O-CG2 3.34Å; L68-V72 PolarHBondContact O-N 2.7Å
69A94.3Very high91.6Very high65 Ų6571.8 Ų71.854%0.53741%0.406SS..Hα-helixtrans-62.8-44.8176.200000111.8P65 I66 L71 V72 A73P65-A69 WeakPolarHBondContact O-CB 3.45Å; P65-A69 PolarHBondContact O-N 3.35Å; I66-A69 PolarHBondContact O-N 3.48Å; A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.24Å; A69-V72 PolarHBondContact O-N 3.47Å; A69-A73 WeakPolarHBondContact O-CB 3.37Å; A69-A73 PolarHBondContact O-N 2.87Å
70L95.1Very high92.6Very high92 Ų9273.6 Ų73.648%0.48241%0.413SS..Hα-helixtrans-63.3-38.8174.9-69.5174.2000111.8L30 I66 Y67 A73 S74L30-L70 HydrophobicContact CD1-CB 3.76Å; L30-L70 HydrophobicContact CD2-CB 4.07Å; L30-L70 HydrophobicContact CD2-CD1 4.32Å; I66-L70 HydrophobicContact CG2-CD1 4.11Å; I66-L70 WeakPolarHBondContact O-CG 3.34Å; I66-L70 PolarHBondContact O-N 3.05Å; Y67-L70 PolarHBondContact O-N 2.87Å; L70-A73 PolarHBondContact O-N 2.9Å; L70-S74 WeakPolarHBondContact O-CB 3.47Å; L70-S74 PolarHBondContact O-N 3.49Å; L70-S74 PolarHBondContact O-OG 3.05Å
71L94.8Very high93.3Very high24 Ų2471.9 Ų71.913%0.12640%0.402CS..Hα-helixtrans-61-52.2177.4176.960.2000110C27 L30 V31 L34 Y67 L68 A69 A73 S74 L75C27-L71 VanDerWaalsContact SG-CD1 3.56Å; L30-L71 HydrophobicContact CB-CB 4.46Å; L30-L71 HydrophobicContact CB-CD1 4.28Å; V31-L71 HydrophobicContact CG2-CD1 3.51Å; V31-L71 HydrophobicContact CG2-CD2 4.14Å; V31-L71 HydrophobicContact CG2-CG 4.49Å; L34-L71 HydrophobicContact CD2-CD2 4.5Å; Y67-L71 VanDerWaalsContact O-CB 3.26Å; Y67-L71 WeakPolarHBondContact O-CB 3.3Å; Y67-L71 PolarHBondContact O-N 3.05Å; L68-L71 WeakPolarHBondContact O-CB 3.49Å; L68-L71 PolarHBondContact O-N 2.84Å; A69-L71 VanDerWaalsContact C-N 3.32Å; A69-L71 PolarHBondContact O-N 3.24Å; L71-A73 VanDerWaalsContact C-N 3.29Å; L71-A73 PolarHBondContact O-N 3.38Å; L71-S74 PolarHBondContact O-N 2.85Å; L71-S74 PolarHBondContact O-OG 2.83Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.13Å; L71-L75 VanDerWaalsContact O-N 3.09Å
72V96.1Very high93.8Very high90 Ų9072.7 Ų72.755%0.54539%0.394SS..Hα-helixtrans-57.7-42.7177.6173.30000111.4L68 A69 S74 L75L68-V72 WeakPolarHBondContact O-CG2 3.34Å; L68-V72 PolarHBondContact O-N 2.7Å; A69-V72 PolarHBondContact O-N 3.47Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 3.1Å; V72-L75 PolarHBondContact O-N 3.03Å
73A96.5Very high94.2Very high61 Ų6172 Ų7250%0.50439%0.39SS..Hα-helixtrans-64.1-30.6176.600000113.1A69 L70 L71 F77A69-A73 WeakPolarHBondContact O-CB 3.37Å; A69-A73 PolarHBondContact O-N 2.87Å; L70-A73 PolarHBondContact O-N 2.9Å; L71-A73 VanDerWaalsContact C-N 3.29Å; L71-A73 PolarHBondContact O-N 3.38Å; A73-F77 WeakPolarHBondContact O-CD2 3.43Å
74S96.7Very high94.5Very high12 Ų1270.7 Ų70.78%0.08438%0.384CS..Hα-helixtrans-83.9-20.5-179.373.20000114.6C27 L70 L71 V72 F77 A78C27-S74 VanDerWaalsContact CA-OG 3.3Å; C27-S74 WeakPolarHBondContact CA-OG 3.39Å; C27-S74 WeakPolarHBondContact CB-OG 3.25Å; L70-S74 WeakPolarHBondContact O-CB 3.47Å; L70-S74 PolarHBondContact O-N 3.49Å; L70-S74 PolarHBondContact O-OG 3.05Å; L71-S74 PolarHBondContact O-N 2.85Å; L71-S74 PolarHBondContact O-OG 2.83Å; V72-S74 VanDerWaalsContact C-N 3.27Å; V72-S74 PolarHBondContact O-N 3.1Å; S74-F77 PolarHBondContact O-N 3.46Å; S74-A78 PolarHBondContact O-N 3.34Å
75L96.2Very high94.6Very high90 Ų9069.5 Ų69.547%0.47138%0.375SS..Hα-helixtrans-56-44.5-176-76.3172.2000114.4L71 V72 F77 A78 F79L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.13Å; L71-L75 VanDerWaalsContact O-N 3.09Å; V72-L75 PolarHBondContact O-N 3.03Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.33Å; L75-A78 PolarHBondContact O-N 2.81Å; L75-F79 WeakPolarHBondContact O-CB 3.43Å; L75-F79 PolarHBondContact O-N 2.62Å
76P97.1Very high94.5Very high86 Ų8668 Ų6856%0.55837%0.367SS*.Hα-helixtrans-62.9-38179.8-22.934.5000112.7L80P76-L80 PolarHBondContact O-N 3.25Å
77F96.8Very high94.5Very high120 Ų12067.7 Ų67.753%0.52637%0.371SS..Hα-helixtrans-68.1-43.9176.3-59-77000110.8L23 A73 S74 L75 F79 L80 G81L23-F77 WeakPolarHBondContact CB-O 3.39Å; L23-F77 HydrophobicContact CD2-CB 4.23Å; L23-F77 HydrophobicContact CD2-CD1 4.22Å; A73-F77 WeakPolarHBondContact O-CD2 3.43Å; S74-F77 PolarHBondContact O-N 3.46Å; L75-F77 VanDerWaalsContact C-N 3.31Å; L75-F77 PolarHBondContact O-N 3.33Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 2.95Å; F77-L80 PolarHBondContact O-N 3.43Å; F77-G81 PolarHBondContact O-N 2.92Å
78A96.2Very high94.5Very high14 Ų1464.7 Ų64.712%0.11636%0.359CS..Hα-helixtrans-61.9-40177.100000112.2C27 S74 L75 G81 F82C27-A78 HydrophobicContact CB-CB 3.46Å; C27-A78 VanDerWaalsContact CB-CB 3.46Å; S74-A78 PolarHBondContact O-N 3.34Å; L75-A78 PolarHBondContact O-N 2.81Å; A78-G81 PolarHBondContact O-N 2.84Å; A78-F82 WeakPolarHBondContact O-CB 3.35Å; A78-F82 PolarHBondContact O-N 3.49Å
79F95.9Very high94.3Very high133 Ų13360.5 Ų60.558%0.58334%0.337SS*.Hα-helixtrans-61.1-47.6173.8179.5-105.8000111.8L75 F77 G81 F82 L83L75-F79 WeakPolarHBondContact O-CB 3.43Å; L75-F79 PolarHBondContact O-N 2.62Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 2.95Å; F79-G81 PolarHBondContact O-N 3.36Å; F79-F82 WeakPolarHBondContact O-CB 3.47Å; F79-F82 PolarHBondContact O-N 2.71Å; F79-L83 HydrophobicContact CD1-CD1 4.21Å; F79-L83 HydrophobicContact CE1-CD1 3.7Å; F79-L83 HydrophobicContact CE1-CG 4.27Å; F79-L83 HydrophobicContact CZ-CD1 4.08Å; F79-L83 HydrophobicContact CZ-CD2 4.22Å; F79-L83 HydrophobicContact CZ-CG 4.29Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 2.83Å
80L96.3Very high93.9Very high77 Ų7761.4 Ų61.440%0.40334%0.34SS..Hα-helixtrans-61.6-43.9175.9-178.762.5000112L23 P76 F77 F82 L83 F84L23-L80 HydrophobicContact CD1-CD2 4.37Å; L23-L80 HydrophobicContact CD1-CG 4.33Å; P76-L80 PolarHBondContact O-N 3.25Å; F77-L80 PolarHBondContact O-N 3.43Å; L80-F82 VanDerWaalsContact C-N 3.28Å; L80-F82 PolarHBondContact O-N 2.9Å; L80-L83 PolarHBondContact O-N 2.75Å; L80-F84 HydrophobicContact CD1-CE2 3.93Å; L80-F84 HydrophobicContact CD1-CZ 3.87Å; L80-F84 HydrophobicContact CD2-CE2 4.36Å; L80-F84 HydrophobicContact CG-CD2 4.46Å; L80-F84 HydrophobicContact CG-CE2 3.81Å; L80-F84 HydrophobicContact CG-CZ 4.27Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 3.2Å
81G96.1Very high93.7Very high0 Ų058.9 Ų58.90%033%0.332CS..Hα-helixtrans-60.4-38.917500000112.1S20 F77 A78 F79 F84 W85S20-G81 WeakPolarHBondContact CB-O 3.28Å; F77-G81 PolarHBondContact O-N 2.92Å; A78-G81 PolarHBondContact O-N 2.84Å; F79-G81 PolarHBondContact O-N 3.36Å; G81-F84 PolarHBondContact O-N 2.92Å; G81-W85 VanDerWaalsContact O-CB 3.24Å; G81-W85 WeakPolarHBondContact O-CB 3.44Å; G81-W85 PolarHBondContact O-N 2.9Å
82F93.3Very high93.5Very high82 Ų8259 Ų5936%0.3633%0.331SS..Hα-helixtrans-63.8-40.7176.1-178-94.8000112.4A78 F79 L80 F84 W85 S86 F400A78-F82 WeakPolarHBondContact O-CB 3.35Å; A78-F82 PolarHBondContact O-N 3.49Å; F79-F82 WeakPolarHBondContact O-CB 3.47Å; F79-F82 PolarHBondContact O-N 2.71Å; L80-F82 VanDerWaalsContact C-N 3.28Å; L80-F82 PolarHBondContact O-N 2.9Å; F82-F84 VanDerWaalsContact C-N 3.26Å; F82-F84 PolarHBondContact O-N 3Å; F82-W85 HydrophobicContact CD2-CE3 4.14Å; F82-W85 HydrophobicContact CE2-CE3 4.13Å; F82-W85 HydrophobicContact CE2-CZ3 4.12Å; F82-W85 PolarHBondContact O-N 2.85Å; F82-S86 WeakPolarHBondContact O-CB 3.46Å; F82-S86 PolarHBondContact O-N 2.66Å; F82-F400 HydrophobicContact CE2-CE2 4.08Å; F82-F400 AromaticContact CE2-CZ 3.61Å; F82-F400 HydrophobicContact CE2-CZ 3.61Å; F82-F400 AromaticContact CZ-CE2 3.86Å; F82-F400 HydrophobicContact CZ-CE2 3.86Å; F82-F400 AromaticContact CZ-CZ 3.83Å; F82-F400 HydrophobicContact CZ-CZ 3.83Å
83L93.8Very high93.3Very high88 Ų8857.6 Ų57.646%0.46132%0.316SS..Hα-helixtrans-61.3-34176-68177.8000112.6F79 L80 P87F79-L83 HydrophobicContact CD1-CD1 4.21Å; F79-L83 HydrophobicContact CE1-CD1 3.7Å; F79-L83 HydrophobicContact CE1-CG 4.27Å; F79-L83 HydrophobicContact CZ-CD1 4.08Å; F79-L83 HydrophobicContact CZ-CD2 4.22Å; F79-L83 HydrophobicContact CZ-CG 4.29Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 2.83Å; L80-L83 PolarHBondContact O-N 2.75Å; L83-P87 WeakPolarHBondContact O-CD 3.48Å; L83-P87 WeakPolarHBondContact O-CG 3.29Å
84F92.6Very high93Very high81 Ų8156.9 Ų56.936%0.35531%0.306SS..Hα-helixtrans-78.7-40.2172.1-61.5-39.9000112.3L16 S20 L23 L80 G81 F82 L88L16-F84 HydrophobicContact CD1-CB 4.41Å; L16-F84 HydrophobicContact CD1-CG 4.34Å; S20-F84 WeakPolarHBondContact OG-CB 3.31Å; L23-F84 HydrophobicContact CD1-CD2 4.3Å; L23-F84 HydrophobicContact CD1-CE2 4.34Å; L80-F84 HydrophobicContact CD1-CE2 3.93Å; L80-F84 HydrophobicContact CD1-CZ 3.87Å; L80-F84 HydrophobicContact CD2-CE2 4.36Å; L80-F84 HydrophobicContact CG-CD2 4.46Å; L80-F84 HydrophobicContact CG-CE2 3.81Å; L80-F84 HydrophobicContact CG-CZ 4.27Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 3.2Å; G81-F84 PolarHBondContact O-N 2.92Å; F82-F84 VanDerWaalsContact C-N 3.26Å; F82-F84 PolarHBondContact O-N 3Å; F84-L88 WeakPolarHBondContact O-CD1 3.47Å; F84-L88 VanDerWaalsContact O-CG 3.28Å; F84-L88 WeakPolarHBondContact O-CG 3.44Å
85W93.1Very high92.8Very high14 Ų1456.4 Ų56.45%0.05330%0.303CS..Hα-helixtrans-68.4-40.8-175.7177.993.3000113H17 W21 I24 G81 F82 L88 Q89 Y392 F400H17-W85 AromaticContact CE1-CD1 3.8Å; H17-W85 AromaticContact CE1-NE1 3.75Å; H17-W85 AromaticContact ND1-CD1 3.81Å; W21-W85 AromaticContact CE2-NE1 3.95Å; W21-W85 AromaticContact NE1-CD1 3.74Å; W21-W85 AromaticContact NE1-NE1 3.49Å; I24-W85 HydrophobicContact CD1-CB 3.69Å; I24-W85 HydrophobicContact CD1-CG 3.95Å; G81-W85 VanDerWaalsContact O-CB 3.24Å; G81-W85 WeakPolarHBondContact O-CB 3.44Å; G81-W85 PolarHBondContact O-N 2.9Å; F82-W85 HydrophobicContact CD2-CE3 4.14Å; F82-W85 HydrophobicContact CE2-CE3 4.13Å; F82-W85 HydrophobicContact CE2-CZ3 4.12Å; F82-W85 PolarHBondContact O-N 2.85Å; W85-L88 WeakPolarHBondContact O-CB 3.39Å; W85-L88 PolarHBondContact O-N 2.86Å; W85-Q89 HydrophobicContact CD2-CG 4.14Å; W85-Q89 HydrophobicContact CE3-CG 4.17Å; W85-Q89 HydrophobicContact CH2-CG 3.85Å; W85-Q89 HydrophobicContact CZ2-CG 3.84Å; W85-Q89 HydrophobicContact CZ3-CG 4Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.16Å; W85-Q89 WeakPolarHBondContact O-CG 3.27Å; W85-Q89 PolarHBondContact O-N 3.05Å; W85-Q89 PolarHBondContact O-NE2 3.27Å; W85-Y392 HydrophobicContact CZ2-CD1 4.2Å; W85-Y392 HydrophobicContact CZ2-CG 4.38Å; W85-F400 HydrophobicContact CH2-CZ 4.09Å; W85-F400 AromaticContact CZ3-CE2 3.99Å; W85-F400 HydrophobicContact CZ3-CE2 3.99Å; W85-F400 AromaticContact CZ3-CZ 3.62Å; W85-F400 HydrophobicContact CZ3-CZ 3.62Å
86S89.9Confident92.7Very high44 Ų4452.7 Ų52.731%0.30828%0.283SS..Hα-helixtrans-63.5-50.2-172.4169.20000112.8F82 L88 Q89F82-S86 WeakPolarHBondContact O-CB 3.46Å; F82-S86 PolarHBondContact O-N 2.66Å; S86-L88 VanDerWaalsContact C-N 3.25Å; S86-L88 PolarHBondContact O-N 3.32Å; S86-Q89 PolarHBondContact O-N 3.41Å
87P90.3Very high92.7Very high84 Ų8450 Ų5055%0.54526%0.262SS..Hα-helixtrans-63.1-30.3176.5-22.733.9000113.3L83 Q89 S90L83-P87 WeakPolarHBondContact O-CD 3.48Å; L83-P87 WeakPolarHBondContact O-CG 3.29Å; P87-Q89 PolarHBondContact O-N 2.94Å; P87-S90 PolarHBondContact O-N 2.94Å; P87-S90 PolarHBondContact O-OG 2.85Å
88L90.6Very high92.5Very high9 Ų945.4 Ų45.45%0.04725%0.245CC..Hα-helixtrans-62.3-28.6178.1-74.6173.2000112.5F8 L13 L16 H17 F84 W85 S86 S90 A91 R92F8-L88 HydrophobicContact CE1-CB 4.16Å; F8-L88 WeakPolarHBondContact CE1-O 3.45Å; F8-L88 HydrophobicContact CZ-CB 4.39Å; L13-L88 HydrophobicContact CB-CD2 4.13Å; L13-L88 HydrophobicContact CD2-CD2 3.48Å; L13-L88 VanDerWaalsContact CD2-CD2 3.48Å; L13-L88 HydrophobicContact CG-CD2 4.37Å; L16-L88 HydrophobicContact CB-CD1 4.17Å; L16-L88 HydrophobicContact CD2-CD1 4.25Å; L16-L88 HydrophobicContact CD2-CD2 4.12Å; L16-L88 HydrophobicContact CD2-CG 4.36Å; L16-L88 HydrophobicContact CG-CD1 3.97Å; H17-L88 HydrophobicContact CB-CD1 3.93Å; F84-L88 WeakPolarHBondContact O-CD1 3.47Å; F84-L88 VanDerWaalsContact O-CG 3.28Å; F84-L88 WeakPolarHBondContact O-CG 3.44Å; W85-L88 WeakPolarHBondContact O-CB 3.39Å; W85-L88 PolarHBondContact O-N 2.86Å; S86-L88 VanDerWaalsContact C-N 3.25Å; S86-L88 PolarHBondContact O-N 3.32Å; L88-S90 PolarHBondContact O-N 3.41Å; L88-A91 PolarHBondContact O-N 3.33Å; L88-A91 VanDerWaalsContact O-N 3.12Å; L88-R92 PolarHBondContact O-N 3.27Å
89Q89.1Confident92.3Very high4 Ų450.7 Ų50.72%0.01926%0.262CS..G310 helixtrans-66.3-26.1-175.6-54.7-42.2-54.300112.9W85 S86 P87 A91 R92 Y392W85-Q89 HydrophobicContact CD2-CG 4.14Å; W85-Q89 HydrophobicContact CE3-CG 4.17Å; W85-Q89 HydrophobicContact CH2-CG 3.85Å; W85-Q89 HydrophobicContact CZ2-CG 3.84Å; W85-Q89 HydrophobicContact CZ3-CG 4Å; W85-Q89 VanDerWaalsContact NE1-NE2 3.16Å; W85-Q89 WeakPolarHBondContact O-CG 3.27Å; W85-Q89 PolarHBondContact O-N 3.05Å; W85-Q89 PolarHBondContact O-NE2 3.27Å; S86-Q89 PolarHBondContact O-N 3.41Å; P87-Q89 PolarHBondContact O-N 2.94Å; Q89-A91 PolarHBondContact O-N 3.2Å; Q89-R92 WeakPolarHBondContact O-CB 3.33Å; Q89-R92 PolarHBondContact O-N 2.87Å; Q89-Y392 VanDerWaalsContact CB-O 3.3Å; Q89-Y392 WeakPolarHBondContact CB-O 3.4Å
90S86.1Confident91.7Very high85 Ų8548.4 Ų48.459%0.59426%0.255SS*.G310 helixtrans-67.5-25.617669.40000113.3P87 L88P87-S90 PolarHBondContact O-N 2.94Å; P87-S90 PolarHBondContact O-OG 2.85Å; L88-S90 PolarHBondContact O-N 3.41Å
91A89.9Confident90.2Very high39 Ų3952 Ų5232%0.32227%0.27SS..G310 helixtrans-98.52.3176.700000112.8P9 L13 L88 Q89P9-A91 WeakPolarHBondContact CD-O 3.32Å; L13-A91 HydrophobicContact CD1-CB 4.14Å; L88-A91 PolarHBondContact O-N 3.33Å; L88-A91 VanDerWaalsContact O-N 3.12Å; Q89-A91 PolarHBondContact O-N 3.2Å
92R90.4Very high88.2Confident27 Ų2756.3 Ų56.310%0.10229%0.293CS..  trans-75.2136.6179.5-164-173-172.973-3.1110F8 L88 Q89 D388 Y392F8-R92 HydrophobicContact CD1-CB 4.48Å; F8-R92 HydrophobicContact CE1-CB 3.9Å; F8-R92 HydrophobicContact CE1-CG 4.07Å; F8-R92 VanDerWaalsContact CE2-NH1 3.29Å; F8-R92 HydrophobicContact CZ-CB 4.5Å; F8-R92 HydrophobicContact CZ-CG 4.27Å; L88-R92 PolarHBondContact O-N 3.27Å; Q89-R92 WeakPolarHBondContact O-CB 3.33Å; Q89-R92 PolarHBondContact O-N 2.87Å; R92-D388 IonicContact CZ-OD2 3.51Å; R92-D388 IonicContact NE-OD2 2.74Å; R92-D388 IonicContact NH2-OD2 2.94Å; R92-D388 PolarHBondContact NH2-OD2 3.34Å; R92-Y392 VanDerWaalsContact CD-CD2 3.48Å
93R91.5Very high85.8Confident60 Ų6062.5 Ų62.523%0.22632%0.32CS..  trans-73.9148.7171.4-71.7156165.8-1671.6110.5Y4 T6 P7 Y95Y4-R93 HydrophobicContact CD1-CG 4.12Å; Y4-R93 HydrophobicContact CD2-CB 3.9Å; Y4-R93 HydrophobicContact CD2-CG 4.05Å; Y4-R93 HydrophobicContact CE1-CG 4.44Å; Y4-R93 HydrophobicContact CE2-CB 4.46Å; Y4-R93 HydrophobicContact CE2-CG 4.38Å; Y4-R93 HydrophobicContact CG-CB 4.06Å; Y4-R93 HydrophobicContact CG-CG 3.92Å; T6-R93 WeakPolarHBondContact O-CD 3.12Å; T6-R93 PolarHBondContact O-NH1 3.17Å; T6-R93 PolarHBondContact OG1-NH1 3.33Å; P7-R93 PolarHBondContact O-N 2.71Å; R93-Y95 PolarHBondContact O-N 3.04Å
94P90.4Very high83.3Confident45 Ų4560.1 Ų60.129%0.29232%0.317SS..SBendtrans-72.9-8.5-171.327.9-35.4000114.6Y4 V389 G390Y4-P94 HydrophobicContact CE2-CG 4.33Å; P94-V389 CarbonylContact O-C 3.52Å; P94-V389 VanDerWaalsContact O-CA 3.25Å; P94-V389 WeakPolarHBondContact O-CA 3.4Å; P94-G390 PolarHBondContact O-N 3.33Å
95Y93.5Very high80.9Confident3 Ų365 Ų651%0.01235%0.346CS..  trans-162.2170.3178.358.7-96.6000110.6Y4 R93 L386 V418Y4-Y95 HydrophobicContact CD2-CD1 4.48Å; Y4-Y95 HydrophobicContact CD2-CD2 4.41Å; Y4-Y95 AromaticContact CD2-CE1 3.84Å; Y4-Y95 HydrophobicContact CD2-CE1 3.84Å; Y4-Y95 AromaticContact CD2-CE2 3.79Å; Y4-Y95 HydrophobicContact CD2-CE2 3.79Å; Y4-Y95 AromaticContact CD2-CZ 3.44Å; Y4-Y95 VanDerWaalsContact CD2-CZ 3.44Å; Y4-Y95 WeakPolarHBondContact CD2-OH 3.42Å; Y4-Y95 HydrophobicContact CE2-CE1 4.1Å; Y4-Y95 AromaticContact CE2-CZ 3.93Å; Y4-Y95 HydrophobicContact CG-CE2 4.29Å; R93-Y95 PolarHBondContact O-N 3.04Å; Y95-L386 HydrophobicContact CD2-CD2 3.43Å; Y95-L386 VanDerWaalsContact CD2-CD2 3.43Å; Y95-L386 HydrophobicContact CE2-CD2 3.81Å; Y95-L386 HydrophobicContact CG-CD2 4.22Å; Y95-V418 HydrophobicContact CD1-CG1 4.37Å; Y95-V418 HydrophobicContact CD1-CG2 4.26Å; Y95-V418 HydrophobicContact CE1-CB 4.48Å; Y95-V418 HydrophobicContact CE1-CG1 3.55Å; Y95-V418 HydrophobicContact CE1-CG2 4.13Å; Y95-V418 HydrophobicContact CE2-CG1 3.75Å; Y95-V418 WeakPolarHBondContact OH-CG1 3.39Å
96I94.6Very high78.2Confident11 Ų1168.8 Ų68.86%0.05638%0.38CS..EExtended strand (participates in β ladder)trans-124123.8170.3-52.4171.4000109.6Y4 T5 P7 L386 Y387 D388Y4-I96 CarbonylContact O-C 3.49Å; Y4-I96 WeakPolarHBondContact O-CA 3.17Å; T5-I96 WeakPolarHBondContact O-CG2 3.47Å; P7-I96 HydrophobicContact CB-CD1 3.96Å; P7-I96 HydrophobicContact CB-CG1 4.21Å; P7-I96 HydrophobicContact CG-CD1 4.18Å; I96-L386 WeakPolarHBondContact O-CA 3.45Å; I96-Y387 HydrophobicContact CB-CD1 4.11Å; I96-Y387 HydrophobicContact CB-CE1 3.63Å; I96-Y387 HydrophobicContact CB-CE2 4.42Å; I96-Y387 HydrophobicContact CD1-CE2 4.01Å; I96-Y387 HydrophobicContact CG2-CD1 4.39Å; I96-Y387 HydrophobicContact CG2-CE1 3.5Å; I96-Y387 VanDerWaalsContact CG2-CE1 3.5Å; I96-Y387 PolarHBondContact N-O 3.45Å; I96-Y387 VanDerWaalsContact O-CD1 3.32Å; I96-Y387 WeakPolarHBondContact O-CD1 3.39Å; I96-Y387 PolarHBondContact O-N 2.78Å; I96-D388 HydrophobicContact CD1-CB 3.89Å; I96-D388 WeakPolarHBondContact CD1-OD2 3.47Å; I96-D388 HydrophobicContact CG1-CB 4.15Å
97Y95.3Very high75.6Confident29 Ų2969.1 Ų69.111%0.11439%0.39CS..EExtended strand (participates in β ladder)trans-91.8123.9172.2174.3-113.4000110.5L3 Y4 T5 R99 Y384 L386 I415L3-Y97 HydrophobicContact CB-CD1 3.77Å; L3-Y97 HydrophobicContact CB-CE1 4.29Å; L3-Y97 HydrophobicContact CB-CG 3.96Å; L3-Y97 HydrophobicContact CD1-CD1 4.02Å; L3-Y97 HydrophobicContact CD1-CD2 4.01Å; L3-Y97 HydrophobicContact CD1-CE1 3.85Å; L3-Y97 HydrophobicContact CD1-CE2 3.85Å; L3-Y97 HydrophobicContact CD1-CG 4.07Å; Y4-Y97 WeakPolarHBondContact O-CB 3.34Å; Y4-Y97 PolarHBondContact O-N 3.12Å; T5-Y97 WeakPolarHBondContact CA-O 3.19Å; T5-Y97 HydrophobicContact CG2-CD1 4.02Å; Y97-R99 HydrophobicContact CE1-CB 4.08Å; Y97-Y384 HydrophobicContact CE2-CD1 4.06Å; Y97-Y384 AromaticContact CZ-CD1 3.98Å; Y97-Y384 WeakPolarHBondContact OH-CD1 3.29Å; Y97-Y384 WeakPolarHBondContact OH-CE1 3.49Å; Y97-L386 HydrophobicContact CD2-CD2 3.97Å; Y97-L386 HydrophobicContact CD2-CG 4.34Å; Y97-L386 HydrophobicContact CG-CD2 4.3Å; Y97-I415 HydrophobicContact CD2-CD1 4.44Å; Y97-I415 HydrophobicContact CE2-CD1 4.28Å
98S94Very high73.1Confident25 Ų2567.7 Ų67.718%0.17539%0.391CS..EExtended strand (participates in β ladder)trans-118.7121.9177.3-168.50000108.4H379 I385S98-H379 PolarHBondContact OG-NE2 2.88Å; S98-I385 PolarHBondContact N-O 3.03Å; S98-I385 PolarHBondContact O-N 3.08Å
99R91.6Very high70.7Confident125 Ų12570.5 Ų70.547%0.47242%0.415SS..EExtended strand (participates in β ladder)trans-114.4130.1172.2-173.2-176.3-178.4179.73.1108.6Y97 E101 E383 Y384Y97-R99 HydrophobicContact CE1-CB 4.08Å; R99-E101 PolarHBondContact O-N 2.78Å; R99-E383 WeakPolarHBondContact CA-O 3.22Å; R99-E383 HydrophobicContact CG-CG 4.18Å; R99-E383 IonicContact CZ-OE1 3.85Å; R99-E383 VanDerWaalsContact CZ-OE1 3.28Å; R99-E383 IonicContact NE-OE1 3.91Å; R99-E383 PolarHBondContact NE-OE1 2.88Å; R99-E383 IonicContact NH2-OE1 3.78Å; R99-E383 PolarHBondContact NH2-OE1 2.91Å; R99-Y384 HydrophobicContact CG-CD1 4.16Å; R99-Y384 HydrophobicContact CG-CE1 4.04Å; R99-Y384 PolarHBondContact NH2-OH 3.37Å
100L84.1Confident68.2Low84 Ų8474.6 Ų74.644%0.4445%0.449SS..  trans-79.3101.3170.1-17168.9000108.9D102 H379 E383L100-D102 PolarHBondContact O-N 2.84Å; L100-H379 HydrophobicContact CD2-CB 4.37Å; L100-H379 WeakPolarHBondContact CD2-O 3.13Å; L100-E383 PolarHBondContact N-O 2.85Å; L100-E383 VanDerWaalsContact N-O 3.08Å
101E63.4Low66.4Low154 Ų15477.4 Ų77.472%0.7246%0.457SS*.  trans-72.4112.6170-73.1-174.6166.500109.4R99 K103R99-E101 PolarHBondContact O-N 2.78Å; E101-K103 PolarHBondContact O-N 2.93Å
102D53.9Low64.9Low90 Ų9077.9 Ų77.948%0.48145%0.454SS..  trans-68.598.7176.6-143.1-5.7000108.6L100 G104 G108L100-D102 PolarHBondContact O-N 2.84Å; D102-G104 PolarHBondContact O-N 3.11Å; D102-G104 VanDerWaalsContact O-N 3.15Å; D102-G108 PolarHBondContact OD2-N 3.4Å
103K43.6Very low63.5Low211 Ų21180.9 Ų80.992%0.91748%0.479SS*.SBendtrans-68.4-0.1170.2-80.7-172.7177.1178.90112.8E101E101-K103 PolarHBondContact O-N 2.93Å
104G40.3Very low62.6Low39 Ų3983.1 Ų83.140%0.40249%0.492SS..SBendtrans-123102174.200000110.6D102 A106D102-G104 PolarHBondContact O-N 3.11Å; D102-G104 VanDerWaalsContact O-N 3.15Å; G104-A106 VanDerWaalsContact C-N 3.32Å; G104-A106 PolarHBondContact O-N 3.39Å
105L43Very low62.4Low184 Ų18482 Ų8296%0.96348%0.482SS*.THydrogen-bonded Turntrans-56.491.7164.3-161.494.2000109.3
106A37Very low62Low93 Ų9385.6 Ų85.677%0.76950%0.498SS*.THydrogen-bonded Turntrans174.6-7.8158.700000117G104G104-A106 VanDerWaalsContact C-N 3.32Å; G104-A106 PolarHBondContact O-N 3.39Å
107G35Very low61.1Low51 Ų5185.5 Ų85.553%0.52650%0.5SS..SBendtrans-113.3-58.5-16200000118.2
108G37.8Very low60.1Low54 Ų5488 Ų8856%0.55752%0.518SS*.SBendtrans-100-46.6-162.900000115.3D102 A110D102-G108 PolarHBondContact OD2-N 3.4Å; G108-A110 PolarHBondContact O-N 2.83Å
109A39.6Very low59.1Low68 Ų6889 Ų8956%0.56253%0.532SS*.G310 helixtrans-79.4-16.1-175.100000114.1L111A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.82Å
110A38Very low58.2Low89 Ų8987.9 Ų87.974%0.73654%0.541SS*.G310 helixtrans-79.4-4.2-175.400000114.6G108G108-A110 PolarHBondContact O-N 2.83Å
111L46.8Very low58.2Low144 Ų14485.5 Ų85.575%0.75454%0.537SS*.G310 helixtrans-104.7-10.2-168.9-102.4167.4000115.9A109 S113A109-L111 VanDerWaalsContact C-N 3.3Å; A109-L111 PolarHBondContact O-N 2.82Å; L111-S113 PolarHBondContact O-N 3.42Å
112L58.8Low59.5Low49 Ų4980.2 Ų80.226%0.25751%0.512SS..SBendtrans-90.696.8167.2-60.6-176.5000107.9E114 R412 Y413L112-E114 PolarHBondContact O-N 2.74Å; L112-R412 HydrophobicContact CD1-CB 3.92Å; L112-R412 WeakPolarHBondContact CD1-O 3.42Å; L112-R412 VanDerWaalsContact CD2-CZ 3.42Å; L112-Y413 HydrophobicContact CD1-CD1 4.18Å; L112-Y413 HydrophobicContact CD1-CE1 3.89Å; L112-Y413 HydrophobicContact CD1-CE2 4.41Å
113S60.8Low61.4Low90 Ų9077.7 Ų77.763%0.62950%0.501SS*.  trans-52.7120.8164.151.30000107.9L111 W115L111-S113 PolarHBondContact O-N 3.42Å; S113-W115 PolarHBondContact O-N 2.8Å
114E73.4Confident64Low108 Ų10867.7 Ų67.751%0.50546%0.458SS..  trans-55.1114.1177.6-170.7-178.2-163.300107.8L112 K116 S446L112-E114 PolarHBondContact O-N 2.74Å; E114-K116 VanDerWaalsContact CD-NZ 3.31Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 IonicContact OE1-NZ 2.73Å; E114-K116 WeakPolarHBondContact OE2-CE 3.25Å; E114-K116 IonicContact OE2-NZ 2.9Å; E114-K116 PolarHBondContact OE2-NZ 2.92Å; E114-S446 WeakPolarHBondContact OE1-CB 3.39Å; E114-S446 PolarHBondContact OE1-OG 2.8Å
115W85.1Confident66.7Low22 Ų2265.9 Ų65.98%0.08344%0.439CS..BIsolated β-bridgetrans-68.9123.1-176.8176.242.7000108.7S113 K122 F124 V444 G445 S446 I453 A503 W620 V648S113-W115 PolarHBondContact O-N 2.8Å; W115-K122 HydrophobicContact CB-CD 4.44Å; W115-K122 HydrophobicContact CB-CG 4.42Å; W115-K122 HydrophobicContact CD2-CB 3.66Å; W115-K122 HydrophobicContact CD2-CG 3.94Å; W115-K122 VanDerWaalsContact CE2-CB 3.44Å; W115-K122 HydrophobicContact CE3-CB 4.27Å; W115-K122 HydrophobicContact CE3-CG 4.31Å; W115-K122 HydrophobicContact CG-CB 3.91Å; W115-K122 HydrophobicContact CG-CD 4.31Å; W115-K122 HydrophobicContact CG-CG 3.97Å; W115-K122 HydrophobicContact CH2-CB 4.44Å; W115-K122 HydrophobicContact CZ2-CB 3.88Å; W115-F124 HydrophobicContact CD2-CZ 4.42Å; W115-F124 HydrophobicContact CE3-CE2 4.03Å; W115-F124 AromaticContact CE3-CZ 3.57Å; W115-F124 HydrophobicContact CE3-CZ 3.57Å; W115-F124 HydrophobicContact CH2-CE2 4.23Å; W115-F124 AromaticContact CZ3-CE2 3.65Å; W115-F124 HydrophobicContact CZ3-CE2 3.65Å; W115-F124 AromaticContact CZ3-CZ 3.64Å; W115-F124 HydrophobicContact CZ3-CZ 3.64Å; W115-V444 HydrophobicContact CE3-CG2 4.22Å; W115-V444 HydrophobicContact CZ3-CG2 4.25Å; W115-G445 VanDerWaalsContact O-CA 3.25Å; W115-G445 WeakPolarHBondContact O-CA 3.41Å; W115-S446 PolarHBondContact O-N 3.47Å; W115-I453 HydrophobicContact CD2-CD1 4.15Å; W115-I453 HydrophobicContact CE3-CB 4.49Å; W115-I453 HydrophobicContact CE3-CD1 3.89Å; W115-I453 HydrophobicContact CE3-CG2 3.91Å; W115-I453 HydrophobicContact CH2-CG2 4.32Å; W115-I453 HydrophobicContact CZ3-CD1 4.22Å; W115-I453 HydrophobicContact CZ3-CG2 3.5Å; W115-I453 VanDerWaalsContact CZ3-CG2 3.5Å; W115-A503 HydrophobicContact CH2-CB 4.13Å; W115-A503 HydrophobicContact CZ3-CB 3.76Å; W115-W620 HydrophobicContact CH2-CD2 4.46Å; W115-W620 HydrophobicContact CH2-CE3 4.23Å; W115-W620 HydrophobicContact CH2-CH2 4.25Å; W115-W620 HydrophobicContact CH2-CZ2 4.44Å; W115-W620 HydrophobicContact CH2-CZ3 4.13Å; W115-W620 HydrophobicContact CZ3-CZ3 4.47Å; W115-V648 HydrophobicContact CH2-CB 3.93Å; W115-V648 HydrophobicContact CH2-CG1 3.69Å; W115-V648 HydrophobicContact CZ2-CB 4.38Å; W115-V648 HydrophobicContact CZ2-CG1 4.27Å
116K84.9Confident69.4Low78 Ų7857.3 Ų57.334%0.33939%0.394SS..  trans-86.7-1.3-176.2-66.5-58.8-177.4-173.80115E114 T118 S446 T447 P448E114-K116 VanDerWaalsContact CD-NZ 3.31Å; E114-K116 PolarHBondContact O-N 3.31Å; E114-K116 IonicContact OE1-NZ 2.73Å; E114-K116 WeakPolarHBondContact OE2-CE 3.25Å; E114-K116 IonicContact OE2-NZ 2.9Å; E114-K116 PolarHBondContact OE2-NZ 2.92Å; K116-T118 PolarHBondContact O-N 3.2Å; K116-S446 CarbonylContact C-O 3.59Å; K116-S446 WeakPolarHBondContact CA-O 3.25Å; K116-S446 WeakPolarHBondContact CD-O 3.47Å; K116-S446 PolarHBondContact NZ-OG 3.32Å; K116-T447 WeakPolarHBondContact O-CA 3.25Å; K116-P448 VanDerWaalsContact O-CD 3.31Å; K116-P448 WeakPolarHBondContact O-CD 3.41Å
117G76.8Confident72.3Confident9 Ų952.9 Ų52.99%0.09336%0.358CS..SBendtrans65.3-8.3-177.200000115.3
118T73.3Confident75.3Confident80 Ų8050.5 Ų50.549%0.49133%0.333SS..SBendtrans-114.6134.9174.859.10000110.1K116 P448K116-T118 PolarHBondContact O-N 3.2Å; T118-P448 HydrophobicContact CG2-CG 3.76Å
119G74.3Confident78.2Confident47 Ų4747.9 Ų47.949%0.48531%0.306SS..SBendtrans102.8-149.4178.400000113G121G119-G121 PolarHBondContact O-N 2.9Å
120P73.3Confident81Confident101 Ų10144.7 Ų44.766%0.65628%0.279SS*.SBendtrans-61.7137.6-174.726.3-33.2000110.4
121G82.8Confident83.9Confident35 Ų3540.4 Ų40.436%0.36124%0.244SC..  trans-52.9156.5178.900000113.5G119 V648G119-G121 PolarHBondContact O-N 2.9Å; G121-V648 CarbonylContact C-O 3.05Å; G121-V648 WeakPolarHBondContact CA-O 3.38Å
122K91.9Very high86.2Confident43 Ų4333.6 Ų33.619%0.18721%0.208CC..EExtended strand (participates in β ladder)trans-113.8129.3-178.5-177.171.1178-166.20110.1W115 F124 Y413 V648W115-K122 HydrophobicContact CB-CD 4.44Å; W115-K122 HydrophobicContact CB-CG 4.42Å; W115-K122 HydrophobicContact CD2-CB 3.66Å; W115-K122 HydrophobicContact CD2-CG 3.94Å; W115-K122 VanDerWaalsContact CE2-CB 3.44Å; W115-K122 HydrophobicContact CE3-CB 4.27Å; W115-K122 HydrophobicContact CE3-CG 4.31Å; W115-K122 HydrophobicContact CG-CB 3.91Å; W115-K122 HydrophobicContact CG-CD 4.31Å; W115-K122 HydrophobicContact CG-CG 3.97Å; W115-K122 HydrophobicContact CH2-CB 4.44Å; W115-K122 HydrophobicContact CZ2-CB 3.88Å; K122-F124 HydrophobicContact CB-CE2 4.17Å; K122-F124 HydrophobicContact CB-CZ 4.35Å; K122-F124 HydrophobicContact CG-CD2 4.45Å; K122-F124 HydrophobicContact CG-CE1 4.08Å; K122-F124 HydrophobicContact CG-CE2 3.79Å; K122-F124 HydrophobicContact CG-CZ 3.58Å; K122-Y413 WeakPolarHBondContact CE-OH 3.44Å; K122-V648 PolarHBondContact N-O 2.87Å; K122-V648 PolarHBondContact O-N 2.96Å
123S93.8Very high88Confident37 Ų3731.2 Ų31.226%0.25920%0.196SC..EExtended strand (participates in β ladder)trans-91.8136.9171.9-46.90000111.2E625 L646 T647S123-E625 VanDerWaalsContact CB-OE2 3.29Å; S123-E625 WeakPolarHBondContact CB-OE2 3.45Å; S123-E625 PolarHBondContact OG-OE2 2.84Å; S123-L646 CarbonylContact C-O 3.44Å; S123-L646 VanDerWaalsContact CA-O 3.23Å; S123-L646 WeakPolarHBondContact CA-O 3.27Å; S123-T647 PolarHBondContact OG-OG1 3.28Å
124F96.8Very high89.6Confident0 Ų028 Ų280%017%0.171CC..EExtended strand (participates in β ladder)trans-117.9133.9172.7-64.2-76.8000109.9W115 K122 F126 D358 F359 Y413 V444 A503 F504 R645 L646 V648W115-F124 HydrophobicContact CD2-CZ 4.42Å; W115-F124 HydrophobicContact CE3-CE2 4.03Å; W115-F124 AromaticContact CE3-CZ 3.57Å; W115-F124 HydrophobicContact CE3-CZ 3.57Å; W115-F124 HydrophobicContact CH2-CE2 4.23Å; W115-F124 AromaticContact CZ3-CE2 3.65Å; W115-F124 HydrophobicContact CZ3-CE2 3.65Å; W115-F124 AromaticContact CZ3-CZ 3.64Å; W115-F124 HydrophobicContact CZ3-CZ 3.64Å; K122-F124 HydrophobicContact CB-CE2 4.17Å; K122-F124 HydrophobicContact CB-CZ 4.35Å; K122-F124 HydrophobicContact CG-CD2 4.45Å; K122-F124 HydrophobicContact CG-CE1 4.08Å; K122-F124 HydrophobicContact CG-CE2 3.79Å; K122-F124 HydrophobicContact CG-CZ 3.58Å; F124-F126 HydrophobicContact CB-CE2 3.65Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 WeakPolarHBondContact O-CE2 3.42Å; F124-D358 WeakPolarHBondContact CA-OD2 3.49Å; F124-F359 HydrophobicContact CB-CE2 4.36Å; F124-F359 HydrophobicContact CD1-CE2 4.12Å; F124-Y413 HydrophobicContact CD1-CE2 4.15Å; F124-Y413 HydrophobicContact CE1-CE2 4.12Å; F124-Y413 AromaticContact CE1-CZ 3.95Å; F124-V444 HydrophobicContact CD1-CG1 4.47Å; F124-V444 HydrophobicContact CE1-CB 3.65Å; F124-V444 HydrophobicContact CE1-CG1 3.87Å; F124-V444 HydrophobicContact CE1-CG2 4.16Å; F124-V444 HydrophobicContact CZ-CB 3.81Å; F124-V444 HydrophobicContact CZ-CG1 4.36Å; F124-V444 HydrophobicContact CZ-CG2 3.81Å; F124-A503 HydrophobicContact CE2-CB 4.43Å; F124-F504 HydrophobicContact CB-CD1 4.34Å; F124-F504 HydrophobicContact CB-CE1 4.13Å; F124-F504 AromaticContact CD1-CE1 3.8Å; F124-F504 HydrophobicContact CD1-CE1 3.8Å; F124-F504 AromaticContact CD2-CD1 3.7Å; F124-F504 HydrophobicContact CD2-CD1 3.7Å; F124-F504 AromaticContact CD2-CE1 3.71Å; F124-F504 HydrophobicContact CD2-CE1 3.71Å; F124-F504 HydrophobicContact CE1-CE1 4.11Å; F124-F504 HydrophobicContact CE2-CD1 4.11Å; F124-F504 HydrophobicContact CE2-CE1 4.01Å; F124-F504 AromaticContact CG-CD1 3.95Å; F124-F504 HydrophobicContact CG-CD1 3.95Å; F124-F504 AromaticContact CG-CE1 3.58Å; F124-F504 HydrophobicContact CG-CE1 3.58Å; F124-F504 HydrophobicContact CZ-CE1 4.19Å; F124-R645 CarbonylContact O-C 3.51Å; F124-R645 VanDerWaalsContact O-CA 3.3Å; F124-R645 WeakPolarHBondContact O-CA 3.32Å; F124-L646 PolarHBondContact N-O 3.43Å; F124-L646 PolarHBondContact O-N 3.09Å; F124-V648 HydrophobicContact CD2-CG2 3.94Å; F124-V648 HydrophobicContact CE2-CB 4.46Å; F124-V648 HydrophobicContact CE2-CG2 4.05Å
125C97.8Very high90.5Very high1 Ų123.1 Ų23.11%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-114.4128.2-176.7-170.90000112.3P354 N356 L357 D358 F359C125-P354 VanDerWaalsContact SG-CB 3.59Å; C125-P354 WeakPolarHBondContact SG-CG 3.23Å; C125-N356 WeakPolarHBondContact CB-O 3.3Å; C125-L357 HydrophobicContact CB-CD1 4.4Å; C125-D358 PolarHBondContact N-OD2 3.21Å; C125-D358 WeakPolarHBondContact O-CA 3.36Å; C125-D358 WeakPolarHBondContact O-CB 3.25Å; C125-D358 PolarHBondContact O-N 3.02Å; C125-F359 PolarHBondContact O-N 3.4Å
126F98.8Very high90.7Very high4 Ų422.3 Ų22.32%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-119.3141.4-176.1-52.7-94.5000109.3F124 F359 I457 F504 V506 M609 A643 M644 L646F124-F126 HydrophobicContact CB-CE2 3.65Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 WeakPolarHBondContact O-CE2 3.42Å; F126-F359 CarbonylContact C-O 3.53Å; F126-F359 WeakPolarHBondContact CA-O 3.14Å; F126-F359 HydrophobicContact CD1-CB 3.85Å; F126-F359 AromaticContact CD1-CD2 3.49Å; F126-F359 HydrophobicContact CD1-CD2 3.49Å; F126-F359 VanDerWaalsContact CD1-CD2 3.49Å; F126-F359 HydrophobicContact CD1-CE2 4.4Å; F126-F359 AromaticContact CD1-CG 4Å; F126-F359 HydrophobicContact CD1-CG 4Å; F126-F359 HydrophobicContact CE1-CB 4.37Å; F126-F359 AromaticContact CE1-CD2 3.22Å; F126-F359 HydrophobicContact CE1-CD2 3.22Å; F126-F359 AromaticContact CE1-CE2 3.71Å; F126-F359 HydrophobicContact CE1-CE2 3.71Å; F126-F359 HydrophobicContact CE1-CG 4Å; F126-F359 HydrophobicContact CG-CD2 4.29Å; F126-F359 AromaticContact CZ-CD2 3.85Å; F126-F359 HydrophobicContact CZ-CD2 3.85Å; F126-F359 AromaticContact CZ-CE2 3.99Å; F126-F359 HydrophobicContact CZ-CE2 3.99Å; F126-I457 HydrophobicContact CD1-CD1 4.3Å; F126-I457 HydrophobicContact CE1-CD1 3.98Å; F126-I457 HydrophobicContact CE1-CG1 4.15Å; F126-F504 AromaticContact CE1-CD2 3.82Å; F126-F504 HydrophobicContact CE1-CD2 3.82Å; F126-F504 AromaticContact CE1-CE2 3.58Å; F126-F504 HydrophobicContact CE1-CE2 3.58Å; F126-F504 HydrophobicContact CE1-CG 4.48Å; F126-F504 HydrophobicContact CE1-CZ 4.05Å; F126-F504 AromaticContact CZ-CD1 4Å; F126-F504 HydrophobicContact CZ-CD1 4Å; F126-F504 AromaticContact CZ-CD2 3.56Å; F126-F504 HydrophobicContact CZ-CD2 3.56Å; F126-F504 HydrophobicContact CZ-CE1 4.05Å; F126-F504 AromaticContact CZ-CE2 3.62Å; F126-F504 HydrophobicContact CZ-CE2 3.62Å; F126-F504 AromaticContact CZ-CG 3.77Å; F126-F504 HydrophobicContact CZ-CG 3.77Å; F126-F504 AromaticContact CZ-CZ 3.87Å; F126-F504 HydrophobicContact CZ-CZ 3.87Å; F126-V506 HydrophobicContact CD1-CB 4.34Å; F126-V506 HydrophobicContact CD1-CG1 4.09Å; F126-V506 HydrophobicContact CD1-CG2 4.17Å; F126-V506 HydrophobicContact CD2-CG2 4.43Å; F126-V506 HydrophobicContact CE1-CB 4.28Å; F126-V506 HydrophobicContact CE1-CG2 3.87Å; F126-V506 HydrophobicContact CE2-CG2 4.17Å; F126-V506 HydrophobicContact CG-CG1 4.34Å; F126-V506 HydrophobicContact CG-CG2 4.45Å; F126-V506 HydrophobicContact CZ-CG2 3.88Å; F126-M609 HydrophobicContact CB-CE 4.07Å; F126-M609 HydrophobicContact CB-SD 3.79Å; F126-A643 CarbonylContact O-C 3.42Å; F126-A643 WeakPolarHBondContact O-CA 3.47Å; F126-A643 VanDerWaalsContact O-CB 3.25Å; F126-A643 WeakPolarHBondContact O-CB 3.45Å; F126-M644 PolarHBondContact N-O 3.34Å; F126-M644 PolarHBondContact O-N 3.49Å; F126-L646 HydrophobicContact CE2-CB 4.2Å; F126-L646 HydrophobicContact CE2-CD1 3.91Å; F126-L646 HydrophobicContact CE2-CG 4.06Å; F126-L646 HydrophobicContact CZ-CD1 4.48Å
127A98.8Very high91Very high1 Ų119.4 Ų19.41%0.00814%0.136CC..EExtended strand (participates in β ladder)trans-138.6146.3170.200000111.1F353 L357 F359 L360 C361 V642 A643A127-F353 HydrophobicContact CB-CD1 4.08Å; A127-F353 HydrophobicContact CB-CE1 4.03Å; A127-L357 HydrophobicContact CB-CD1 3.6Å; A127-L357 HydrophobicContact CB-CD2 3.99Å; A127-L357 HydrophobicContact CB-CG 4.46Å; A127-F359 PolarHBondContact N-O 3.5Å; A127-L360 HydrophobicContact CB-CD1 3.92Å; A127-L360 CarbonylContact O-C 3.36Å; A127-L360 WeakPolarHBondContact O-CA 3.37Å; A127-C361 PolarHBondContact O-N 3.28Å; A127-V642 CarbonylContact C-O 3.54Å; A127-V642 VanDerWaalsContact CA-O 3.28Å; A127-V642 WeakPolarHBondContact CA-O 3.4Å; A127-A643 HydrophobicContact CB-CB 3.95Å
128T98.8Very high91.7Very high0 Ų022.2 Ų22.20%015%0.149CC..EExtended strand (participates in β ladder)trans-125.2146.7169.7-167.90000110.9C361 Q363 C508 M609 P641 V642T128-C361 CarbonylContact C-O 3.52Å; T128-C361 WeakPolarHBondContact CA-O 3.5Å; T128-C361 PolarHBondContact OG1-O 2.78Å; T128-Q363 PolarHBondContact OG1-NE2 3.43Å; T128-Q363 PolarHBondContact OG1-OE1 2.92Å; T128-C508 HydrophobicContact CG2-CB 4.24Å; T128-M609 HydrophobicContact CG2-CE 3.87Å; T128-P641 CarbonylContact O-C 3.5Å; T128-P641 WeakPolarHBondContact O-CA 3.1Å; T128-P641 WeakPolarHBondContact O-CB 3.16Å; T128-V642 HydrophobicContact CG2-CB 4.17Å; T128-V642 PolarHBondContact N-O 3.3Å; T128-V642 PolarHBondContact O-N 2.83Å
129A98.2Very high92.7Very high0 Ų018.4 Ų18.40%013%0.125CC..EExtended strand (participates in β ladder)trans-155127.7174.100000112.8V131 C361 L362 Q363 P641A129-V131 HydrophobicContact CB-CG1 4.12Å; A129-V131 PolarHBondContact O-N 2.85Å; A129-C361 PolarHBondContact N-O 3.16Å; A129-L362 HydrophobicContact CB-CD2 3.79Å; A129-L362 VanDerWaalsContact O-CA 3.3Å; A129-L362 WeakPolarHBondContact O-CA 3.4Å; A129-Q363 PolarHBondContact O-N 3.44Å; A129-Q363 PolarHBondContact O-OE1 3.44Å; A129-Q363 VanDerWaalsContact O-OE1 3.13Å; A129-P641 HydrophobicContact CB-CB 3.72Å; A129-P641 HydrophobicContact CB-CG 3.73Å
130N98.3Very high93.6Very high0 Ų017.4 Ų17.40%011%0.107CC..EExtended strand (participates in β ladder)trans-75.8117.9159.7-170.1-18.9000109.2C132 Q363 E364 D510 T637 H639N130-C132 PolarHBondContact OD1-N 3.44Å; N130-C132 PolarHBondContact OD1-SG 2.98Å; N130-Q363 HydrophobicContact CB-CB 4.15Å; N130-E364 VanDerWaalsContact ND2-CD 3.29Å; N130-E364 WeakPolarHBondContact ND2-CG 3.46Å; N130-E364 PolarHBondContact ND2-OE1 3.45Å; N130-E364 VanDerWaalsContact OD1-CB 3.24Å; N130-E364 WeakPolarHBondContact OD1-CB 3.48Å; N130-E364 WeakPolarHBondContact OD1-CG 3.47Å; N130-D510 PolarHBondContact ND2-OD2 2.92Å; N130-T637 PolarHBondContact O-OG1 2.83Å; N130-H639 HydrophobicContact CB-CB 3.94Å
131V97.9Very high94.5Very high0 Ų017.9 Ų17.90%010%0.103CC..  trans-105.8-1-173.4-65.20000113.6A129 L133 R150 I154 L362 Q363 V365 L633A129-V131 HydrophobicContact CB-CG1 4.12Å; A129-V131 PolarHBondContact O-N 2.85Å; V131-L133 VanDerWaalsContact C-N 3.27Å; V131-L133 HydrophobicContact CB-CG 4.25Å; V131-L133 HydrophobicContact CG2-CB 4.44Å; V131-L133 HydrophobicContact CG2-CD1 3.88Å; V131-L133 HydrophobicContact CG2-CG 3.8Å; V131-L133 PolarHBondContact O-N 2.99Å; V131-L133 VanDerWaalsContact O-N 3.13Å; V131-R150 PolarHBondContact O-NH2 3.12Å; V131-I154 HydrophobicContact CB-CD1 4.19Å; V131-I154 HydrophobicContact CG1-CG2 4.01Å; V131-L362 HydrophobicContact CG1-CD2 4.01Å; V131-Q363 VanDerWaalsContact CG2-O 3.26Å; V131-Q363 WeakPolarHBondContact CG2-O 2.94Å; V131-Q363 PolarHBondContact N-O 2.63Å; V131-Q363 VanDerWaalsContact N-O 3.12Å; V131-V365 HydrophobicContact CG2-CG2 3.68Å; V131-L633 HydrophobicContact CG1-CD1 4.36Å
132C96Very high94.8Very high0 Ų018.3 Ų18.30%010%0.097CC..  trans42.950.6176.6-63.30000113.8N130 L134 L144 R150 E364 D638N130-C132 PolarHBondContact OD1-N 3.44Å; N130-C132 PolarHBondContact OD1-SG 2.98Å; C132-L134 HydrophobicContact CB-CD1 3.85Å; C132-L134 PolarHBondContact O-N 3.07Å; C132-L144 HydrophobicContact CB-CD1 3.59Å; C132-R150 PolarHBondContact O-NH1 3.25Å; C132-R150 PolarHBondContact O-NH2 3Å; C132-R150 VanDerWaalsContact O-NH2 3.09Å; C132-E364 WeakPolarHBondContact CA-OE2 3.26Å; C132-E364 PolarHBondContact SG-OE2 3.32Å; C132-D638 PolarHBondContact SG-OD1 2.85Å
133L96.6Very high94.9Very high0 Ų016.8 Ų16.80%09%0.091CC..  trans-9161.4176.8-65.7-179.6000110.3V131 T147 R150 A151 I154 E364 V365 F366 D367 A370 L374V131-L133 VanDerWaalsContact C-N 3.27Å; V131-L133 HydrophobicContact CB-CG 4.25Å; V131-L133 HydrophobicContact CG2-CB 4.44Å; V131-L133 HydrophobicContact CG2-CD1 3.88Å; V131-L133 HydrophobicContact CG2-CG 3.8Å; V131-L133 PolarHBondContact O-N 2.99Å; V131-L133 VanDerWaalsContact O-N 3.13Å; L133-T147 HydrophobicContact CB-CG2 4.08Å; L133-T147 HydrophobicContact CD2-CG2 3.9Å; L133-R150 HydrophobicContact CD2-CB 4.34Å; L133-A151 HydrophobicContact CD1-CB 3.69Å; L133-A151 HydrophobicContact CD2-CB 3.82Å; L133-A151 HydrophobicContact CG-CB 4.41Å; L133-I154 HydrophobicContact CD2-CD1 4.14Å; L133-E364 CarbonylContact C-O 3.54Å; L133-E364 WeakPolarHBondContact CA-O 3.29Å; L133-E364 WeakPolarHBondContact CB-O 3.48Å; L133-E364 PolarHBondContact N-O 2.79Å; L133-V365 HydrophobicContact CD1-CG1 4.43Å; L133-F366 PolarHBondContact O-N 2.74Å; L133-D367 PolarHBondContact O-N 2.56Å; L133-A370 HydrophobicContact CB-CB 4.37Å; L133-A370 HydrophobicContact CD1-CB 4.39Å; L133-L374 HydrophobicContact CD1-CD2 3.77Å
134L93.5Very high95Very high21 Ų2115 Ų1511%0.118%0.079CC..  trans-84.5164.8176.6-52.7114.4000111.2C132 L138 A139 T147 E364 F366C132-L134 HydrophobicContact CB-CD1 3.85Å; C132-L134 PolarHBondContact O-N 3.07Å; L134-L138 HydrophobicContact CB-CB 3.88Å; L134-L138 HydrophobicContact CD2-CB 4.19Å; L134-A139 HydrophobicContact CB-CB 4.3Å; L134-A139 HydrophobicContact CD1-CB 4.44Å; L134-T147 WeakPolarHBondContact O-CB 3.38Å; L134-T147 WeakPolarHBondContact O-CG2 3.37Å; L134-T147 PolarHBondContact O-OG1 3.05Å; L134-E364 WeakPolarHBondContact CD1-OE2 3.23Å; L134-F366 HydrophobicContact CD2-CD2 3.82Å; L134-F366 HydrophobicContact CD2-CE2 4.01Å; L134-F366 HydrophobicContact CG-CD2 3.98Å; L134-F366 HydrophobicContact CG-CE2 4.49Å
135P92.2Very high94.8Very high7 Ų717 Ų175%0.0459%0.087CC..  trans-45.2145.5160.1-25.233.4000111.2Y28 D32 S137 L138 A139Y28-P135 WeakPolarHBondContact OH-CB 3.46Å; Y28-P135 VanDerWaalsContact OH-CG 3.25Å; Y28-P135 WeakPolarHBondContact OH-CG 3.49Å; D32-P135 WeakPolarHBondContact OD1-CB 3.4Å; P135-S137 VanDerWaalsContact C-N 3.25Å; P135-S137 PolarHBondContact O-N 3.02Å; P135-L138 HydrophobicContact CG-CD1 4.22Å; P135-L138 PolarHBondContact O-N 3.11Å; P135-A139 PolarHBondContact O-N 3.26Å
136D90.8Very high94.5Very high5 Ų520.7 Ų20.73%0.02711%0.107CC..Hα-helixtrans-59.7-37.9-166.5-164.375.9000111.9D32 R33 L138 A139 R140 N146D32-D136 PolarHBondContact OD1-N 2.96Å; D32-D136 VanDerWaalsContact OD1-N 3.12Å; D32-D136 PolarHBondContact OD2-N 2.81Å; R33-D136 IonicContact NH1-OD2 2.83Å; D136-L138 PolarHBondContact O-N 3.36Å; D136-A139 PolarHBondContact O-N 3.38Å; D136-R140 WeakPolarHBondContact O-CD 3.46Å; D136-R140 WeakPolarHBondContact O-CG 3.34Å; D136-R140 PolarHBondContact O-N 3.33Å; D136-R140 VanDerWaalsContact O-N 3.12Å; D136-R140 IonicContact OD2-CZ 3.36Å; D136-R140 IonicContact OD2-NE 2.97Å; D136-R140 PolarHBondContact OD2-NE 2.77Å; D136-R140 IonicContact OD2-NH2 2.83Å; D136-N146 PolarHBondContact OD1-N 3.34Å
137S91.2Very high94.4Very high16 Ų1620.8 Ų20.811%0.11211%0.108CC..Hα-helixtrans-60.4-41.2174.953.90000113.6D32 P135D32-S137 VanDerWaalsContact OD1-CB 3.29Å; D32-S137 WeakPolarHBondContact OD1-CB 3.32Å; D32-S137 PolarHBondContact OD1-N 2.76Å; D32-S137 PolarHBondContact OD1-OG 3.17Å; P135-S137 VanDerWaalsContact C-N 3.25Å; P135-S137 PolarHBondContact O-N 3.02Å
138L91.8Very high94.2Very high69 Ų6924 Ų2436%0.36112%0.123SC..Hα-helixtrans-76.1-39.3178.4-65.3-177.2000111.5L134 P135 D136 R140 I141 L403L134-L138 HydrophobicContact CB-CB 3.88Å; L134-L138 HydrophobicContact CD2-CB 4.19Å; P135-L138 HydrophobicContact CG-CD1 4.22Å; P135-L138 PolarHBondContact O-N 3.11Å; D136-L138 PolarHBondContact O-N 3.36Å; L138-R140 PolarHBondContact O-N 3.4Å; L138-I141 HydrophobicContact CD2-CD1 3.95Å; L138-I141 WeakPolarHBondContact O-CB 3.39Å; L138-I141 PolarHBondContact O-N 3.03Å; L138-L403 HydrophobicContact CD1-CD1 4.43Å
139A93Very high94.2Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-57.5-34.517500000111.6L134 P135 D136 I141 N142 N143 L144L134-A139 HydrophobicContact CB-CB 4.3Å; L134-A139 HydrophobicContact CD1-CB 4.44Å; P135-A139 PolarHBondContact O-N 3.26Å; D136-A139 PolarHBondContact O-N 3.38Å; A139-I141 PolarHBondContact O-N 3.2Å; A139-N142 CarbonylContact O-C 3.5Å; A139-N142 PolarHBondContact O-N 2.74Å; A139-N142 VanDerWaalsContact O-N 3.09Å; A139-N143 PolarHBondContact O-N 3.09Å; A139-L144 CarbonylContact C-O 3.1Å; A139-L144 HydrophobicContact CB-CB 4.22Å; A139-L144 WeakPolarHBondContact O-CA 3.1Å; A139-L144 WeakPolarHBondContact O-CB 3.36Å; A139-L144 PolarHBondContact O-N 3.44Å
140R93.6Very high94.1Very high25 Ų2527.6 Ų27.69%0.09415%0.15CC..G310 helixtrans-66.2-22.1178.3-73.8163.3171.9-79.6-6114I39 T41 E44 D136 L138 N142 N143 L144 F145I39-R140 HydrophobicContact CB-CB 4.02Å; I39-R140 HydrophobicContact CG2-CB 3.67Å; I39-R140 WeakPolarHBondContact O-CD 3.38Å; I39-R140 PolarHBondContact O-NH1 3.02Å; I39-R140 VanDerWaalsContact O-NH1 3.09Å; T41-R140 HydrophobicContact CG2-CG 4.18Å; E44-R140 VanDerWaalsContact CD-NH1 3.27Å; E44-R140 IonicContact OE1-CZ 2.77Å; E44-R140 IonicContact OE1-NH1 2.9Å; E44-R140 PolarHBondContact OE1-NH1 3.3Å; E44-R140 IonicContact OE1-NH2 3.09Å; E44-R140 PolarHBondContact OE1-NH2 3.38Å; E44-R140 IonicContact OE2-CZ 2.79Å; E44-R140 IonicContact OE2-NH1 3.53Å; E44-R140 PolarHBondContact OE2-NH1 3.19Å; D136-R140 WeakPolarHBondContact O-CD 3.46Å; D136-R140 WeakPolarHBondContact O-CG 3.34Å; D136-R140 PolarHBondContact O-N 3.33Å; D136-R140 VanDerWaalsContact O-N 3.12Å; D136-R140 IonicContact OD2-CZ 3.36Å; D136-R140 IonicContact OD2-NE 2.97Å; D136-R140 PolarHBondContact OD2-NE 2.77Å; D136-R140 IonicContact OD2-NH2 2.83Å; L138-R140 PolarHBondContact O-N 3.4Å; R140-N142 VanDerWaalsContact C-N 3.29Å; R140-N143 WeakPolarHBondContact O-CA 3.45Å; R140-N143 PolarHBondContact O-N 2.78Å; R140-L144 WeakPolarHBondContact CA-O 3.41Å; R140-L144 VanDerWaalsContact CG-O 3.25Å; R140-L144 WeakPolarHBondContact CG-O 3.43Å; R140-L144 PolarHBondContact N-O 3.06Å; R140-F145 HydrophobicContact CG-CB 4.44Å
141I91Very high94.1Very high111 Ų11127.6 Ų27.657%0.56915%0.15SC*.G310 helixtrans-64.9-38.7172.7-58.7173.6000109.9I39 L138 A139 N143I39-I141 HydrophobicContact CD1-CG1 4.41Å; L138-I141 HydrophobicContact CD2-CD1 3.95Å; L138-I141 WeakPolarHBondContact O-CB 3.39Å; L138-I141 PolarHBondContact O-N 3.03Å; A139-I141 PolarHBondContact O-N 3.2Å; I141-N143 PolarHBondContact O-N 2.94Å
142N90.7Very high94.1Very high44 Ų4432.6 Ų32.624%0.23517%0.172CC..G310 helixtrans-83.918.4173.2-63.95.4000112.2A139 R140 L144 D638A139-N142 CarbonylContact O-C 3.5Å; A139-N142 PolarHBondContact O-N 2.74Å; A139-N142 VanDerWaalsContact O-N 3.09Å; R140-N142 VanDerWaalsContact C-N 3.29Å; N142-L144 HydrophobicContact CB-CD1 4.07Å; N142-L144 PolarHBondContact O-N 2.88Å; N142-D638 PolarHBondContact ND2-OD2 2.93Å
143N94.3Very high94.2Very high12 Ų1235.6 Ų35.66%0.06419%0.186CC..THydrogen-bonded Turntrans58.831.7-177.2-16334.6000113.9T41 T42 A139 R140 I141 T554 Y558T41-N143 WeakPolarHBondContact CA-OD1 3.35Å; T41-N143 WeakPolarHBondContact CB-OD1 3.48Å; T42-N143 PolarHBondContact N-OD1 3.28Å; T42-N143 PolarHBondContact OG1-ND2 2.9Å; A139-N143 PolarHBondContact O-N 3.09Å; R140-N143 WeakPolarHBondContact O-CA 3.45Å; R140-N143 PolarHBondContact O-N 2.78Å; I141-N143 PolarHBondContact O-N 2.94Å; N143-T554 PolarHBondContact ND2-O 3.44Å; N143-Y558 WeakPolarHBondContact O-CE2 3.43Å; N143-Y558 VanDerWaalsContact O-CZ 3.27Å; N143-Y558 PolarHBondContact O-OH 2.93Å
144L94.5Very high94.3Very high0 Ų035.6 Ų35.60%019%0.186CC..  trans-114.9151.4178.3-65.5158.3000111.1C132 A139 R140 N142 L557C132-L144 HydrophobicContact CB-CD1 3.59Å; A139-L144 CarbonylContact C-O 3.1Å; A139-L144 HydrophobicContact CB-CB 4.22Å; A139-L144 WeakPolarHBondContact O-CA 3.1Å; A139-L144 WeakPolarHBondContact O-CB 3.36Å; A139-L144 PolarHBondContact O-N 3.44Å; R140-L144 WeakPolarHBondContact CA-O 3.41Å; R140-L144 VanDerWaalsContact CG-O 3.25Å; R140-L144 WeakPolarHBondContact CG-O 3.43Å; R140-L144 PolarHBondContact N-O 3.06Å; N142-L144 HydrophobicContact CB-CD1 4.07Å; N142-L144 PolarHBondContact O-N 2.88Å; L144-L557 HydrophobicContact CD2-CD2 3.5Å; L144-L557 VanDerWaalsContact CD2-CD2 3.5Å; L144-L557 HydrophobicContact CG-CD2 4.11Å
145F92.4Very high94.6Very high40 Ų4034.6 Ų34.618%0.17518%0.18CC..  trans-144.4169.5176.868.2-76.1000111.4T41 Y43 R140 R150 Y558T41-F145 HydrophobicContact CG2-CB 4.13Å; T41-F145 HydrophobicContact CG2-CD1 3.97Å; T41-F145 HydrophobicContact CG2-CG 4.4Å; Y43-F145 HydrophobicContact CD1-CE1 4.18Å; Y43-F145 AromaticContact CD1-CZ 3.93Å; Y43-F145 HydrophobicContact CD1-CZ 3.93Å; Y43-F145 HydrophobicContact CE1-CZ 4.25Å; Y43-F145 HydrophobicContact CG-CE1 4.48Å; R140-F145 HydrophobicContact CG-CB 4.44Å; F145-R150 WeakPolarHBondContact O-CD 3.44Å; F145-Y558 WeakPolarHBondContact CD1-OH 3.46Å; F145-Y558 AromaticContact CE1-CE1 3.95Å; F145-Y558 HydrophobicContact CE1-CE1 3.95Å; F145-Y558 AromaticContact CE1-CZ 3.77Å; F145-Y558 WeakPolarHBondContact CE1-OH 3.37Å
146N93Very high94.8Very high79 Ų7937.8 Ų37.842%0.42220%0.195SC..  trans61.748.7177.4-72.1-24.3000113.7D136 Q148 A149 R150D136-N146 PolarHBondContact OD1-N 3.34Å; N146-Q148 VanDerWaalsContact C-N 3.26Å; N146-Q148 PolarHBondContact O-N 3.17Å; N146-A149 HydrophobicContact CB-CB 4.27Å; N146-A149 PolarHBondContact O-N 3.13Å; N146-R150 PolarHBondContact O-N 3Å
147T95.6Very high95.2Very high6 Ų640 Ų404%0.03720%0.202CC..Hα-helixtrans-45.3-44.2-177.4-54.40000114.1L133 L134 A151 D367 A370L133-T147 HydrophobicContact CB-CG2 4.08Å; L133-T147 HydrophobicContact CD2-CG2 3.9Å; L134-T147 WeakPolarHBondContact O-CB 3.38Å; L134-T147 WeakPolarHBondContact O-CG2 3.37Å; L134-T147 PolarHBondContact O-OG1 3.05Å; T147-A151 WeakPolarHBondContact O-CB 3.23Å; T147-A151 PolarHBondContact O-N 3.24Å; T147-D367 HydrophobicContact CG2-CB 4.16Å; T147-A370 HydrophobicContact CG2-CB 3.74Å
148Q95.8Very high95.5Very high69 Ų6939.2 Ų39.232%0.32220%0.197SC..Hα-helixtrans-63.6-44-179.8-59.9-64.5-39.700113N146 K152 D367 R369N146-Q148 VanDerWaalsContact C-N 3.26Å; N146-Q148 PolarHBondContact O-N 3.17Å; Q148-K152 PolarHBondContact O-N 2.82Å; Q148-D367 PolarHBondContact NE2-OD1 2.75Å; Q148-R369 VanDerWaalsContact OE1-CB 3.27Å
149A96.9Very high95.7Very high63 Ų6340.6 Ų40.652%0.52120%0.197SC..Hα-helixtrans-70.7-43.7-178.900000110.2N146 A151 K152 E153N146-A149 HydrophobicContact CB-CB 4.27Å; N146-A149 PolarHBondContact O-N 3.13Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.19Å; A149-K152 PolarHBondContact O-N 2.87Å; A149-E153 PolarHBondContact O-N 2.96Å
150R97.3Very high95.8Very high13 Ų1344.4 Ų44.45%0.04922%0.218CC..Hα-helixtrans-54.6-47.7171.9-76.4176.653.7-135.8-7.9111.5V131 C132 L133 F145 N146 K152 E153 I154 L636V131-R150 PolarHBondContact O-NH2 3.12Å; C132-R150 PolarHBondContact O-NH1 3.25Å; C132-R150 PolarHBondContact O-NH2 3Å; C132-R150 VanDerWaalsContact O-NH2 3.09Å; L133-R150 HydrophobicContact CD2-CB 4.34Å; F145-R150 WeakPolarHBondContact O-CD 3.44Å; N146-R150 PolarHBondContact O-N 3Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.83Å; R150-E153 PolarHBondContact O-N 2.93Å; R150-E153 VanDerWaalsContact O-N 3.13Å; R150-I154 HydrophobicContact CB-CD1 4.36Å; R150-I154 WeakPolarHBondContact O-CB 3.4Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 2.86Å; R150-L636 HydrophobicContact CG-CD2 4.27Å; R150-L636 PolarHBondContact NE-O 3.4Å; R150-L636 PolarHBondContact NH2-O 2.85Å
151A98.3Very high95.9Very high0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-59.6-41.1-179.100000113.4L133 T147 A149 G155 A370 K373 L374L133-A151 HydrophobicContact CD1-CB 3.69Å; L133-A151 HydrophobicContact CD2-CB 3.82Å; L133-A151 HydrophobicContact CG-CB 4.41Å; T147-A151 WeakPolarHBondContact O-CB 3.23Å; T147-A151 PolarHBondContact O-N 3.24Å; A149-A151 VanDerWaalsContact C-N 3.33Å; A149-A151 PolarHBondContact O-N 3.19Å; A151-G155 PolarHBondContact O-N 2.88Å; A151-G155 VanDerWaalsContact O-N 3.13Å; A151-A370 HydrophobicContact CB-CB 3.68Å; A151-A370 WeakPolarHBondContact CB-O 3.21Å; A151-K373 HydrophobicContact CB-CB 4.47Å; A151-L374 HydrophobicContact CB-CB 4.36Å
152K98.2Very high96Very high105 Ų10538 Ų3846%0.45719%0.186SC..Hα-helixtrans-64.3-47.9174.2-174.6-174.3174.9-170.80111Q148 A149 R150 G155 Q156 Q377Q148-K152 PolarHBondContact O-N 2.82Å; A149-K152 PolarHBondContact O-N 2.87Å; R150-K152 VanDerWaalsContact C-N 3.32Å; R150-K152 PolarHBondContact O-N 2.83Å; K152-G155 PolarHBondContact O-N 2.79Å; K152-Q156 WeakPolarHBondContact O-CB 3.29Å; K152-Q156 PolarHBondContact O-N 2.78Å; K152-Q377 HydrophobicContact CG-CG 4.16Å; K152-Q377 WeakPolarHBondContact O-CG 2.91Å
153E98.3Very high95.9Very high63 Ų6338.5 Ų38.529%0.29420%0.197SC..Hα-helixtrans-64.6-45.2-179.1-177.962.2-162.800112A149 R150 G155 Q156 R157 L636A149-E153 PolarHBondContact O-N 2.96Å; R150-E153 PolarHBondContact O-N 2.93Å; R150-E153 VanDerWaalsContact O-N 3.13Å; E153-G155 PolarHBondContact O-N 3.02Å; E153-Q156 WeakPolarHBondContact O-CB 3.4Å; E153-Q156 PolarHBondContact O-N 2.94Å; E153-Q156 VanDerWaalsContact O-N 3.15Å; E153-R157 HydrophobicContact CG-CG 4.37Å; E153-R157 WeakPolarHBondContact O-CG 3.48Å; E153-R157 PolarHBondContact O-N 2.95Å; E153-R157 WeakPolarHBondContact OE1-CG 3.31Å; E153-R157 IonicContact OE1-CZ 3.95Å; E153-R157 IonicContact OE1-NE 3.02Å; E153-R157 PolarHBondContact OE1-NE 3.28Å; E153-R157 IonicContact OE1-NH2 3.5Å; E153-R157 PolarHBondContact OE1-NH2 3.07Å; E153-L636 HydrophobicContact CB-CD1 4.19Å; E153-L636 HydrophobicContact CB-CD2 4.39Å; E153-L636 HydrophobicContact CG-CD1 3.53Å; E153-L636 HydrophobicContact CG-CD2 4.03Å; E153-L636 HydrophobicContact CG-CG 4.44Å
154I98.6Very high95.7Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-55.2-51.4175.8-70.8167.8000110.1V131 L133 R150 Q156 R157 I158 L374 L633 L636V131-I154 HydrophobicContact CB-CD1 4.19Å; V131-I154 HydrophobicContact CG1-CG2 4.01Å; L133-I154 HydrophobicContact CD2-CD1 4.14Å; R150-I154 HydrophobicContact CB-CD1 4.36Å; R150-I154 WeakPolarHBondContact O-CB 3.4Å; R150-I154 WeakPolarHBondContact O-CG1 3.49Å; R150-I154 PolarHBondContact O-N 2.86Å; I154-Q156 VanDerWaalsContact C-N 3.3Å; I154-Q156 PolarHBondContact O-N 3.38Å; I154-R157 PolarHBondContact O-N 2.94Å; I154-I158 HydrophobicContact CG2-CD1 3.62Å; I154-I158 HydrophobicContact CG2-CG1 4.42Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.4Å; I154-I158 PolarHBondContact O-N 3.06Å; I154-L374 HydrophobicContact CG2-CD1 4.07Å; I154-L633 HydrophobicContact CB-CD2 4.42Å; I154-L633 HydrophobicContact CG1-CD2 4.34Å; I154-L633 HydrophobicContact CG2-CD1 4.05Å; I154-L633 HydrophobicContact CG2-CD2 4.15Å; I154-L636 HydrophobicContact CD1-CB 4.17Å; I154-L636 HydrophobicContact CG1-CB 3.8Å; I154-L636 HydrophobicContact CG1-CD1 3.93Å; I154-L636 HydrophobicContact CG1-CG 4.48Å
155G98.3Very high94.8Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-60.6-38.9178.300000113A151 K152 E153 R159 L374A151-G155 PolarHBondContact O-N 2.88Å; A151-G155 VanDerWaalsContact O-N 3.13Å; K152-G155 PolarHBondContact O-N 2.79Å; E153-G155 PolarHBondContact O-N 3.02Å; G155-R159 VanDerWaalsContact O-CB 3.25Å; G155-R159 WeakPolarHBondContact O-CB 3.19Å; G155-R159 PolarHBondContact O-N 3.17Å; G155-L374 VanDerWaalsContact CA-CD1 3.48Å
156Q98Very high93.6Very high74 Ų7449.5 Ų49.535%0.34625%0.253SS..Hα-helixtrans-66.7-44.1176.4-178.5171.8-16.200111.9K152 E153 I154 R159 N160K152-Q156 WeakPolarHBondContact O-CB 3.29Å; K152-Q156 PolarHBondContact O-N 2.78Å; E153-Q156 WeakPolarHBondContact O-CB 3.4Å; E153-Q156 PolarHBondContact O-N 2.94Å; E153-Q156 VanDerWaalsContact O-N 3.15Å; I154-Q156 VanDerWaalsContact C-N 3.3Å; I154-Q156 PolarHBondContact O-N 3.38Å; Q156-R159 PolarHBondContact O-N 3.24Å; Q156-N160 VanDerWaalsContact O-CB 3.31Å; Q156-N160 WeakPolarHBondContact O-CB 3.2Å; Q156-N160 PolarHBondContact O-N 3.1Å; Q156-N160 PolarHBondContact O-ND2 3.19Å; Q156-N160 PolarHBondContact O-OD1 2.98Å
157R98.2Very high92.1Very high51 Ų5151.9 Ų51.919%0.19226%0.264CS..Hα-helixtrans-64.7-45.8178.1-70.1-165.1-172.1178.65112.1E153 I154 N160 G161 Q632 L633 S634E153-R157 HydrophobicContact CG-CG 4.37Å; E153-R157 WeakPolarHBondContact O-CG 3.48Å; E153-R157 PolarHBondContact O-N 2.95Å; E153-R157 WeakPolarHBondContact OE1-CG 3.31Å; E153-R157 IonicContact OE1-CZ 3.95Å; E153-R157 IonicContact OE1-NE 3.02Å; E153-R157 PolarHBondContact OE1-NE 3.28Å; E153-R157 IonicContact OE1-NH2 3.5Å; E153-R157 PolarHBondContact OE1-NH2 3.07Å; I154-R157 PolarHBondContact O-N 2.94Å; R157-N160 PolarHBondContact O-N 3.22Å; R157-G161 PolarHBondContact O-N 3.39Å; R157-Q632 HydrophobicContact CB-CG 4.21Å; R157-Q632 WeakPolarHBondContact CD-O 3.19Å; R157-Q632 PolarHBondContact NH1-O 3.4Å; R157-Q632 PolarHBondContact O-NE2 3.47Å; R157-Q632 PolarHBondContact O-OE1 2.98Å; R157-L633 HydrophobicContact CB-CD2 4.09Å; R157-S634 PolarHBondContact NH1-O 2.87Å
158I98.3Very high90.1Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-58.1-52.2175.5-68.6167.5000110.4I154 N160 G161 A162 F353 L360 L362 L378 F382 L633I154-I158 HydrophobicContact CG2-CD1 3.62Å; I154-I158 HydrophobicContact CG2-CG1 4.42Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.4Å; I154-I158 PolarHBondContact O-N 3.06Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.9Å; I158-G161 PolarHBondContact O-N 2.9Å; I158-A162 WeakPolarHBondContact O-CB 3.19Å; I158-A162 PolarHBondContact O-N 2.86Å; I158-F353 HydrophobicContact CB-CD2 4.42Å; I158-F353 HydrophobicContact CB-CE2 4.43Å; I158-F353 HydrophobicContact CD1-CE2 4.39Å; I158-F353 HydrophobicContact CD1-CZ 4.18Å; I158-F353 HydrophobicContact CG1-CD2 3.9Å; I158-F353 HydrophobicContact CG1-CE1 4.26Å; I158-F353 HydrophobicContact CG1-CE2 3.44Å; I158-F353 VanDerWaalsContact CG1-CE2 3.44Å; I158-F353 HydrophobicContact CG1-CG 4.49Å; I158-F353 HydrophobicContact CG1-CZ 3.64Å; I158-L360 HydrophobicContact CD1-CD2 4.22Å; I158-L360 HydrophobicContact CG2-CD2 3.77Å; I158-L362 HydrophobicContact CD1-CD2 4.48Å; I158-L378 HydrophobicContact CB-CD2 4.05Å; I158-L378 HydrophobicContact CD1-CD2 4.45Å; I158-L378 HydrophobicContact CG2-CD2 3.71Å; I158-F382 HydrophobicContact CG2-CE2 4.37Å; I158-L633 HydrophobicContact CG1-CD2 4.34Å
159R96Very high88.2Confident97 Ų9758.8 Ų58.837%0.36630%0.297SS..Hα-helixtrans-55.4-48.2178173-178.4175.6-156.2-3111.4G155 Q156 G161 A162 A163 Q377 G380G155-R159 VanDerWaalsContact O-CB 3.25Å; G155-R159 WeakPolarHBondContact O-CB 3.19Å; G155-R159 PolarHBondContact O-N 3.17Å; Q156-R159 PolarHBondContact O-N 3.24Å; R159-G161 VanDerWaalsContact C-N 3.35Å; R159-A162 PolarHBondContact O-N 2.63Å; R159-A163 WeakPolarHBondContact O-CB 3.21Å; R159-A163 PolarHBondContact O-N 2.99Å; R159-Q377 WeakPolarHBondContact CD-O 3.45Å; R159-G380 PolarHBondContact NE-O 3.32Å
160N95.1Very high85.6Confident81 Ų8164 Ų6443%0.43331%0.305SS..Hα-helixtrans-65.9-38.8-178.5-69.8-12.7000111.7Q156 R157 I158 R164Q156-N160 VanDerWaalsContact O-CB 3.31Å; Q156-N160 WeakPolarHBondContact O-CB 3.2Å; Q156-N160 PolarHBondContact O-N 3.1Å; Q156-N160 PolarHBondContact O-ND2 3.19Å; Q156-N160 PolarHBondContact O-OD1 2.98Å; R157-N160 PolarHBondContact O-N 3.22Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.9Å; N160-R164 WeakPolarHBondContact O-CG 3.17Å; N160-R164 PolarHBondContact O-N 2.92Å
161G94.6Very high83.4Confident0 Ų069.8 Ų69.80%034%0.336CS..Hα-helixtrans-59.8-53.6173.200000111.8R157 I158 R159 A163 R164 F353R157-G161 PolarHBondContact O-N 3.39Å; I158-G161 PolarHBondContact O-N 2.9Å; R159-G161 VanDerWaalsContact C-N 3.35Å; G161-A163 PolarHBondContact O-N 2.83Å; G161-R164 WeakPolarHBondContact O-CB 3.36Å; G161-R164 PolarHBondContact O-N 2.8Å; G161-F353 CarbonylContact C-O 3.54Å
162A93.3Very high80.3Confident0 Ų077.2 Ų77.20%038%0.375CS..Hα-helixtrans-66.2-35.4-177.300000114I158 R159 R164 N356 L357 Y381I158-A162 WeakPolarHBondContact O-CB 3.19Å; I158-A162 PolarHBondContact O-N 2.86Å; R159-A162 PolarHBondContact O-N 2.63Å; A162-R164 VanDerWaalsContact C-N 3.31Å; A162-N356 PolarHBondContact O-N 2.73Å; A162-L357 HydrophobicContact CB-CB 3.71Å; A162-L357 HydrophobicContact CB-CD2 4.39Å; A162-Y381 HydrophobicContact CB-CD1 3.84Å; A162-Y381 HydrophobicContact CB-CD2 4.47Å; A162-Y381 HydrophobicContact CB-CE1 3.49Å; A162-Y381 VanDerWaalsContact CB-CE1 3.49Å; A162-Y381 HydrophobicContact CB-CE2 4.16Å; A162-Y381 HydrophobicContact CB-CG 4.3Å; A162-Y381 WeakPolarHBondContact O-CE2 3.35Å; A162-Y381 PolarHBondContact O-OH 3.02Å; A162-Y381 VanDerWaalsContact O-OH 3.08Å
163A90.1Very high77.4Confident56 Ų5676.8 Ų76.846%0.46339%0.385SS..THydrogen-bonded Turntrans-82.9-2.8-179.500000114.1R159 G161 Y381R159-A163 WeakPolarHBondContact O-CB 3.21Å; R159-A163 PolarHBondContact O-N 2.99Å; G161-A163 PolarHBondContact O-N 2.83Å; A163-Y381 HydrophobicContact CB-CD2 3.82Å; A163-Y381 HydrophobicContact CB-CE2 4.07Å
164R88.8Confident74.9Confident96 Ų9679.3 Ų79.336%0.36241%0.407SS..SBendtrans-59137.2177.2-88.5160.633.1141-4110.9N160 G161 A162 Q166 F352 A355N160-R164 WeakPolarHBondContact O-CG 3.17Å; N160-R164 PolarHBondContact O-N 2.92Å; G161-R164 WeakPolarHBondContact O-CB 3.36Å; G161-R164 PolarHBondContact O-N 2.8Å; A162-R164 VanDerWaalsContact C-N 3.31Å; R164-Q166 PolarHBondContact O-N 3.05Å; R164-F352 VanDerWaalsContact NH1-CD1 3.26Å; R164-A355 HydrophobicContact CB-CB 4.29Å; R164-A355 WeakPolarHBondContact O-CB 3.48Å
165P76.1Confident72Confident95 Ų9585 Ų8562%0.61744%0.442SS*.  trans-62.6136.4169.126.4-31.8000109.2I167P165-I167 HydrophobicContact CB-CG1 4.09Å; P165-I167 HydrophobicContact CG-CD1 4.03Å; P165-I167 HydrophobicContact CG-CG1 3.97Å; P165-I167 PolarHBondContact O-N 3.38Å
166Q66.3Low69.2Low92 Ų9292.9 Ų92.943%0.4348%0.484SS..  trans-75.579.2173.6-164.3178.614.500109R164 K168 A355 N356R164-Q166 PolarHBondContact O-N 3.05Å; Q166-K168 HydrophobicContact CG-CG 4.47Å; Q166-K168 VanDerWaalsContact NE2-CE 3.33Å; Q166-K168 PolarHBondContact O-N 2.87Å; Q166-K168 VanDerWaalsContact O-N 3.16Å; Q166-A355 HydrophobicContact CB-CB 4.44Å; Q166-N356 PolarHBondContact OE1-ND2 3.14Å
167I62.7Low66.2Low128 Ų12895 Ų9566%0.65650%0.502SS*.  trans-77.7101.9177.4-54.7176.3000107.9P165 I169P165-I167 HydrophobicContact CB-CG1 4.09Å; P165-I167 HydrophobicContact CG-CD1 4.03Å; P165-I167 HydrophobicContact CG-CG1 3.97Å; P165-I167 PolarHBondContact O-N 3.38Å; I167-I169 HydrophobicContact CG2-CD1 4.39Å; I167-I169 HydrophobicContact CG2-CG1 3.71Å; I167-I169 PolarHBondContact O-N 2.91Å
168K53.7Low63.2Low89 Ų8997.2 Ų97.239%0.38753%0.526SS..  trans-88.495.4168.8-66.4-175-179.9-1740108Q166 Y170Q166-K168 HydrophobicContact CG-CG 4.47Å; Q166-K168 VanDerWaalsContact NE2-CE 3.33Å; Q166-K168 PolarHBondContact O-N 2.87Å; Q166-K168 VanDerWaalsContact O-N 3.16Å; K168-Y170 HydrophobicContact CB-CD2 4.43Å; K168-Y170 HydrophobicContact CB-CE2 3.71Å; K168-Y170 WeakPolarHBondContact O-CD2 3.41Å; K168-Y170 PolarHBondContact O-N 2.9Å
169I54.8Low60.2Low131 Ų131104.8 Ų104.867%0.67257%0.565SS**  trans-77.2112.5171.5-54-179.2000107.5I167 I171I167-I169 HydrophobicContact CG2-CD1 4.39Å; I167-I169 HydrophobicContact CG2-CG1 3.71Å; I167-I169 PolarHBondContact O-N 2.91Å; I169-I171 HydrophobicContact CG2-CG1 4.03Å
170Y43.2Very low57.4Low172 Ų172105.4 Ų105.468%0.67558%0.584SS**  trans-91.4114.1169.8-61.8-88.3000107.6K168K168-Y170 HydrophobicContact CB-CD2 4.43Å; K168-Y170 HydrophobicContact CB-CE2 3.71Å; K168-Y170 WeakPolarHBondContact O-CD2 3.41Å; K168-Y170 PolarHBondContact O-N 2.9Å
171I50.3Low54.4Low136 Ų136106.8 Ų106.870%0.69761%0.606SS**  trans-97.196.7170.2-54.3176.7000106.3I169 S173I169-I171 HydrophobicContact CG2-CG1 4.03Å; I171-S173 VanDerWaalsContact C-N 3.3Å; I171-S173 PolarHBondContact O-N 2.82Å
172D34.6Very low51.5Low156 Ų156111 Ų11183%0.83464%0.641SS**  trans-71.292162.5-82.7-23.7000107P174D172-P174 VanDerWaalsContact O-CD 3.24Å; D172-P174 WeakPolarHBondContact O-CD 3.24Å
173S36.3Very low48.6Very low95 Ų95115.6 Ų115.666%0.66467%0.673SS**  trans-76.4114.1169.3-660000108.9I171 T175I171-S173 VanDerWaalsContact C-N 3.3Å; I171-S173 PolarHBondContact O-N 2.82Å; S173-T175 PolarHBondContact O-N 2.88Å
174P45.9Very low45.9Very low117 Ų117121.9 Ų121.976%0.7669%0.69SS**  trans-90.176.1176.434.5-25.8000109D172D172-P174 VanDerWaalsContact O-CD 3.24Å; D172-P174 WeakPolarHBondContact O-CD 3.24Å
175T38.5Very low43Very low118 Ų118123.2 Ų123.272%0.72471%0.714SS**  trans-175.5128156.97.70000114.5S173 T177S173-T175 PolarHBondContact O-N 2.88Å; T175-T177 PolarHBondContact O-N 2.99Å; T175-T177 VanDerWaalsContact O-N 3.17Å
176N38.9Very low40.7Very low167 Ų167124.2 Ų124.289%0.89372%0.724SS**  trans-58.4103.4145.4-104.3-44.7000108
177T34.6Very low39.1Very low117 Ų117128.1 Ų128.172%0.71875%0.747SS**  trans172122.8143.734.70000109.8T175T175-T177 PolarHBondContact O-N 2.99Å; T175-T177 VanDerWaalsContact O-N 3.17Å
178S35.5Very low37.6Very low99 Ų99127.5 Ų127.569%0.69275%0.749SS**  trans12.5125.3155.457.70000121.3
179I36Very low36.3Very low159 Ų159129 Ų12982%0.81577%0.77SS**  trans78.1129.1138.5-59.8169.6000119
180S36.3Very low35.6Very low110 Ų110127.7 Ų127.777%0.76977%0.771SS**  trans79.799.8161-67.80000118.9
181A31Very low35Very low109 Ų109128.9 Ų128.990%0.90178%0.782SS**  trans-131.781.8140.900000108.4
182A34.2Very low33.9Very low89 Ų89126 Ų12674%0.73679%0.786SS**  trans-86.2129.7147.200000106.8
183S33.3Very low33.6Very low96 Ų96122.1 Ų122.167%0.67178%0.782SS**  trans165.4144148.8-80.40000109.2
184F32.1Very low33.4Very low188 Ų188126 Ų12683%0.82580%0.796SS**  cis-148.8136.439.7-79.1-88.4000113.6
185S28.2Very low32.6Very low124 Ų124124.3 Ų124.387%0.86780%0.799SS**  -163.699.4129.2-84.30000109.6
186S28.8Very low32.3Very low116 Ų116125.6 Ų125.681%0.81181%0.807SS**  trans-164.1120.4150.150.30000109.8
187L31.2Very low31.9Very low174 Ų174121.7 Ų121.791%0.91180%0.798SS**  trans-93.5109.3171.2-87.4164000109.2
188V31.5Very low31.6Very low116 Ų116127.5 Ų127.570%0.70381%0.806SS**  trans33.8131140.7-168.20000120.7
189S26.8Very low31.2Very low120 Ų120127 Ų12784%0.83981%0.808SS**  trans-141.1145.3133.8-79.90000110.8
190P40.4Very low30.9Very low104 Ų104126.1 Ų126.168%0.67581%0.81SS**  trans-105.6172.2-16639.8-32000114.5
191Q30.4Very low31.6Very low197 Ų197126.8 Ų126.892%0.92181%0.812SS**  trans89.9131.3174.1-58.1174.81.700114.4
192G27.4Very low31.4Very low75 Ų75125 Ų12577%0.77380%0.804SS**  cis169.71591.800000109.1
193G28.8Very low31.1Very low74 Ų74126.1 Ų126.176%0.76381%0.807SS**  trans85.8104.2151.900000118.9
194D32Very low31Very low178 Ų178130 Ų13095%0.95282%0.818SS**  trans31.3133.5134.6-66.5-26000121.5
195G29.2Very low30.9Very low80 Ų80129.8 Ų129.883%0.82582%0.817SS**  trans15793.7149.500000117.7
196V31.4Very low31Very low145 Ų145134.4 Ų134.488%0.87982%0.815SS**  trans-39.7141.2164.41680000117.2
197A30Very low31Very low85 Ų85134.2 Ų134.270%0.70281%0.809SS**  trans88.1137.2142.700000124.5
198R30Very low30.9Very low239 Ų239130.3 Ų130.390%0.90280%0.802SS**  trans79.7106.2140.4-92.9-179.2177.2157-0.5121.2
199A26.7Very low30.9Very low89 Ų89130 Ų13074%0.73681%0.805SS**  52.3141.4111.300000123.1
200V30.2Very low31Very low140 Ų140130.8 Ų130.885%0.84880%0.804SS**  trans85.5150.5155.5-95.90000120.7
201P50.3Low30.4Very low125 Ų125134.2 Ų134.281%0.81281%0.811SS**  trans-120.8173.5-136.922.94.3000112.6
202G26.3Very low30.1Very low71 Ų71135.4 Ų135.473%0.73281%0.809SS**  trans-178.4100.5176.400000116.1
203S27.4Very low30.2Very low113 Ų113141 Ų14179%0.7981%0.812SS**  trans-5.9144.6141.750.20000119.9
204I31.6Very low30.1Very low177 Ų177140.8 Ų140.891%0.90881%0.81SS**  -152.1140.7128.1-92.2145.2000109.6
205K30.4Very low30Very low184 Ų184140.4 Ų140.480%0.881%0.808SS**  trans-102.5171.3-174.6-71.8177.2170.1176.10112.6
206R30.2Very low30Very low220 Ų220139.8 Ų139.883%0.8380%0.802SS**  trans95.9141145.9-72.6-159.7173.6130.5-1.3116.7
207T28.6Very low29.7Very low113 Ų113136.4 Ų136.469%0.69380%0.796SS**  cis-168.9137.85.116.20000107.5
208A29.4Very low29.6Very low91 Ų91144.6 Ų144.675%0.75281%0.809SS**  50.2138.810200000114.7
209S30.5Very low29.8Very low110 Ų110142 Ų14277%0.76981%0.806SS**  cis-175.3165.520.131.90000105.8
210V30Very low30.6Very low137 Ų137144 Ų14483%0.8381%0.812SS**  -173.1138.690.6166.70000108.7
211E27.5Very low30.6Very low176 Ų176140.1 Ų140.182%0.82280%0.8SS**  trans-106.5149.2176.9-167.1173.5-153.700108.7
212Y24.6Very low29.6Very low222 Ų222142 Ų14287%0.87180%0.804SS**  trans-142126.5161.4-157.5-95.1000110.6
213K30Very low29.9Very low192 Ų192147.4 Ų147.484%0.83581%0.81SS**  trans-127.6137174.8-163.3-177.6-174-1790107
214G26.3Very low30Very low70 Ų70146.7 Ų146.772%0.72281%0.811SS**  trans-148.9126.7171.800000109.8
215D29.6Very low30Very low170 Ų170143.3 Ų143.391%0.90981%0.809SS**  trans-111.6160.1-170.6-173.518.5000110.8
216G28.8Very low29.9Very low67 Ų67142.8 Ų142.869%0.69182%0.815SS**  trans125.889.3152.400000120
217G26.3Very low29.9Very low74 Ų74135.8 Ų135.876%0.76381%0.811SS**  84.2123.6119.600000122.6
218R27.8Very low30.5Very low257 Ų257136.2 Ų136.297%0.9782%0.816SS**  154.5132.2122.8-85.4178.8-178.8-1690.9113.5
219H34.1Very low30.4Very low184 Ų184136.3 Ų136.385%0.85282%0.817SS**  trans-82.4159.7157.8-96-66.2000110.1
220P41.8Very low30.4Very low132 Ų132136.8 Ų136.886%0.85782%0.82SS**  -139.3-178.563.432.1-9.6000112.4
221G30.3Very low30.3Very low58 Ų58133.7 Ų133.760%0.59882%0.816SS**  cis164.1152.7700000107.7
222D31.3Very low30.6Very low165 Ų165132.5 Ų132.588%0.88282%0.815SS**  trans56.6147.8160.3-51.4-29.5000119.6
223E31.9Very low31.3Very low184 Ų184128 Ų12886%0.8681%0.813SS**  cis-146.6134.324.1-73.5173.310100108
224A28.6Very low31.3Very low98 Ų98124.7 Ų124.781%0.8181%0.809SS**  55.211081.300000116.2
225A32.5Very low31.4Very low105 Ų105129.2 Ų129.287%0.86882%0.817SS**  trans-172.6121.7131.400000112.3
226N28.1Very low31.3Very low173 Ų173124 Ų12493%0.92580%0.803SS**  trans-67.4158167.4-68-57.6000112.6
227G29.3Very low31.2Very low73 Ų73126.7 Ų126.775%0.75381%0.811SS**  trans172.9124.5156.500000114.8
228P41.8Very low31.4Very low122 Ų122128.8 Ų128.879%0.79281%0.814SS**  trans-112.9178.1-156.840.8-30000115.1
229A28.3Very low31.9Very low94 Ų94122.1 Ų122.178%0.77780%0.804SS**  trans68.5148.2155.500000115.3
230S29.3Very low31.6Very low120 Ų120122.1 Ų122.184%0.83981%0.805SS**  cis179.8157.812.531.70000105.8
231G29Very low31Very low72 Ų72124 Ų12474%0.74281%0.807SS**  trans14481.8152.300000115.3
232D32Very low30.8Very low150 Ų150125.3 Ų125.380%0.80281%0.813SS**  trans-58.2159.1142.5-72.8-42.5000109.4
233P39.5Very low30.5Very low128 Ų128123.5 Ų123.583%0.83181%0.811SS**  -129.7136.5100.434.3-25.4000113.1
234V31.1Very low30.2Very low122 Ų122120.6 Ų120.674%0.73980%0.801SS**  trans-62133.4151.9172.90000108.5
235D28.9Very low30Very low166 Ų166121.7 Ų121.789%0.88880%0.797SS**  trans-146.1133.3132-141.1-5.8000110.7
236G27.6Very low29.7Very low61 Ų61127.1 Ų127.163%0.62980%0.795SS**  trans-102149.9-17700000111.5
237S26.8Very low29.6Very low122 Ų122126.5 Ų126.585%0.85379%0.79SS**  trans-153.6116.5152.260.30000109.5
238S29.9Very low29.4Very low119 Ų119126.4 Ų126.483%0.83279%0.789SS**  trans-68.8174.4176.3-91.90000113.3
239P37.3Very low28.5Very low116 Ų116124.1 Ų124.175%0.75379%0.787SS**  trans-104.1138.1-140.837.8-31.5000113.9
240E29.1Very low28.5Very low185 Ų185128.5 Ų128.586%0.86479%0.792SS**  trans-143.6101.5167-61.3-168.7177.400109
241D29.4Very low28.4Very low170 Ų170131.8 Ų131.891%0.90979%0.794SS**  trans-17771.6141.2-100.2-19.1000109.4
242A25.5Very low28.3Very low87 Ų87131.7 Ų131.772%0.71979%0.793SS**  trans-94.795.1163.700000108I244A242-I244 PolarHBondContact O-N 2.69Å; A242-I244 VanDerWaalsContact O-N 3.11Å
243C25.1Very low28Very low126 Ų126130.8 Ų130.885%0.85180%0.798SS**  trans-83.386.7170.8-145.30000109
244I25.2Very low27.5Very low124 Ų124136.4 Ų136.464%0.63680%0.803SS**  trans-84116169.8-63.6171.7000107.4A242 R246A242-I244 PolarHBondContact O-N 2.69Å; A242-I244 VanDerWaalsContact O-N 3.11Å; I244-R246 HydrophobicContact CG2-CG 4.06Å
245V25.2Very low28.1Very low121 Ų121136 Ų13673%0.73380%0.802SS**  trans-108.7102.5162.2-1790000108.4I247V245-I247 HydrophobicContact CG1-CG1 4.17Å
246R25.1Very low28.3Very low218 Ų218134.2 Ų134.282%0.82380%0.8SS**  trans-79.8133.7161.8-73.8-178.6171.9126.8-1.8108.3I244I244-R246 HydrophobicContact CG2-CG 4.06Å
247I25.9Very low28.4Very low160 Ų160140.3 Ų140.382%0.82181%0.812SS**  trans-126.3101.9154.2-57.5-177000106.9V245V245-I247 HydrophobicContact CG1-CG1 4.17Å
248G24.8Very low28.7Very low71 Ų71138.5 Ų138.573%0.73281%0.805SS**  trans-83144.3158.400000109.2
249G23.9Very low28.7Very low74 Ų74140.7 Ų140.776%0.76381%0.807SS**  trans-82.6166.9175.600000113.2
250E27.2Very low28.4Very low186 Ų186142.5 Ų142.587%0.86981%0.81SS**  -179.4158.2109.9-113.3-178.4139.200112
251E28Very low28.9Very low190 Ų190139.7 Ų139.789%0.88881%0.808SS**  trans66.4132.1163.8-66.3-179.5157.300119
252G26Very low29Very low69 Ų69135.9 Ų135.971%0.71180%0.8SS**  cis154.7122.23.900000108.7
253S25.9Very low30.1Very low131 Ų131138 Ų13892%0.91681%0.806SS**  trans-163.8138.8158.8-50.50000111
254R28.8Very low30.2Very low247 Ų247136 Ų13693%0.93281%0.808SS**  trans-94179.1-172.4-105.9-172.7-176.9169.41.3112.9
255P43.7Very low30.4Very low112 Ų112133.7 Ų133.773%0.72781%0.814SS**  trans-100-173.1-141.342.9-38.4000115.5
256P34.1Very low30.5Very low129 Ų129137.6 Ų137.684%0.83882%0.824SS**  -146.5178.9112.436.4-17.6000117.2
257E30.4Very low30.7Very low189 Ų189131.7 Ų131.788%0.88382%0.822SS**  trans-77.2166.2-161.1-69.8166.2118.800119.7
258A33.3Very low30.9Very low84 Ų84134.7 Ų134.769%0.69482%0.823SS**  trans11.6143.9145.800000123
259D28.5Very low31.2Very low166 Ų166138.4 Ų138.489%0.88883%0.826SS**  -173.1143.1112.5-98.1-24.7000113.9
260D32Very low31.4Very low153 Ų153138.8 Ų138.882%0.81883%0.831SS**  trans-71.6166.4169.8-110.5-23.8000111.8
261P39.3Very low31.4Very low126 Ų126135.1 Ų135.182%0.81883%0.832SS**  -151.8155.6100.635.3-15.6000117.3
262A30.2Very low31.4Very low90 Ų90130.1 Ų130.174%0.74483%0.831SS**  trans-101-164.3157.300000109.6
263P50Low31.4Very low131 Ų131130.6 Ų130.685%0.85184%0.836SS**  cis-142.4-176.1-1137.8-16.4000115.9
264G26.9Very low31.5Very low85 Ų85127.8 Ų127.888%0.87683%0.828SS**  trans122.1136.4153.600000114.9
265G28.6Very low32.1Very low75 Ų75121.5 Ų121.577%0.77382%0.82SS**  cis166.9154.60.200000109.6
266Q28.7Very low31.4Very low203 Ų203128 Ų12895%0.94983%0.83SS**  trans89.399.2159.4-71.5179.2-1000123
267A29.3Very low31.1Very low94 Ų94125.4 Ų125.478%0.77783%0.826SS**  trans-5.8142.913400000121.8
268R30.3Very low30.9Very low223 Ų223125.1 Ų125.184%0.84282%0.824SS**  172.9138.6100.2-106-178.4166.4176-3.2114
269N29.9Very low30.7Very low149 Ų149127 Ų12780%0.79783%0.828SS**  trans52.7136.4139.7-63.1-5.6000122.5
270G27.8Very low30.9Very low83 Ų83125 Ų12586%0.85682%0.824SS**  trans158.5113.8145.700000115.2
271A28.1Very low30.7Very low109 Ų109125 Ų12590%0.90182%0.824SS**  trans-76.5162.9-176.300000115
272G26.6Very low30.2Very low84 Ų84128.2 Ų128.287%0.86683%0.827SS**  trans108.8123.4134.700000117.7
273G26.6Very low30Very low79 Ų79131.1 Ų131.181%0.81483%0.83SS**  trans12595.6147.500000116.5
274G27.5Very low28.9Very low73 Ų73133.1 Ų133.175%0.75383%0.828SS**  trans-69.9174.6139.900000109.8
275P42.6Very low28.9Very low115 Ų115136.4 Ų136.475%0.74782%0.821SS**  cis-153.9176.349.340.4-18.8000118.2
276R29.4Very low28.9Very low249 Ų249140.1 Ų140.194%0.9482%0.823SS**  trans77.5133.1139.8-86.1172.1-173.3-155.22.5123.2
277G26.6Very low28.8Very low73 Ų73134.4 Ų134.475%0.75382%0.819SS**  trans139.97614800000113.9
278Q26.3Very low28.7Very low184 Ų184137.2 Ų137.286%0.8682%0.82SS**  48.1102.492.6-80.1-171.814.100117.9
279T29.9Very low28.6Very low124 Ų124132.5 Ų132.576%0.76182%0.822SS**  52.4152.6128.643.70000121.2
280P33.2Very low28.4Very low124 Ų124129 Ų12981%0.80582%0.821SS**  cis-154.816848.540-16.5000121.1
281N27.6Very low28.3Very low153 Ų153131 Ų13182%0.81882%0.821SS**  trans-64.4146.6159.7-89.7-15.5000112.9
282H27.3Very low28.3Very low193 Ų193134.3 Ų134.389%0.89482%0.823SS**  trans-150.1131.5144.9-123.843.6000112.6
283N26.4Very low28.4Very low151 Ų151133.6 Ų133.681%0.80782%0.815SS**  trans-84.4147.2163.3-84.8-24.2000108.9
284Q28.3Very low28.4Very low173 Ų173135.8 Ų135.881%0.80882%0.819SS**  148131.4106.4-141.3169.619.800113.3
285Q26.9Very low28.7Very low154 Ų154138.6 Ų138.672%0.7282%0.823SS**  trans108107.7132.5-134.5160.79.400121.7
286D27.8Very low28Very low153 Ų153138.8 Ų138.882%0.81883%0.827SS**  trans40.4131.6135.6-55-29.3000123.6
287G26.9Very low27.9Very low83 Ų83131.7 Ų131.786%0.85682%0.822SS**  trans-172.889162.500000110.9
288D26Very low28Very low152 Ų152133.7 Ų133.781%0.81382%0.824SS**  trans-77.3144.4179.1-16810.8000112
289S28.9Very low28.3Very low125 Ų125136.1 Ų136.187%0.87483%0.826SS**  trans177.599.1150.8-78.40000112.9
290G25.3Very low28.4Very low75 Ų75139.6 Ų139.677%0.77383%0.833SS**  94.281.3128.700000119.7
291S25.6Very low28.2Very low124 Ų124138.9 Ų138.987%0.86783%0.831SS**  trans-124111.8157.9-178.20000109.4
292L29.7Very low28.2Very low180 Ų180138.9 Ų138.994%0.94283%0.83SS**  trans-102.3125.4176-73170000110.2
293G26.9Very low28.2Very low68 Ų68136.6 Ų136.670%0.70183%0.83SS**  trans112.183.3142.100000117.2
294S27.9Very low28.3Very low126 Ų126138.3 Ų138.388%0.88183%0.83SS**  trans-148.2114144.2-65.80000109
295P33.1Very low28.2Very low131 Ų131133.7 Ų133.785%0.85183%0.829SS**  trans-96.1123.417433.7-24.3000109.8
296S27.6Very low28.2Very low119 Ų119138.2 Ų138.283%0.83284%0.839SS**  trans172.390.2130.5-1690000108.6
297A28.8Very low28.2Very low100 Ų100136 Ų13683%0.82684%0.842SS**  trans-140.587.216000000106.6
298S28.4Very low28.2Very low115 Ų115135.4 Ų135.480%0.80484%0.836SS**  trans-89.2106.8164.6-70.70000106.8
299R32.6Very low29Very low235 Ų235133.6 Ų133.689%0.88783%0.833SS**  64105.885.3-100.5-172.4153.9-172.6-4.8113.3
300E30.4Very low29Very low197 Ų197134.1 Ų134.192%0.92183%0.826SS**  trans173.2143.2133.8-95.4172.3-168.300107.1
301S30.1Very low29.1Very low109 Ų109136.4 Ų136.476%0.76283%0.825SS**  cis-160.8149.7-7.9170.70000107
302L27.4Very low29.2Very low153 Ų153136 Ų13680%0.80182%0.822SS**  trans-93.9124.8-174.6-155.9102.8000108.6
303V27.5Very low29.1Very low146 Ų146131.7 Ų131.789%0.88581%0.812SS**  trans-1351051531790000108.7
304K28.1Very low29.2Very low187 Ų187134.5 Ų134.581%0.81382%0.821SS**  trans-102.1108174-168.6173.3-173.81750107.4
305G27Very low29.2Very low75 Ų75132.3 Ų132.377%0.77382%0.818SS**PPolyproline II helixtrans-77.3120.6167.300000110.2
306R26.9Very low29Very low249 Ų249135.1 Ų135.194%0.9482%0.82SS**PPolyproline II helixtrans-69.7141.8178.4-83.1174.7168.6169.4-4.3111.9
307A28Very low29.6Very low107 Ų107135.3 Ų135.388%0.88482%0.819SS**PPolyproline II helixtrans-85.5153.2161.500000111.4
308G26Very low29.4Very low71 Ų71134.1 Ų134.173%0.73282%0.816SS**  trans-179.3153.1167.800000111.3
309P42.5Very low29.5Very low114 Ų114133.2 Ų133.274%0.7482%0.815SS**  -129.4179.6-110.641-28.4000116.6
310D29.4Very low29.3Very low136 Ų136129.8 Ų129.873%0.72782%0.815SS**  trans96.9110.4147.4-62.6-23.6000123.4
311T26.8Very low29.2Very low123 Ų123125.6 Ų125.676%0.75581%0.807SS**  72.5121.9129.256.10000123.9
312S27.6Very low29.3Very low116 Ų116130.1 Ų130.181%0.81181%0.813SS**  112.4129.8126.774.80000120.4
313A28.8Very low29.3Very low88 Ų88130.4 Ų130.473%0.72782%0.815SS**  trans84.6116145.600000122
314S28.4Very low29.2Very low127 Ų127130.3 Ų130.389%0.88881%0.808SS**  trans70122.8134.862.60000121.6
315G27.6Very low29.2Very low80 Ų80132.7 Ų132.783%0.82581%0.814SS**  trans134.892.3147.700000115.8
316E28.3Very low29.2Very low190 Ų190138 Ų13889%0.88882%0.816SS**  trans-82.3169.9147-83.1-153.5147.300109.2
317P40.9Very low29.3Very low124 Ų124130.9 Ų130.981%0.80581%0.81SS**  cis-134.9173.76.832.3-11.2000114.9
318G25.6Very low29.3Very low75 Ų75130.7 Ų130.777%0.77380%0.802SS**  trans159.3101.7154.700000119.2
319A29.3Very low29.8Very low95 Ų95134.1 Ų134.179%0.78581%0.809SS**  trans70.8108139.300000121.7
320N28Very low29.1Very low164 Ų164134.7 Ų134.788%0.87781%0.809SS**  36.3113.5126-70.5-20.3000119.5
321S29.1Very low29.1Very low108 Ų108137.6 Ų137.676%0.75582%0.816SS**  -161.7117.3113.753.50000111.7
322K31.3Very low29.4Very low205 Ų205141.5 Ų141.589%0.89182%0.822SS**  trans-67.5123.5158.5-74.5176.3175.6176.80107.4
323L28Very low29.3Very low159 Ų159140.1 Ų140.183%0.83282%0.818SS**  trans-110.1107.2161.9-96.5160.6000109
324L26.6Very low29.8Very low143 Ų143141.3 Ų141.375%0.74983%0.828SS**  trans-57.4129.1171-86.4104.5000110.7K326L324-K326 PolarHBondContact O-N 3.1Å
325Y27.7Very low29.9Very low237 Ų237139.5 Ų139.593%0.92982%0.82SS**  trans-70.5107.7156.3-99.6-94.6000108.7
326K26.7Very low30.5Very low188 Ų188145.8 Ų145.882%0.81782%0.819SS**  trans-90.6114163.1-87.8-174.6173.81790108.3L324 S328L324-K326 PolarHBondContact O-N 3.1Å; K326-S328 PolarHBondContact O-N 2.81Å
327A29.2Very low31.2Very low99 Ų99143.8 Ų143.882%0.81880%0.803SS**  trans-68.8114.8164.400000108.8
328S26.8Very low31.2Very low102 Ų102149.3 Ų149.371%0.71381%0.808SS**  trans-86.8109.4170.755.70000109.3K326 V330K326-S328 PolarHBondContact O-N 2.81Å; S328-V330 PolarHBondContact O-N 2.99Å
329V37.5Very low31.9Very low144 Ų144154 Ų15487%0.87380%0.803SS**  trans-69.1112.5165.6177.40000107.3
330V28.4Very low32.8Very low125 Ų125154 Ų15476%0.75879%0.786SS**  trans-116.4125.3170.71790000108.4S328S328-V330 PolarHBondContact O-N 2.99Å
331K28.6Very low34.3Very low197 Ų197152.1 Ų152.186%0.85778%0.782SS**  trans-52.6130.8-179-74.7176.5172.1-178.50111.2A333K331-A333 PolarHBondContact O-N 3.1Å; K331-A333 VanDerWaalsContact O-N 3.07Å
332K32.5Very low35.9Very low206 Ų206154 Ų15490%0.89678%0.784SS**  trans-70.795175.2-149.4-179.5-174.5-172.30108.1
333A26.9Very low38.4Very low87 Ų87146 Ų14672%0.71975%0.75SS**  trans-79.1117.5168.400000108.1K331 A335K331-A333 PolarHBondContact O-N 3.1Å; K331-A333 VanDerWaalsContact O-N 3.07Å; A333-A335 PolarHBondContact O-N 2.97Å
334A39Very low41.2Very low113 Ų113143.3 Ų143.393%0.93475%0.751SS**  trans-63.398.4169.800000109
335A30.8Very low44.4Very low88 Ų88137.8 Ų137.873%0.72772%0.721SS**  trans-116.8112175.700000109.7A333 R337A333-A335 PolarHBondContact O-N 2.97Å; A335-R337 PolarHBondContact O-N 2.87Å
336R39.4Very low47.5Very low213 Ų213129.2 Ų129.280%0.80469%0.691SS**  trans-28.7115.5174.9-87.7169.7158.1172.8-6.9113.8
337R43Very low50.8Low147 Ų147121.7 Ų121.756%0.55566%0.659SS**  trans-67.3169.7151.8-71.9-173170-139.5-8.2109.5A335 R339A335-R337 PolarHBondContact O-N 2.87Å; R337-R339 PolarHBondContact O-N 2.88Å
338R41.7Very low54Low240 Ų240121 Ų12191%0.90664%0.639SS**  trans-56.885.3155.8-76.9-177.4-178.4176.80.5106.7H340R338-H340 PolarHBondContact O-N 2.78Å; R338-H340 VanDerWaalsContact O-N 3.13Å
339R39.4Very low57.4Low175 Ų175117 Ų11766%0.6661%0.61SS**  trans-49.4123.1154.2-69.5-177.5-176.5179.3-2.2103.5R337 P341R337-R339 PolarHBondContact O-N 2.88Å; R339-P341 WeakPolarHBondContact O-CD 3.14Å
340H48.9Very low60.3Low95 Ų95110.7 Ų110.744%0.4457%0.572SS.*  trans-51114.6157.3-87.2-81.6000104R338 D342 E343 H347R338-H340 PolarHBondContact O-N 2.78Å; R338-H340 VanDerWaalsContact O-N 3.13Å; H340-D342 PolarHBondContact O-N 2.92Å; H340-E343 PolarHBondContact O-N 3.37Å; H340-H347 AromaticContact CD2-CE1 3.83Å; H340-H347 AromaticContact CD2-NE2 3.85Å; H340-H347 AromaticContact CE1-CE1 3.95Å; H340-H347 AromaticContact CG-CE1 3.82Å; H340-H347 AromaticContact CG-NE2 3.61Å; H340-H347 AromaticContact ND1-CE1 3.9Å; H340-H347 AromaticContact NE2-CE1 3.96Å
341P57.8Low63.6Low123 Ų123104.9 Ų104.980%0.79954%0.537SS*.THydrogen-bonded Turntrans-57.9-15.1-167.418.1-29.2000112.7R339R339-P341 WeakPolarHBondContact O-CD 3.14Å
342D64.6Low66.9Low148 Ų14899.1 Ų99.179%0.79151%0.512SS*.THydrogen-bonded Turntrans-100.2-10.1-176.2-57.9-26.3000114.7H340H340-D342 PolarHBondContact O-N 2.92Å
343E83.1Confident70Confident37 Ų3789.3 Ų89.317%0.17347%0.469CS..  trans-132.3150.8-175.6-74.4-69.1179.700114H340 F345 K544 W546H340-E343 PolarHBondContact O-N 3.37Å; E343-F345 VanDerWaalsContact C-N 3.35Å; E343-K544 VanDerWaalsContact CD-NZ 3.25Å; E343-K544 WeakPolarHBondContact OE1-CD 3.29Å; E343-K544 WeakPolarHBondContact OE1-CE 3.32Å; E343-K544 IonicContact OE1-NZ 2.77Å; E343-K544 PolarHBondContact OE1-NZ 3.09Å; E343-K544 IonicContact OE2-NZ 2.67Å; E343-K544 PolarHBondContact OE2-NZ 2.83Å; E343-W546 PolarHBondContact OE1-NE1 2.99Å
344A86.8Confident73.2Confident103 Ų10385.5 Ų85.585%0.85144%0.437SS*.SBendtrans-79.3-16.1-176.500000113.9
345F93Very high75.8Confident26 Ų2680.6 Ų80.611%0.11440%0.397CS..SBendtrans-138.6164.3-172.955.8-98.1000112.1E343 H347 P535 W546 V624 F627E343-F345 VanDerWaalsContact C-N 3.35Å; F345-H347 HydrophobicContact CE2-CB 4.38Å; F345-P535 HydrophobicContact CE1-CB 4.39Å; F345-P535 HydrophobicContact CE2-CB 4.41Å; F345-P535 HydrophobicContact CZ-CB 3.76Å; F345-W546 AromaticContact CE2-CH2 3.98Å; F345-W546 HydrophobicContact CE2-CH2 3.98Å; F345-W546 AromaticContact CE2-CZ2 3.76Å; F345-W546 HydrophobicContact CE2-CZ2 3.76Å; F345-W546 HydrophobicContact CZ-CH2 4.27Å; F345-W546 AromaticContact CZ-CZ2 3.78Å; F345-W546 HydrophobicContact CZ-CZ2 3.78Å; F345-V624 HydrophobicContact CB-CB 4.36Å; F345-V624 HydrophobicContact CB-CG1 4.08Å; F345-V624 VanDerWaalsContact CB-O 3.25Å; F345-V624 WeakPolarHBondContact CB-O 3.43Å; F345-V624 HydrophobicContact CD1-CB 3.86Å; F345-V624 HydrophobicContact CD1-CG1 3.91Å; F345-V624 HydrophobicContact CD2-CG1 3.76Å; F345-V624 HydrophobicContact CE1-CB 4.28Å; F345-V624 HydrophobicContact CE1-CG1 4.26Å; F345-V624 HydrophobicContact CE2-CG1 4.13Å; F345-V624 HydrophobicContact CG-CB 4.04Å; F345-V624 HydrophobicContact CG-CG1 3.65Å; F345-V624 HydrophobicContact CZ-CG1 4.36Å; F345-F627 HydrophobicContact CD2-CB 4.21Å; F345-F627 HydrophobicContact CE2-CB 3.83Å
346D93.8Very high78.7Confident58 Ų5879 Ų7931%0.3138%0.376SS..EExtended strand (participates in β ladder)trans-74.9132.9178.1-73.2-24.5000109.8E625 E626 F627D346-E625 PolarHBondContact N-O 3.18Å; D346-E625 VanDerWaalsContact N-O 3.12Å; D346-E626 CarbonylContact O-C 3.53Å; D346-E626 VanDerWaalsContact O-CA 3.25Å; D346-E626 WeakPolarHBondContact O-CA 3.4Å; D346-F627 PolarHBondContact O-N 3.22Å
347H96.2Very high81.5Confident30 Ų3068.9 Ų68.914%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-133.1136.5176.361.865.9000111.9H340 F345 W546 F627H340-H347 AromaticContact CD2-CE1 3.83Å; H340-H347 AromaticContact CD2-NE2 3.85Å; H340-H347 AromaticContact CE1-CE1 3.95Å; H340-H347 AromaticContact CG-CE1 3.82Å; H340-H347 AromaticContact CG-NE2 3.61Å; H340-H347 AromaticContact ND1-CE1 3.9Å; H340-H347 AromaticContact NE2-CE1 3.96Å; F345-H347 HydrophobicContact CE2-CB 4.38Å; H347-W546 HydrophobicContact CB-CD2 3.94Å; H347-W546 HydrophobicContact CB-CE3 3.76Å; H347-W546 HydrophobicContact CB-CH2 4.26Å; H347-W546 HydrophobicContact CB-CZ2 4.41Å; H347-W546 HydrophobicContact CB-CZ3 3.94Å; H347-W546 AromaticContact CD2-CD1 3.76Å; H347-W546 AromaticContact CD2-CD2 3.94Å; H347-W546 AromaticContact CD2-CE2 3.96Å; H347-W546 AromaticContact CD2-CG 3.85Å; H347-W546 AromaticContact CD2-NE1 3.83Å; H347-W546 AromaticContact CE1-CD1 3.98Å; H347-W546 AromaticContact CE1-CG 3.71Å; H347-W546 AromaticContact CG-CD2 3.64Å; H347-W546 AromaticContact CG-CE3 3.93Å; H347-W546 AromaticContact CG-CG 3.78Å; H347-W546 AromaticContact ND1-CD2 3.94Å; H347-W546 AromaticContact ND1-CG 3.68Å; H347-W546 AromaticContact NE2-CD1 3.65Å; H347-W546 AromaticContact NE2-CG 3.82Å; H347-F627 VanDerWaalsContact CA-O 3.23Å; H347-F627 WeakPolarHBondContact CA-O 3.45Å
348E96.6Very high84.1Confident85 Ų8562 Ų6240%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-154.5158.7-174.459-177.5-132.300114.4S350 F627 S628 F629E348-S350 WeakPolarHBondContact OE1-CB 3.38Å; E348-S350 PolarHBondContact OE1-OG 3.02Å; E348-F627 PolarHBondContact N-O 3.48Å; E348-F627 VanDerWaalsContact N-O 3.1Å; E348-S628 VanDerWaalsContact O-CA 3.26Å; E348-S628 WeakPolarHBondContact O-CA 3.44Å; E348-F629 PolarHBondContact O-N 3.3Å
349V98.3Very high86.8Confident17 Ų1750.7 Ų50.710%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-91.6120.1156.9-176.20000106.4I548 Q569 L572 E573 F629 T631V349-I548 HydrophobicContact CG2-CD1 3.75Å; V349-Q569 HydrophobicContact CB-CG 4.46Å; V349-Q569 HydrophobicContact CG1-CG 4.14Å; V349-Q569 PolarHBondContact O-NE2 3.1Å; V349-L572 HydrophobicContact CG1-CB 4.19Å; V349-L572 HydrophobicContact CG1-CD1 4.48Å; V349-E573 HydrophobicContact CB-CG 4.45Å; V349-F629 CarbonylContact C-O 3.41Å; V349-F629 WeakPolarHBondContact CA-O 3.37Å; V349-T631 HydrophobicContact CG1-CG2 3.73Å
350S97.8Very high89.6Confident12 Ų1242.3 Ų42.38%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-117.2130.2-170.1-154.60000111.8E348 F352 F629 I630 T631E348-S350 WeakPolarHBondContact OE1-CB 3.38Å; E348-S350 PolarHBondContact OE1-OG 3.02Å; S350-F352 PolarHBondContact O-N 3.32Å; S350-F352 VanDerWaalsContact O-N 3.08Å; S350-F352 PolarHBondContact OG-O 3.47Å; S350-F629 PolarHBondContact N-O 2.94Å; S350-I630 CarbonylContact O-C 3.59Å; S350-I630 VanDerWaalsContact O-CA 3.28Å; S350-I630 WeakPolarHBondContact O-CA 3.4Å; S350-T631 PolarHBondContact O-N 3.47Å; S350-T631 PolarHBondContact O-OG1 2.96Å
351A97.4Very high92Very high2 Ų238 Ų382%0.01722%0.218CC..SBendtrans-69.1-1.6174.200000114.3P565 D566 Q569 T631 Q632A351-P565 HydrophobicContact CB-CB 4.11Å; A351-D566 VanDerWaalsContact CB-OD1 3.29Å; A351-D566 WeakPolarHBondContact CB-OD1 3.2Å; A351-Q569 HydrophobicContact CB-CB 4.45Å; A351-T631 WeakPolarHBondContact CA-OG1 3.48Å; A351-Q632 WeakPolarHBondContact O-CA 3.26Å; A351-Q632 VanDerWaalsContact O-CB 3.24Å; A351-Q632 WeakPolarHBondContact O-CB 3.43Å; A351-Q632 VanDerWaalsContact O-CG 3.29Å; A351-Q632 WeakPolarHBondContact O-CG 3.46Å
352F96.8Very high93.9Very high76 Ų7632.1 Ų32.133%0.33318%0.18SC..SBendtrans-140.1147.6-174.6-59-93.3000111.3R164 S350R164-F352 VanDerWaalsContact NH1-CD1 3.26Å; S350-F352 PolarHBondContact O-N 3.32Å; S350-F352 VanDerWaalsContact O-N 3.08Å; S350-F352 PolarHBondContact OG-O 3.47Å
353F97.9Very high95.6Very high0 Ų025 Ų250%014%0.142CC..PPolyproline II helixtrans-57.2144.6160.1-82.2-94.2000109.5A127 I158 G161 A355 L357 L360 I630 Q632 L633 P641A127-F353 HydrophobicContact CB-CD1 4.08Å; A127-F353 HydrophobicContact CB-CE1 4.03Å; I158-F353 HydrophobicContact CB-CD2 4.42Å; I158-F353 HydrophobicContact CB-CE2 4.43Å; I158-F353 HydrophobicContact CD1-CE2 4.39Å; I158-F353 HydrophobicContact CD1-CZ 4.18Å; I158-F353 HydrophobicContact CG1-CD2 3.9Å; I158-F353 HydrophobicContact CG1-CE1 4.26Å; I158-F353 HydrophobicContact CG1-CE2 3.44Å; I158-F353 VanDerWaalsContact CG1-CE2 3.44Å; I158-F353 HydrophobicContact CG1-CG 4.49Å; I158-F353 HydrophobicContact CG1-CZ 3.64Å; G161-F353 CarbonylContact C-O 3.54Å; F353-A355 PolarHBondContact O-N 3.34Å; F353-L357 HydrophobicContact CD1-CD2 4.08Å; F353-L360 HydrophobicContact CE1-CD1 4.14Å; F353-I630 HydrophobicContact CD1-CD1 3.7Å; F353-I630 HydrophobicContact CD2-CG2 3.94Å; F353-I630 HydrophobicContact CE1-CD1 3.95Å; F353-I630 HydrophobicContact CE2-CG2 4.06Å; F353-I630 HydrophobicContact CG-CD1 4.12Å; F353-I630 HydrophobicContact CG-CG2 4.31Å; F353-Q632 HydrophobicContact CD2-CB 4.14Å; F353-Q632 HydrophobicContact CE2-CB 4.46Å; F353-L633 HydrophobicContact CE2-CD1 4.1Å; F353-L633 HydrophobicContact CE2-CD2 3.93Å; F353-L633 HydrophobicContact CE2-CG 3.81Å; F353-L633 HydrophobicContact CZ-CD1 4.11Å; F353-L633 HydrophobicContact CZ-CG 4.3Å; F353-P641 HydrophobicContact CE1-CB 3.77Å; F353-P641 HydrophobicContact CE1-CG 4.26Å; F353-P641 HydrophobicContact CE2-CB 4.35Å; F353-P641 HydrophobicContact CE2-CG 4.01Å; F353-P641 HydrophobicContact CZ-CB 3.48Å; F353-P641 VanDerWaalsContact CZ-CB 3.48Å; F353-P641 HydrophobicContact CZ-CG 3.45Å; F353-P641 VanDerWaalsContact CZ-CG 3.45Å
354P95.3Very high96.2Very high7 Ų724.3 Ų24.35%0.04514%0.139CC..PPolyproline II helixtrans-60139.8-17825.5-36.6000110.8C125 L357 A643C125-P354 VanDerWaalsContact SG-CB 3.59Å; C125-P354 WeakPolarHBondContact SG-CG 3.23Å; P354-L357 HydrophobicContact CG-CD1 4.18Å; P354-A643 HydrophobicContact CG-CB 3.77Å
355A92.7Very high96.7Very high11 Ų1119.6 Ų19.69%0.09110%0.1CC..THydrogen-bonded Turntrans-61.8147.6171.700000110.1R164 Q166 F353 L357 R645R164-A355 HydrophobicContact CB-CB 4.29Å; R164-A355 WeakPolarHBondContact O-CB 3.48Å; Q166-A355 HydrophobicContact CB-CB 4.44Å; F353-A355 PolarHBondContact O-N 3.34Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.05Å; A355-R645 PolarHBondContact O-NH2 3.29Å
356N93.1Very high96.7Very high55 Ų5518.8 Ų18.829%0.29410%0.096SC..THydrogen-bonded Turntrans58.940.7-178-54.9-49.9000113C125 A162 Q166 D358 Y381C125-N356 WeakPolarHBondContact CB-O 3.3Å; A162-N356 PolarHBondContact O-N 2.73Å; Q166-N356 PolarHBondContact OE1-ND2 3.14Å; N356-D358 PolarHBondContact O-N 3.43Å; N356-Y381 VanDerWaalsContact CA-OH 3.27Å; N356-Y381 WeakPolarHBondContact CA-OH 3.13Å
357L96.6Very high96.7Very high0 Ų016.8 Ų16.80%09%0.086CC..  trans-60.1128.7172.9-177.159.2000110.1C125 A127 A162 F353 P354 A355 F359 L360 Y381 F382 R412C125-L357 HydrophobicContact CB-CD1 4.4Å; A127-L357 HydrophobicContact CB-CD1 3.6Å; A127-L357 HydrophobicContact CB-CD2 3.99Å; A127-L357 HydrophobicContact CB-CG 4.46Å; A162-L357 HydrophobicContact CB-CB 3.71Å; A162-L357 HydrophobicContact CB-CD2 4.39Å; F353-L357 HydrophobicContact CD1-CD2 4.08Å; P354-L357 HydrophobicContact CG-CD1 4.18Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.05Å; L357-F359 WeakPolarHBondContact CD1-O 3.2Å; L357-L360 HydrophobicContact CD2-CB 4.33Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å; L357-Y381 PolarHBondContact N-OH 3.12Å; L357-Y381 WeakPolarHBondContact O-CE1 3.43Å; L357-Y381 PolarHBondContact O-OH 3.49Å; L357-F382 HydrophobicContact CB-CZ 4.4Å; L357-F382 HydrophobicContact CD2-CZ 3.84Å; L357-F382 HydrophobicContact CG-CE1 4.45Å; L357-F382 HydrophobicContact CG-CZ 3.94Å; L357-R412 WeakPolarHBondContact O-CD 3.4Å
358D97.8Very high96.5Very high2 Ų218.3 Ų18.31%0.0119%0.092CC..  trans-101.1-37.2-177-65.9-60.8000112.5F124 C125 N356 S411 R412 Y413F124-D358 WeakPolarHBondContact CA-OD2 3.49Å; C125-D358 PolarHBondContact N-OD2 3.21Å; C125-D358 WeakPolarHBondContact O-CA 3.36Å; C125-D358 WeakPolarHBondContact O-CB 3.25Å; C125-D358 PolarHBondContact O-N 3.02Å; N356-D358 PolarHBondContact O-N 3.43Å; D358-S411 WeakPolarHBondContact O-CA 3.28Å; D358-R412 PolarHBondContact O-N 3.31Å; D358-R412 IonicContact OD1-CZ 2.83Å; D358-R412 IonicContact OD1-NE 2.82Å; D358-R412 PolarHBondContact OD1-NE 3.03Å; D358-R412 IonicContact OD1-NH2 3.59Å; D358-R412 PolarHBondContact OD1-NH2 3.03Å; D358-Y413 HydrophobicContact CB-CD2 4.24Å; D358-Y413 HydrophobicContact CB-CE2 3.91Å; D358-Y413 WeakPolarHBondContact OD1-CE2 3.44Å
359F98.8Very high96.4Very high2 Ų219.8 Ų19.81%0.0099%0.094CC..EExtended strand (participates in β ladder)trans-136.1131.9-174.1-51.1-74.5000110.8F124 C125 F126 A127 L357 F409 A410 S411 Y413 V442 V444 I457 F504F124-F359 HydrophobicContact CB-CE2 4.36Å; F124-F359 HydrophobicContact CD1-CE2 4.12Å; C125-F359 PolarHBondContact O-N 3.4Å; F126-F359 CarbonylContact C-O 3.53Å; F126-F359 WeakPolarHBondContact CA-O 3.14Å; F126-F359 HydrophobicContact CD1-CB 3.85Å; F126-F359 AromaticContact CD1-CD2 3.49Å; F126-F359 HydrophobicContact CD1-CD2 3.49Å; F126-F359 VanDerWaalsContact CD1-CD2 3.49Å; F126-F359 HydrophobicContact CD1-CE2 4.4Å; F126-F359 AromaticContact CD1-CG 4Å; F126-F359 HydrophobicContact CD1-CG 4Å; F126-F359 HydrophobicContact CE1-CB 4.37Å; F126-F359 AromaticContact CE1-CD2 3.22Å; F126-F359 HydrophobicContact CE1-CD2 3.22Å; F126-F359 AromaticContact CE1-CE2 3.71Å; F126-F359 HydrophobicContact CE1-CE2 3.71Å; F126-F359 HydrophobicContact CE1-CG 4Å; F126-F359 HydrophobicContact CG-CD2 4.29Å; F126-F359 AromaticContact CZ-CD2 3.85Å; F126-F359 HydrophobicContact CZ-CD2 3.85Å; F126-F359 AromaticContact CZ-CE2 3.99Å; F126-F359 HydrophobicContact CZ-CE2 3.99Å; A127-F359 PolarHBondContact N-O 3.5Å; L357-F359 WeakPolarHBondContact CD1-O 3.2Å; F359-F409 HydrophobicContact CB-CE2 4.25Å; F359-F409 HydrophobicContact CB-CZ 4.47Å; F359-F409 HydrophobicContact CD1-CE2 4.4Å; F359-F409 AromaticContact CD1-CZ 3.82Å; F359-F409 HydrophobicContact CD1-CZ 3.82Å; F359-A410 WeakPolarHBondContact CA-O 3.36Å; F359-S411 WeakPolarHBondContact CD1-OG 3.45Å; F359-S411 WeakPolarHBondContact CE1-OG 3.13Å; F359-Y413 AromaticContact CE1-CD2 3.89Å; F359-Y413 HydrophobicContact CE1-CD2 3.89Å; F359-Y413 HydrophobicContact CE1-CG 4.45Å; F359-Y413 HydrophobicContact CE2-CD2 4.29Å; F359-Y413 AromaticContact CZ-CD2 3.51Å; F359-Y413 HydrophobicContact CZ-CD2 3.51Å; F359-Y413 HydrophobicContact CZ-CE2 4.19Å; F359-Y413 HydrophobicContact CZ-CG 4.23Å; F359-V442 HydrophobicContact CE1-CB 4.16Å; F359-V442 HydrophobicContact CE1-CG1 4.07Å; F359-V442 HydrophobicContact CE1-CG2 3.75Å; F359-V442 HydrophobicContact CZ-CG2 3.9Å; F359-V444 HydrophobicContact CZ-CG1 3.98Å; F359-I457 HydrophobicContact CB-CD1 3.88Å; F359-I457 HydrophobicContact CD1-CD1 3.44Å; F359-I457 VanDerWaalsContact CD1-CD1 3.44Å; F359-I457 HydrophobicContact CD2-CD1 4.01Å; F359-I457 HydrophobicContact CE1-CD1 3.91Å; F359-I457 HydrophobicContact CE2-CD1 4.42Å; F359-I457 HydrophobicContact CG-CD1 3.48Å; F359-I457 VanDerWaalsContact CG-CD1 3.48Å; F359-I457 HydrophobicContact CZ-CD1 4.38Å; F359-F504 HydrophobicContact CD2-CZ 4.48Å; F359-F504 HydrophobicContact CE2-CE1 4.18Å; F359-F504 HydrophobicContact CE2-CE2 4.23Å; F359-F504 AromaticContact CE2-CZ 3.54Å; F359-F504 HydrophobicContact CE2-CZ 3.54Å; F359-F504 HydrophobicContact CZ-CE1 4.47Å; F359-F504 HydrophobicContact CZ-CE2 4.46Å; F359-F504 AromaticContact CZ-CZ 3.66Å; F359-F504 HydrophobicContact CZ-CZ 3.66Å
360L98.9Very high96.3Very high0 Ų019 Ų190%09%0.089CC..EExtended strand (participates in β ladder)trans-129.6125.1179.6177.371.2000110A127 I158 F353 L357 L362 L378 F382 F409 A410A127-L360 HydrophobicContact CB-CD1 3.92Å; A127-L360 CarbonylContact O-C 3.36Å; A127-L360 WeakPolarHBondContact O-CA 3.37Å; I158-L360 HydrophobicContact CD1-CD2 4.22Å; I158-L360 HydrophobicContact CG2-CD2 3.77Å; F353-L360 HydrophobicContact CE1-CD1 4.14Å; L357-L360 HydrophobicContact CD2-CB 4.33Å; L357-L360 HydrophobicContact CD2-CD1 4.24Å; L360-L362 HydrophobicContact CD1-CD2 3.73Å; L360-L362 HydrophobicContact CD1-CG 4.47Å; L360-L362 HydrophobicContact CD2-CD1 4.14Å; L360-L362 HydrophobicContact CD2-CD2 4.04Å; L360-L362 HydrophobicContact CD2-CG 4.11Å; L360-L362 HydrophobicContact CG-CD2 3.81Å; L360-L362 HydrophobicContact CG-CG 4.01Å; L360-L378 HydrophobicContact CD2-CD1 4.22Å; L360-L378 HydrophobicContact CD2-CD2 4.06Å; L360-F382 HydrophobicContact CB-CE2 4.29Å; L360-F382 HydrophobicContact CB-CZ 3.95Å; L360-F382 HydrophobicContact CD2-CE2 4.04Å; L360-F382 HydrophobicContact CD2-CZ 4.47Å; L360-F409 CarbonylContact O-C 3.58Å; L360-F409 WeakPolarHBondContact O-CA 3.19Å; L360-A410 HydrophobicContact CB-CB 4.3Å; L360-A410 PolarHBondContact N-O 3.33Å; L360-A410 PolarHBondContact O-N 3.27Å
361C98.9Very high96.2Very high3 Ų318.6 Ų18.62%0.029%0.086CC..EExtended strand (participates in β ladder)trans-111.9123.4174.7-58.50000109.5A127 T128 A129 C459A127-C361 PolarHBondContact O-N 3.28Å; T128-C361 CarbonylContact C-O 3.52Å; T128-C361 WeakPolarHBondContact CA-O 3.5Å; T128-C361 PolarHBondContact OG1-O 2.78Å; A129-C361 PolarHBondContact N-O 3.16Å; C361-C459 HydrophobicContact CB-CB 3.57Å
362L98.8Very high96.2Very high0 Ų021 Ų210%010%0.101CC..EExtended strand (participates in β ladder)trans-117139.8179.5-56.4-178.1000110.8A129 V131 I158 L360 V365 L374 L378 L407 L408A129-L362 HydrophobicContact CB-CD2 3.79Å; A129-L362 VanDerWaalsContact O-CA 3.3Å; A129-L362 WeakPolarHBondContact O-CA 3.4Å; V131-L362 HydrophobicContact CG1-CD2 4.01Å; I158-L362 HydrophobicContact CD1-CD2 4.48Å; L360-L362 HydrophobicContact CD1-CD2 3.73Å; L360-L362 HydrophobicContact CD1-CG 4.47Å; L360-L362 HydrophobicContact CD2-CD1 4.14Å; L360-L362 HydrophobicContact CD2-CD2 4.04Å; L360-L362 HydrophobicContact CD2-CG 4.11Å; L360-L362 HydrophobicContact CG-CD2 3.81Å; L360-L362 HydrophobicContact CG-CG 4.01Å; L362-V365 HydrophobicContact CB-CG2 3.8Å; L362-V365 HydrophobicContact CD1-CG2 4.48Å; L362-L374 HydrophobicContact CD1-CD2 3.69Å; L362-L374 HydrophobicContact CD1-CG 4.44Å; L362-L378 HydrophobicContact CD1-CD1 4.25Å; L362-L407 WeakPolarHBondContact O-CA 3.16Å; L362-L408 HydrophobicContact CB-CB 4.28Å; L362-L408 HydrophobicContact CD1-CD2 4.07Å; L362-L408 HydrophobicContact CG-CD2 4.42Å; L362-L408 PolarHBondContact N-O 3.25Å; L362-L408 PolarHBondContact O-N 2.62Å
363Q98.3Very high96.2Very high0 Ų021.2 Ų21.20%010%0.102CC..EExtended strand (participates in β ladder)trans-108.1158.8173.1-57.674.84200110.4T128 A129 N130 V131 V365 G406 L407 H461 D510T128-Q363 PolarHBondContact OG1-NE2 3.43Å; T128-Q363 PolarHBondContact OG1-OE1 2.92Å; A129-Q363 PolarHBondContact O-N 3.44Å; A129-Q363 PolarHBondContact O-OE1 3.44Å; A129-Q363 VanDerWaalsContact O-OE1 3.13Å; N130-Q363 HydrophobicContact CB-CB 4.15Å; V131-Q363 VanDerWaalsContact CG2-O 3.26Å; V131-Q363 WeakPolarHBondContact CG2-O 2.94Å; V131-Q363 PolarHBondContact N-O 2.63Å; V131-Q363 VanDerWaalsContact N-O 3.12Å; Q363-V365 VanDerWaalsContact C-N 3.33Å; Q363-V365 PolarHBondContact O-N 2.91Å; Q363-G406 CarbonylContact C-O 3.48Å; Q363-L407 HydrophobicContact CG-CD2 4.05Å; Q363-H461 HydrophobicContact CG-CB 4.23Å; Q363-D510 HydrophobicContact CG-CB 4.18Å
364E96.3Very high96.2Very high21 Ų2121.2 Ų21.210%0.09810%0.102CC..  trans57.733.1179.7-55.8-164.3-177.200116.8N130 C132 L133 L134 F366 G406 H461N130-E364 VanDerWaalsContact ND2-CD 3.29Å; N130-E364 WeakPolarHBondContact ND2-CG 3.46Å; N130-E364 PolarHBondContact ND2-OE1 3.45Å; N130-E364 VanDerWaalsContact OD1-CB 3.24Å; N130-E364 WeakPolarHBondContact OD1-CB 3.48Å; N130-E364 WeakPolarHBondContact OD1-CG 3.47Å; C132-E364 WeakPolarHBondContact CA-OE2 3.26Å; C132-E364 PolarHBondContact SG-OE2 3.32Å; L133-E364 CarbonylContact C-O 3.54Å; L133-E364 WeakPolarHBondContact CA-O 3.29Å; L133-E364 WeakPolarHBondContact CB-O 3.48Å; L133-E364 PolarHBondContact N-O 2.79Å; L134-E364 WeakPolarHBondContact CD1-OE2 3.23Å; E364-F366 HydrophobicContact CB-CD2 3.92Å; E364-F366 HydrophobicContact CB-CE2 3.62Å; E364-F366 HydrophobicContact CB-CZ 4.46Å; E364-F366 HydrophobicContact CG-CD2 4.39Å; E364-F366 HydrophobicContact CG-CE2 3.6Å; E364-F366 HydrophobicContact CG-CZ 4.22Å; E364-F366 PolarHBondContact O-N 3.35Å; E364-G406 PolarHBondContact N-O 3.07Å; E364-G406 VanDerWaalsContact N-O 3.15Å; E364-H461 IonicContact OE1-CE1 2.83Å; E364-H461 PolarHBondContact OE1-CE1 3.17Å; E364-H461 VanDerWaalsContact OE1-CE1 3.31Å; E364-H461 IonicContact OE1-NE2 2.82Å
365V97.4Very high96.3Very high5 Ų522.3 Ų22.33%0.0311%0.106CC..  trans-81.760.9168.7-165.70000110.5V131 L133 L362 Q363 A371 L374 G406 L408V131-V365 HydrophobicContact CG2-CG2 3.68Å; L133-V365 HydrophobicContact CD1-CG1 4.43Å; L362-V365 HydrophobicContact CB-CG2 3.8Å; L362-V365 HydrophobicContact CD1-CG2 4.48Å; Q363-V365 VanDerWaalsContact C-N 3.33Å; Q363-V365 PolarHBondContact O-N 2.91Å; V365-A371 HydrophobicContact CG1-CB 3.57Å; V365-L374 HydrophobicContact CG1-CD2 4.07Å; V365-L374 HydrophobicContact CG2-CD2 4.18Å; V365-G406 WeakPolarHBondContact CB-O 3.08Å; V365-G406 PolarHBondContact N-O 2.82Å; V365-L408 HydrophobicContact CB-CB 4.36Å; V365-L408 HydrophobicContact CG1-CD1 4.18Å; V365-L408 HydrophobicContact CG2-CB 3.99Å
366F93.5Very high96.5Very high9 Ų926.3 Ų26.34%0.03912%0.122CC..  trans-82.3-46.9-172.7-64.2-62.9000113.6L133 L134 E364 K368 L403 N404 A433L133-F366 PolarHBondContact O-N 2.74Å; L134-F366 HydrophobicContact CD2-CD2 3.82Å; L134-F366 HydrophobicContact CD2-CE2 4.01Å; L134-F366 HydrophobicContact CG-CD2 3.98Å; L134-F366 HydrophobicContact CG-CE2 4.49Å; E364-F366 HydrophobicContact CB-CD2 3.92Å; E364-F366 HydrophobicContact CB-CE2 3.62Å; E364-F366 HydrophobicContact CB-CZ 4.46Å; E364-F366 HydrophobicContact CG-CD2 4.39Å; E364-F366 HydrophobicContact CG-CE2 3.6Å; E364-F366 HydrophobicContact CG-CZ 4.22Å; E364-F366 PolarHBondContact O-N 3.35Å; F366-K368 WeakPolarHBondContact O-CE 3.35Å; F366-K368 PolarHBondContact O-N 2.94Å; F366-L403 HydrophobicContact CB-CD2 4.46Å; F366-L403 HydrophobicContact CD1-CB 4Å; F366-L403 HydrophobicContact CD1-CD1 4.47Å; F366-L403 HydrophobicContact CE1-CB 4.42Å; F366-L403 HydrophobicContact CG-CD1 4.4Å; F366-N404 VanDerWaalsContact CE1-O 3.25Å; F366-N404 WeakPolarHBondContact CE1-O 3.09Å; F366-A433 HydrophobicContact CE1-CB 4.09Å; F366-A433 HydrophobicContact CZ-CB 4.3Å
367D93.9Very high96.7Very high16 Ų1625.4 Ų25.49%0.08612%0.117CC..  trans-68.5117.9-178.1179.7-83000110.8L133 T147 Q148 R369 A370 A371L133-D367 PolarHBondContact O-N 2.56Å; T147-D367 HydrophobicContact CG2-CB 4.16Å; Q148-D367 PolarHBondContact NE2-OD1 2.75Å; D367-R369 VanDerWaalsContact C-N 3.27Å; D367-R369 PolarHBondContact O-N 3.05Å; D367-R369 WeakPolarHBondContact OD1-CB 3.43Å; D367-R369 PolarHBondContact OD1-N 2.95Å; D367-A370 HydrophobicContact CB-CB 3.85Å; D367-A370 WeakPolarHBondContact O-CB 3.3Å; D367-A370 PolarHBondContact O-N 2.87Å; D367-A370 WeakPolarHBondContact OD1-CB 3.38Å; D367-A370 PolarHBondContact OD1-N 3Å; D367-A371 WeakPolarHBondContact O-CB 3.34Å; D367-A371 PolarHBondContact O-N 2.96Å
368K91.8Very high96.7Very high62 Ų6225.4 Ų25.427%0.2712%0.117SC..Hα-helixtrans-63.5-30.9-172.9-60-62.7133-164.60113.7F366 T372 D388 Y392 N404F366-K368 WeakPolarHBondContact O-CE 3.35Å; F366-K368 PolarHBondContact O-N 2.94Å; K368-T372 PolarHBondContact O-N 3.31Å; K368-T372 VanDerWaalsContact O-N 3.09Å; K368-T372 PolarHBondContact O-OG1 2.81Å; K368-D388 WeakPolarHBondContact CE-OD1 3.2Å; K368-D388 IonicContact NZ-OD1 3.71Å; K368-D388 PolarHBondContact NZ-OD1 3.01Å; K368-Y392 WeakPolarHBondContact CE-OH 3.48Å; K368-Y392 PolarHBondContact NZ-OH 3.17Å; K368-N404 PolarHBondContact NZ-ND2 3.2Å; K368-N404 PolarHBondContact NZ-OD1 3.2Å
369R94.3Very high96.6Very high115 Ų11526.4 Ų26.443%0.43412%0.121SC..Hα-helixtrans-77.8-42-178.8-65.3165.4176-146.8-12.4110.1F25 Q148 D367 T372 K373F25-R369 VanDerWaalsContact CD1-NH2 3.3Å; Q148-R369 VanDerWaalsContact OE1-CB 3.27Å; D367-R369 VanDerWaalsContact C-N 3.27Å; D367-R369 PolarHBondContact O-N 3.05Å; D367-R369 WeakPolarHBondContact OD1-CB 3.43Å; D367-R369 PolarHBondContact OD1-N 2.95Å; R369-T372 WeakPolarHBondContact O-CB 3.44Å; R369-T372 PolarHBondContact O-N 3.2Å; R369-K373 WeakPolarHBondContact O-CG 3.4Å; R369-K373 PolarHBondContact O-N 3.19Å
370A96.5Very high96.3Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-60.1-46.3171.100000110.6L133 T147 A151 D367 T372 K373 L374L133-A370 HydrophobicContact CB-CB 4.37Å; L133-A370 HydrophobicContact CD1-CB 4.39Å; T147-A370 HydrophobicContact CG2-CB 3.74Å; A151-A370 HydrophobicContact CB-CB 3.68Å; A151-A370 WeakPolarHBondContact CB-O 3.21Å; D367-A370 HydrophobicContact CB-CB 3.85Å; D367-A370 WeakPolarHBondContact O-CB 3.3Å; D367-A370 PolarHBondContact O-N 2.87Å; D367-A370 WeakPolarHBondContact OD1-CB 3.38Å; D367-A370 PolarHBondContact OD1-N 3Å; A370-T372 VanDerWaalsContact C-N 3.26Å; A370-T372 PolarHBondContact O-N 3.25Å; A370-K373 PolarHBondContact O-N 3.13Å; A370-K373 VanDerWaalsContact O-N 3.11Å; A370-L374 WeakPolarHBondContact O-CB 3.24Å; A370-L374 PolarHBondContact O-N 3.36Å
371A96.4Very high96.2Very high4 Ų430.3 Ų30.33%0.03315%0.148CC..Hα-helixtrans-55.6-40.8174.100000112.2V365 D367 K375V365-A371 HydrophobicContact CG1-CB 3.57Å; D367-A371 WeakPolarHBondContact O-CB 3.34Å; D367-A371 PolarHBondContact O-N 2.96Å; A371-K375 VanDerWaalsContact O-CB 3.25Å; A371-K375 WeakPolarHBondContact O-CB 3.47Å; A371-K375 PolarHBondContact O-N 3.07Å
372T95.6Very high96Very high53 Ų5330.2 Ų30.233%0.32515%0.147SC..Hα-helixtrans-64.4-46.7176.3-58.30000111.2K368 R369 A370 K375 E376K368-T372 PolarHBondContact O-N 3.31Å; K368-T372 VanDerWaalsContact O-N 3.09Å; K368-T372 PolarHBondContact O-OG1 2.81Å; R369-T372 WeakPolarHBondContact O-CB 3.44Å; R369-T372 PolarHBondContact O-N 3.2Å; A370-T372 VanDerWaalsContact C-N 3.26Å; A370-T372 PolarHBondContact O-N 3.25Å; T372-K375 PolarHBondContact O-N 2.94Å; T372-E376 VanDerWaalsContact O-CG 3.29Å; T372-E376 WeakPolarHBondContact O-CG 3.39Å; T372-E376 PolarHBondContact O-N 2.82Å
373K97.8Very high95.8Very high81 Ų8132 Ų3235%0.35216%0.156SC..Hα-helixtrans-62.7-42.3177.4-67.3-71.6148.5-143.20112.4A151 R369 A370 E376 Q377A151-K373 HydrophobicContact CB-CB 4.47Å; R369-K373 WeakPolarHBondContact O-CG 3.4Å; R369-K373 PolarHBondContact O-N 3.19Å; A370-K373 PolarHBondContact O-N 3.13Å; A370-K373 VanDerWaalsContact O-N 3.11Å; K373-E376 IonicContact NZ-OE1 3.78Å; K373-E376 IonicContact NZ-OE2 2.83Å; K373-E376 PolarHBondContact NZ-OE2 2.98Å; K373-E376 PolarHBondContact O-N 2.88Å; K373-Q377 WeakPolarHBondContact O-CG 3.18Å; K373-Q377 PolarHBondContact O-N 2.97Å
374L98.4Very high95.8Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-61.2-51.3175.7177.460.7000110.9L133 A151 I154 G155 L362 V365 A370 E376 Q377 L378 L408L133-L374 HydrophobicContact CD1-CD2 3.77Å; A151-L374 HydrophobicContact CB-CB 4.36Å; I154-L374 HydrophobicContact CG2-CD1 4.07Å; G155-L374 VanDerWaalsContact CA-CD1 3.48Å; L362-L374 HydrophobicContact CD1-CD2 3.69Å; L362-L374 HydrophobicContact CD1-CG 4.44Å; V365-L374 HydrophobicContact CG1-CD2 4.07Å; V365-L374 HydrophobicContact CG2-CD2 4.18Å; A370-L374 WeakPolarHBondContact O-CB 3.24Å; A370-L374 PolarHBondContact O-N 3.36Å; L374-E376 PolarHBondContact O-N 2.89Å; L374-Q377 PolarHBondContact O-N 2.68Å; L374-Q377 VanDerWaalsContact O-N 3.13Å; L374-L378 HydrophobicContact CD1-CD1 4.01Å; L374-L378 HydrophobicContact CD1-CG 4.13Å; L374-L378 HydrophobicContact CG-CD1 3.91Å; L374-L378 HydrophobicContact CG-CG 4.39Å; L374-L378 WeakPolarHBondContact O-CG 3.47Å; L374-L378 PolarHBondContact O-N 3.42Å; L374-L408 HydrophobicContact CD2-CD1 4.28Å
375K96.9Very high95.9Very high30 Ų3031.8 Ų31.813%0.1315%0.154CC..Hα-helixtrans-57.3-44.6177.2-179.5-173.268173.40112.5A371 T372 Q377 L378 H379 I385 Y387A371-K375 VanDerWaalsContact O-CB 3.25Å; A371-K375 WeakPolarHBondContact O-CB 3.47Å; A371-K375 PolarHBondContact O-N 3.07Å; T372-K375 PolarHBondContact O-N 2.94Å; K375-Q377 VanDerWaalsContact C-N 3.25Å; K375-Q377 PolarHBondContact O-N 2.83Å; K375-L378 PolarHBondContact O-N 2.9Å; K375-H379 PolarHBondContact O-N 2.99Å; K375-I385 HydrophobicContact CG-CD1 3.99Å; K375-I385 HydrophobicContact CG-CG2 4.24Å; K375-Y387 HydrophobicContact CD-CD1 3.88Å; K375-Y387 HydrophobicContact CD-CE1 3.78Å; K375-Y387 HydrophobicContact CD-CG 4.37Å; K375-Y387 PolarHBondContact NZ-OH 2.77Å
376E96.1Very high95.8Very high94 Ų9431.5 Ų31.544%0.43915%0.153SC..Hα-helixtrans-55.8-40.5176.8-77.2168.5-177.900111.8T372 K373 L374T372-E376 VanDerWaalsContact O-CG 3.29Å; T372-E376 WeakPolarHBondContact O-CG 3.39Å; T372-E376 PolarHBondContact O-N 2.82Å; K373-E376 IonicContact NZ-OE1 3.78Å; K373-E376 IonicContact NZ-OE2 2.83Å; K373-E376 PolarHBondContact NZ-OE2 2.98Å; K373-E376 PolarHBondContact O-N 2.88Å; L374-E376 PolarHBondContact O-N 2.89Å
377Q97.5Very high96Very high37 Ų3733 Ų3317%0.17316%0.158CC..Hα-helixtrans-72.4-45.8175.9-62.6-55.6-48.500112K152 R159 K373 L374 K375 H379 G380K152-Q377 HydrophobicContact CG-CG 4.16Å; K152-Q377 WeakPolarHBondContact O-CG 2.91Å; R159-Q377 WeakPolarHBondContact CD-O 3.45Å; K373-Q377 WeakPolarHBondContact O-CG 3.18Å; K373-Q377 PolarHBondContact O-N 2.97Å; L374-Q377 PolarHBondContact O-N 2.68Å; L374-Q377 VanDerWaalsContact O-N 3.13Å; K375-Q377 VanDerWaalsContact C-N 3.25Å; K375-Q377 PolarHBondContact O-N 2.83Å; Q377-H379 VanDerWaalsContact C-N 3.31Å; Q377-H379 PolarHBondContact O-N 2.84Å; Q377-G380 PolarHBondContact O-N 3.19Å; Q377-G380 VanDerWaalsContact O-N 3.08Å
378L97.6Very high95.9Very high0 Ų032.8 Ų32.80%016%0.157CC..Hα-helixtrans-63.8-33.8-177.3-69178.8000112.9I158 L360 L362 L374 K375 G380 Y381 F382 I385 L408I158-L378 HydrophobicContact CB-CD2 4.05Å; I158-L378 HydrophobicContact CD1-CD2 4.45Å; I158-L378 HydrophobicContact CG2-CD2 3.71Å; L360-L378 HydrophobicContact CD2-CD1 4.22Å; L360-L378 HydrophobicContact CD2-CD2 4.06Å; L362-L378 HydrophobicContact CD1-CD1 4.25Å; L374-L378 HydrophobicContact CD1-CD1 4.01Å; L374-L378 HydrophobicContact CD1-CG 4.13Å; L374-L378 HydrophobicContact CG-CD1 3.91Å; L374-L378 HydrophobicContact CG-CG 4.39Å; L374-L378 WeakPolarHBondContact O-CG 3.47Å; L374-L378 PolarHBondContact O-N 3.42Å; K375-L378 PolarHBondContact O-N 2.9Å; L378-G380 PolarHBondContact O-N 2.78Å; L378-G380 VanDerWaalsContact O-N 3.11Å; L378-Y381 PolarHBondContact O-N 2.77Å; L378-F382 HydrophobicContact CB-CD2 4.29Å; L378-F382 HydrophobicContact CD2-CD2 4.26Å; L378-F382 HydrophobicContact CD2-CE2 4.26Å; L378-F382 PolarHBondContact O-N 2.82Å; L378-I385 HydrophobicContact CB-CD1 3.79Å; L378-L408 HydrophobicContact CD1-CD2 4.11Å
379H95.7Very high95.9Very high23 Ų2329.9 Ų29.911%0.10614%0.144CC..THydrogen-bonded Turntrans-61-18.9175.1-95.1-41000113.7S98 L100 K375 Q377 Y381 F382 E383 I385S98-H379 PolarHBondContact OG-NE2 2.88Å; L100-H379 HydrophobicContact CD2-CB 4.37Å; L100-H379 WeakPolarHBondContact CD2-O 3.13Å; K375-H379 PolarHBondContact O-N 2.99Å; Q377-H379 VanDerWaalsContact C-N 3.31Å; Q377-H379 PolarHBondContact O-N 2.84Å; H379-Y381 PolarHBondContact O-N 3.48Å; H379-F382 WeakPolarHBondContact CA-O 3.11Å; H379-F382 PolarHBondContact ND1-O 2.82Å; H379-E383 PolarHBondContact CE1-O 2.77Å; H379-I385 HydrophobicContact CB-CD1 4.41Å
380G92.8Very high95.5Very high39 Ų3924.4 Ų24.440%0.40212%0.124SC..THydrogen-bonded Turntrans-66.70170.700000114.5R159 Q377 L378R159-G380 PolarHBondContact NE-O 3.32Å; Q377-G380 PolarHBondContact O-N 3.19Å; Q377-G380 VanDerWaalsContact O-N 3.08Å; L378-G380 PolarHBondContact O-N 2.78Å; L378-G380 VanDerWaalsContact O-N 3.11Å
381Y94.8Very high94.6Very high45 Ų4525.6 Ų25.618%0.17613%0.132CC..THydrogen-bonded Turntrans-145.7-43177-178.2-97.7000113.4A162 A163 N356 L357 L378 H379 R412A162-Y381 HydrophobicContact CB-CD1 3.84Å; A162-Y381 HydrophobicContact CB-CD2 4.47Å; A162-Y381 HydrophobicContact CB-CE1 3.49Å; A162-Y381 VanDerWaalsContact CB-CE1 3.49Å; A162-Y381 HydrophobicContact CB-CE2 4.16Å; A162-Y381 HydrophobicContact CB-CG 4.3Å; A162-Y381 WeakPolarHBondContact O-CE2 3.35Å; A162-Y381 PolarHBondContact O-OH 3.02Å; A162-Y381 VanDerWaalsContact O-OH 3.08Å; A163-Y381 HydrophobicContact CB-CD2 3.82Å; A163-Y381 HydrophobicContact CB-CE2 4.07Å; N356-Y381 VanDerWaalsContact CA-OH 3.27Å; N356-Y381 WeakPolarHBondContact CA-OH 3.13Å; L357-Y381 PolarHBondContact N-OH 3.12Å; L357-Y381 WeakPolarHBondContact O-CE1 3.43Å; L357-Y381 PolarHBondContact O-OH 3.49Å; L378-Y381 PolarHBondContact O-N 2.77Å; H379-Y381 PolarHBondContact O-N 3.48Å; Y381-R412 HydrophobicContact CE1-CG 4.05Å; Y381-R412 PolarHBondContact OH-NH1 3.03Å
382F96.2Very high93.5Very high0 Ų026.2 Ų26.20%013%0.133CC..  trans-92.9122178.6-63.7-74.1000111.6I158 L357 L360 L378 H379 I385 A410 R412I158-F382 HydrophobicContact CG2-CE2 4.37Å; L357-F382 HydrophobicContact CB-CZ 4.4Å; L357-F382 HydrophobicContact CD2-CZ 3.84Å; L357-F382 HydrophobicContact CG-CE1 4.45Å; L357-F382 HydrophobicContact CG-CZ 3.94Å; L360-F382 HydrophobicContact CB-CE2 4.29Å; L360-F382 HydrophobicContact CB-CZ 3.95Å; L360-F382 HydrophobicContact CD2-CE2 4.04Å; L360-F382 HydrophobicContact CD2-CZ 4.47Å; L378-F382 HydrophobicContact CB-CD2 4.29Å; L378-F382 HydrophobicContact CD2-CD2 4.26Å; L378-F382 HydrophobicContact CD2-CE2 4.26Å; L378-F382 PolarHBondContact O-N 2.82Å; H379-F382 WeakPolarHBondContact CA-O 3.11Å; H379-F382 PolarHBondContact ND1-O 2.82Å; F382-I385 HydrophobicContact CB-CD1 4.49Å; F382-I385 HydrophobicContact CB-CG1 4.27Å; F382-A410 HydrophobicContact CB-CB 3.91Å; F382-A410 HydrophobicContact CD1-CB 4.15Å; F382-A410 HydrophobicContact CD2-CB 3.79Å; F382-A410 HydrophobicContact CE2-CB 4.32Å; F382-A410 HydrophobicContact CG-CB 3.69Å; F382-R412 HydrophobicContact CD1-CG 3.83Å; F382-R412 HydrophobicContact CE1-CG 4.08Å
383E95.1Very high92Very high39 Ų3923.8 Ų23.818%0.18212%0.118CC..SBendtrans-72.6-38.7178.1-173.8-177.4163.100111.6R99 L100 H379 S411R99-E383 WeakPolarHBondContact CA-O 3.22Å; R99-E383 HydrophobicContact CG-CG 4.18Å; R99-E383 IonicContact CZ-OE1 3.85Å; R99-E383 VanDerWaalsContact CZ-OE1 3.28Å; R99-E383 IonicContact NE-OE1 3.91Å; R99-E383 PolarHBondContact NE-OE1 2.88Å; R99-E383 IonicContact NH2-OE1 3.78Å; R99-E383 PolarHBondContact NH2-OE1 2.91Å; L100-E383 PolarHBondContact N-O 2.85Å; L100-E383 VanDerWaalsContact N-O 3.08Å; H379-E383 PolarHBondContact CE1-O 2.77Å; E383-S411 PolarHBondContact N-O 3.07Å
384Y96.7Very high90.3Very high15 Ų1523.7 Ų23.76%0.05913%0.127CC..EExtended strand (participates in β ladder)trans-111.2114.7-171-53.4-77.5000110.5Y97 R99 A410 S411 Y413 P414Y97-Y384 HydrophobicContact CE2-CD1 4.06Å; Y97-Y384 AromaticContact CZ-CD1 3.98Å; Y97-Y384 WeakPolarHBondContact OH-CD1 3.29Å; Y97-Y384 WeakPolarHBondContact OH-CE1 3.49Å; R99-Y384 HydrophobicContact CG-CD1 4.16Å; R99-Y384 HydrophobicContact CG-CE1 4.04Å; R99-Y384 PolarHBondContact NH2-OH 3.37Å; Y384-A410 CarbonylContact O-C 3.58Å; Y384-A410 WeakPolarHBondContact O-CA 3.49Å; Y384-S411 PolarHBondContact N-O 3.32Å; Y384-S411 PolarHBondContact O-N 2.95Å; Y384-Y413 WeakPolarHBondContact CD2-O 3.39Å; Y384-Y413 VanDerWaalsContact CE2-C 3.47Å; Y384-P414 HydrophobicContact CE1-CB 4.34Å; Y384-P414 HydrophobicContact CE2-CB 4.43Å; Y384-P414 HydrophobicContact CE2-CG 4.07Å
385I98.2Very high88.4Confident0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-128.4125.7179.2-55.3-177.6000109.9S98 K375 L378 H379 F382 L408 F409 A410S98-I385 PolarHBondContact N-O 3.03Å; S98-I385 PolarHBondContact O-N 3.08Å; K375-I385 HydrophobicContact CG-CD1 3.99Å; K375-I385 HydrophobicContact CG-CG2 4.24Å; L378-I385 HydrophobicContact CB-CD1 3.79Å; H379-I385 HydrophobicContact CB-CD1 4.41Å; F382-I385 HydrophobicContact CB-CD1 4.49Å; F382-I385 HydrophobicContact CB-CG1 4.27Å; I385-L408 HydrophobicContact CG2-CD2 4.07Å; I385-L408 HydrophobicContact CG2-CG 4.26Å; I385-F409 CarbonylContact C-O 3.5Å; I385-F409 WeakPolarHBondContact CA-O 3.38Å; I385-A410 HydrophobicContact CG1-CB 4.02Å
386L97.1Very high86.6Confident0 Ų029.5 Ų29.50%018%0.175CC..EExtended strand (participates in β ladder)trans-101.8128.3165.7-72.5167.5000109.4Y95 I96 Y97 L408 F409 I415 V418 L440Y95-L386 HydrophobicContact CD2-CD2 3.43Å; Y95-L386 VanDerWaalsContact CD2-CD2 3.43Å; Y95-L386 HydrophobicContact CE2-CD2 3.81Å; Y95-L386 HydrophobicContact CG-CD2 4.22Å; I96-L386 WeakPolarHBondContact O-CA 3.45Å; Y97-L386 HydrophobicContact CD2-CD2 3.97Å; Y97-L386 HydrophobicContact CD2-CG 4.34Å; Y97-L386 HydrophobicContact CG-CD2 4.3Å; L386-L408 WeakPolarHBondContact O-CA 3.46Å; L386-L408 WeakPolarHBondContact O-CG 3.49Å; L386-F409 HydrophobicContact CB-CB 4.34Å; L386-F409 HydrophobicContact CD1-CD1 4.46Å; L386-F409 PolarHBondContact N-O 2.76Å; L386-F409 PolarHBondContact O-N 3.11Å; L386-I415 HydrophobicContact CD1-CD1 3.61Å; L386-I415 HydrophobicContact CD1-CG2 4.27Å; L386-I415 HydrophobicContact CG-CD1 3.75Å; L386-V418 HydrophobicContact CD1-CB 4.17Å; L386-V418 HydrophobicContact CD1-CG2 3.8Å; L386-L440 HydrophobicContact CD1-CD2 3.43Å; L386-L440 VanDerWaalsContact CD1-CD2 3.43Å
387Y95.8Very high84.4Confident40 Ų4031.8 Ų31.816%0.15720%0.2CC..EExtended strand (participates in β ladder)trans-143.8175.3179.373.7-73.7000110.3I96 K375 V389I96-Y387 HydrophobicContact CB-CD1 4.11Å; I96-Y387 HydrophobicContact CB-CE1 3.63Å; I96-Y387 HydrophobicContact CB-CE2 4.42Å; I96-Y387 HydrophobicContact CD1-CE2 4.01Å; I96-Y387 HydrophobicContact CG2-CD1 4.39Å; I96-Y387 HydrophobicContact CG2-CE1 3.5Å; I96-Y387 VanDerWaalsContact CG2-CE1 3.5Å; I96-Y387 PolarHBondContact N-O 3.45Å; I96-Y387 VanDerWaalsContact O-CD1 3.32Å; I96-Y387 WeakPolarHBondContact O-CD1 3.39Å; I96-Y387 PolarHBondContact O-N 2.78Å; K375-Y387 HydrophobicContact CD-CD1 3.88Å; K375-Y387 HydrophobicContact CD-CE1 3.78Å; K375-Y387 HydrophobicContact CD-CG 4.37Å; K375-Y387 PolarHBondContact NZ-OH 2.77Å; Y387-V389 PolarHBondContact O-N 2.79Å
388D92.5Very high82.3Confident12 Ų1233 Ų336%0.06421%0.212CC..SBendtrans56.737.1-178.6-162.929.4000112.6R92 I96 K368 Y392 N404R92-D388 IonicContact CZ-OD2 3.51Å; R92-D388 IonicContact NE-OD2 2.74Å; R92-D388 IonicContact NH2-OD2 2.94Å; R92-D388 PolarHBondContact NH2-OD2 3.34Å; I96-D388 HydrophobicContact CD1-CB 3.89Å; I96-D388 WeakPolarHBondContact CD1-OD2 3.47Å; I96-D388 HydrophobicContact CG1-CB 4.15Å; K368-D388 WeakPolarHBondContact CE-OD1 3.2Å; K368-D388 IonicContact NZ-OD1 3.71Å; K368-D388 PolarHBondContact NZ-OD1 3.01Å; D388-Y392 PolarHBondContact OD1-OH 3.18Å; D388-N404 PolarHBondContact OD1-ND2 3.16Å
389V91.3Very high80.5Confident0 Ų035.3 Ų35.30%023%0.228CC..  trans-72139.6-178.8177.80000109.5P94 Y387 N404 S405 L407 Y420 L438P94-V389 CarbonylContact O-C 3.52Å; P94-V389 VanDerWaalsContact O-CA 3.25Å; P94-V389 WeakPolarHBondContact O-CA 3.4Å; Y387-V389 PolarHBondContact O-N 2.79Å; V389-N404 WeakPolarHBondContact O-CB 3.31Å; V389-N404 PolarHBondContact O-ND2 2.76Å; V389-S405 VanDerWaalsContact C-OG 3.27Å; V389-S405 WeakPolarHBondContact O-CB 3.34Å; V389-S405 PolarHBondContact O-N 3.19Å; V389-S405 VanDerWaalsContact O-N 3.11Å; V389-S405 PolarHBondContact O-OG 2.93Å; V389-L407 HydrophobicContact CB-CB 4.18Å; V389-L407 HydrophobicContact CG1-CB 4.34Å; V389-Y420 HydrophobicContact CG1-CD2 3.32Å; V389-Y420 HydrophobicContact CG1-CE2 3.98Å; V389-Y420 HydrophobicContact CG1-CG 3.61Å; V389-L438 HydrophobicContact CG1-CB 4.5Å; V389-L438 HydrophobicContact CG1-CD1 3.94Å; V389-L438 HydrophobicContact CG2-CD1 4.29Å; V389-L438 HydrophobicContact CG2-CD2 4.13Å
390G85.8Confident79.1Confident1 Ų137.3 Ų37.31%0.0124%0.236CC..SBendtrans114.5-177.7173.400000114.4P94 Y420P94-G390 PolarHBondContact O-N 3.33Å; G390-Y420 VanDerWaalsContact CA-CE1 3.43Å
391V79.4Confident78.5Confident25 Ų2535.7 Ų35.715%0.15222%0.218CC..  trans-107.1153.3-175.8-59.40000110.8K401 C422 S434V391-K401 HydrophobicContact CG2-CG 4.33Å; V391-C422 HydrophobicContact CG2-CB 4.44Å; V391-S434 PolarHBondContact N-OG 2.89Å; V391-S434 PolarHBondContact O-OG 3.25Å; V391-S434 VanDerWaalsContact O-OG 3.04Å
392Y71.9Confident77.4Confident17 Ų1736.5 Ų36.57%0.06723%0.23CC..  trans-126.1156.2174.2-63.3-89000109.9W85 Q89 R92 K368 D388 N404W85-Y392 HydrophobicContact CZ2-CD1 4.2Å; W85-Y392 HydrophobicContact CZ2-CG 4.38Å; Q89-Y392 VanDerWaalsContact CB-O 3.3Å; Q89-Y392 WeakPolarHBondContact CB-O 3.4Å; R92-Y392 VanDerWaalsContact CD-CD2 3.48Å; K368-Y392 WeakPolarHBondContact CE-OH 3.48Å; K368-Y392 PolarHBondContact NZ-OH 3.17Å; D388-Y392 PolarHBondContact OD1-OH 3.18Å; Y392-N404 HydrophobicContact CD1-CB 4.46Å; Y392-N404 HydrophobicContact CE1-CB 3.76Å; Y392-N404 HydrophobicContact CE2-CB 3.85Å; Y392-N404 VanDerWaalsContact CZ-CB 3.44Å; Y392-N404 WeakPolarHBondContact OH-CB 3.47Å
393G65.4Low76.5Confident1 Ų138.3 Ų38.31%0.0124%0.239CC..BIsolated β-bridgetrans66.7-155.6177.200000112.9K401G393-K401 PolarHBondContact N-O 2.88Å; G393-K401 PolarHBondContact O-N 2.9Å
394C62Low76.1Confident79 Ų7936.5 Ų36.553%0.53423%0.231SC..  trans-94.1113.5174-59.50000108.8
395Q57.8Low75.8Confident76 Ų7635.8 Ų35.836%0.35523%0.228SC..  trans-119.9116.8172.6-160.11715.500108.9C398Q395-C398 WeakPolarHBondContact O-CB 3.45Å; Q395-C398 PolarHBondContact O-N 3.36Å
396G59.9Low75.7Confident76 Ų7635.8 Ų35.878%0.78423%0.228SC*.THydrogen-bonded Turntrans64.5-132.4-174.700000112.7C398G396-C398 VanDerWaalsContact C-N 3.33Å
397C48.3Very low75.7Confident142 Ų14235.9 Ų35.996%0.95923%0.229SC*.THydrogen-bonded Turntrans-8911179.4-59.70000114
398C53.4Low75.8Confident63 Ų6334 Ų3443%0.42622%0.221SC..SBendtrans-84.2150.4-176.9-650000112.6Q395 G396Q395-C398 WeakPolarHBondContact O-CB 3.45Å; Q395-C398 PolarHBondContact O-N 3.36Å; G396-C398 VanDerWaalsContact C-N 3.33Å
399S60.8Low76.1Confident49 Ų4933.5 Ų33.534%0.34322%0.218SC..PPolyproline II helixtrans-61.4153.1171.269.90000111.5K401S399-K401 PolarHBondContact O-N 2.99Å; S399-K401 PolarHBondContact OG-NZ 3.19Å
400F67.1Low76.5Confident65 Ų6533.5 Ų33.529%0.28522%0.218SC..PPolyproline II helixtrans-58123.9178.3-176.1-90.7000111.6F82 W85 C402F82-F400 HydrophobicContact CE2-CE2 4.08Å; F82-F400 AromaticContact CE2-CZ 3.61Å; F82-F400 HydrophobicContact CE2-CZ 3.61Å; F82-F400 AromaticContact CZ-CE2 3.86Å; F82-F400 HydrophobicContact CZ-CE2 3.86Å; F82-F400 AromaticContact CZ-CZ 3.83Å; F82-F400 HydrophobicContact CZ-CZ 3.83Å; W85-F400 HydrophobicContact CH2-CZ 4.09Å; W85-F400 AromaticContact CZ3-CE2 3.99Å; W85-F400 HydrophobicContact CZ3-CE2 3.99Å; W85-F400 AromaticContact CZ3-CZ 3.62Å; W85-F400 HydrophobicContact CZ3-CZ 3.62Å; F400-C402 WeakPolarHBondContact CE1-SG 3.25Å
401K78.6Confident77.1Confident5 Ų533.4 Ų33.42%0.02222%0.218CC..BIsolated β-bridgetrans-104120.3178.7-56.3-55.7-175.4169.80111.9V391 G393 S399 A431 A433V391-K401 HydrophobicContact CG2-CG 4.33Å; G393-K401 PolarHBondContact N-O 2.88Å; G393-K401 PolarHBondContact O-N 2.9Å; S399-K401 PolarHBondContact O-N 2.99Å; S399-K401 PolarHBondContact OG-NZ 3.19Å; K401-A431 WeakPolarHBondContact CD-O 3.48Å; K401-A431 WeakPolarHBondContact CE-O 3.5Å; K401-A431 PolarHBondContact NZ-O 3.24Å; K401-A433 PolarHBondContact NZ-O 3.17Å; K401-A433 VanDerWaalsContact NZ-O 3.16Å
402C72.1Confident77.8Confident61 Ų6134.4 Ų34.441%0.41222%0.219SC..SBendtrans-85.9-38.9177-66.40000112.2F400 L432F400-C402 WeakPolarHBondContact CE1-SG 3.25Å; C402-L432 HydrophobicContact CB-CB 4.43Å; C402-L432 PolarHBondContact N-O 3.45Å
403L78.3Confident79Confident39 Ų3934.1 Ų34.120%0.20422%0.218CC..BIsolated β-bridgetrans-110.1143.7178.4-59.8175.8000108.6L138 F366 L432 A433 S434L138-L403 HydrophobicContact CD1-CD1 4.43Å; F366-L403 HydrophobicContact CB-CD2 4.46Å; F366-L403 HydrophobicContact CD1-CB 4Å; F366-L403 HydrophobicContact CD1-CD1 4.47Å; F366-L403 HydrophobicContact CE1-CB 4.42Å; F366-L403 HydrophobicContact CG-CD1 4.4Å; L403-L432 PolarHBondContact N-O 2.82Å; L403-A433 HydrophobicContact CB-CB 4.21Å; L403-A433 WeakPolarHBondContact O-CA 3.49Å; L403-S434 PolarHBondContact O-N 3.4Å
404N85.9Confident80.4Confident1 Ų136.4 Ų36.41%0.00523%0.232CC..  trans-72.5-162171.668.9-37.2000111F366 K368 D388 V389 Y392 G406 S434F366-N404 VanDerWaalsContact CE1-O 3.25Å; F366-N404 WeakPolarHBondContact CE1-O 3.09Å; K368-N404 PolarHBondContact NZ-ND2 3.2Å; K368-N404 PolarHBondContact NZ-OD1 3.2Å; D388-N404 PolarHBondContact OD1-ND2 3.16Å; V389-N404 WeakPolarHBondContact O-CB 3.31Å; V389-N404 PolarHBondContact O-ND2 2.76Å; Y392-N404 HydrophobicContact CD1-CB 4.46Å; Y392-N404 HydrophobicContact CE1-CB 3.76Å; Y392-N404 HydrophobicContact CE2-CB 3.85Å; Y392-N404 VanDerWaalsContact CZ-CB 3.44Å; Y392-N404 WeakPolarHBondContact OH-CB 3.47Å; N404-G406 VanDerWaalsContact C-N 3.26Å; N404-G406 PolarHBondContact O-N 3.38Å; N404-S434 WeakPolarHBondContact CA-OG 3.24Å; N404-S434 PolarHBondContact O-N 3.29Å
405S91.3Very high82Confident0 Ų033.1 Ų33.10%021%0.209CC..  trans-70.5-20.8-177.270.10000114.6V389 L407 S434V389-S405 VanDerWaalsContact C-OG 3.27Å; V389-S405 WeakPolarHBondContact O-CB 3.34Å; V389-S405 PolarHBondContact O-N 3.19Å; V389-S405 VanDerWaalsContact O-N 3.11Å; V389-S405 PolarHBondContact O-OG 2.93Å; S405-L407 PolarHBondContact O-N 3.36Å; S405-L407 WeakPolarHBondContact OG-CB 3.35Å; S405-L407 WeakPolarHBondContact OG-CG 3.18Å; S405-L407 PolarHBondContact OG-N 3.04Å; S405-L407 VanDerWaalsContact OG-N 3.07Å; S405-S434 WeakPolarHBondContact CA-O 3.28Å; S405-S434 WeakPolarHBondContact CB-O 3.33Å; S405-S434 PolarHBondContact N-OG 3.08Å
406G94.4Very high83.7Confident0 Ų031.1 Ų31.10%020%0.2CC..  trans70.26.6-169.300000113.8Q363 E364 V365 N404Q363-G406 CarbonylContact C-O 3.48Å; E364-G406 PolarHBondContact N-O 3.07Å; E364-G406 VanDerWaalsContact N-O 3.15Å; V365-G406 WeakPolarHBondContact CB-O 3.08Å; V365-G406 PolarHBondContact N-O 2.82Å; N404-G406 VanDerWaalsContact C-N 3.26Å; N404-G406 PolarHBondContact O-N 3.38Å
407L97.8Very high85.4Confident2 Ų228.8 Ų28.81%0.0117%0.17CC..  trans-81.6138.1178.2-57.1177.7000111.6L362 Q363 V389 S405 Y420 L438 H461L362-L407 WeakPolarHBondContact O-CA 3.16Å; Q363-L407 HydrophobicContact CG-CD2 4.05Å; V389-L407 HydrophobicContact CB-CB 4.18Å; V389-L407 HydrophobicContact CG1-CB 4.34Å; S405-L407 PolarHBondContact O-N 3.36Å; S405-L407 WeakPolarHBondContact OG-CB 3.35Å; S405-L407 WeakPolarHBondContact OG-CG 3.18Å; S405-L407 PolarHBondContact OG-N 3.04Å; S405-L407 VanDerWaalsContact OG-N 3.07Å; L407-Y420 HydrophobicContact CD1-CD2 4.4Å; L407-Y420 HydrophobicContact CD1-CE2 4.23Å; L407-L438 HydrophobicContact CD1-CB 3.87Å; L407-H461 HydrophobicContact CD2-CB 4.2Å
408L98.5Very high87.7Confident1 Ų122.1 Ų22.11%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-136.9137.7169.5-178.7158.5000108.8L362 V365 L374 L378 I385 L386 A410L362-L408 HydrophobicContact CB-CB 4.28Å; L362-L408 HydrophobicContact CD1-CD2 4.07Å; L362-L408 HydrophobicContact CG-CD2 4.42Å; L362-L408 PolarHBondContact N-O 3.25Å; L362-L408 PolarHBondContact O-N 2.62Å; V365-L408 HydrophobicContact CB-CB 4.36Å; V365-L408 HydrophobicContact CG1-CD1 4.18Å; V365-L408 HydrophobicContact CG2-CB 3.99Å; L374-L408 HydrophobicContact CD2-CD1 4.28Å; L378-L408 HydrophobicContact CD1-CD2 4.11Å; I385-L408 HydrophobicContact CG2-CD2 4.07Å; I385-L408 HydrophobicContact CG2-CG 4.26Å; L386-L408 WeakPolarHBondContact O-CA 3.46Å; L386-L408 WeakPolarHBondContact O-CG 3.49Å; L408-A410 HydrophobicContact CD2-CB 4.39Å
409F98.8Very high89.7Confident0 Ų020.1 Ų20.10%011%0.113CC..EExtended strand (participates in β ladder)trans-122.4136.2174.2175.2-94.8000110.5F359 L360 I385 L386 S411 I415 L438 L440 V442 I457F359-F409 HydrophobicContact CB-CE2 4.25Å; F359-F409 HydrophobicContact CB-CZ 4.47Å; F359-F409 HydrophobicContact CD1-CE2 4.4Å; F359-F409 AromaticContact CD1-CZ 3.82Å; F359-F409 HydrophobicContact CD1-CZ 3.82Å; L360-F409 CarbonylContact O-C 3.58Å; L360-F409 WeakPolarHBondContact O-CA 3.19Å; I385-F409 CarbonylContact C-O 3.5Å; I385-F409 WeakPolarHBondContact CA-O 3.38Å; L386-F409 HydrophobicContact CB-CB 4.34Å; L386-F409 HydrophobicContact CD1-CD1 4.46Å; L386-F409 PolarHBondContact N-O 2.76Å; L386-F409 PolarHBondContact O-N 3.11Å; F409-S411 VanDerWaalsContact CE1-CB 3.47Å; F409-I415 HydrophobicContact CD1-CD1 3.82Å; F409-I415 HydrophobicContact CE1-CD1 3.77Å; F409-I415 HydrophobicContact CE1-CG1 4.09Å; F409-L438 HydrophobicContact CB-CD2 3.91Å; F409-L440 HydrophobicContact CB-CD1 4.39Å; F409-L440 HydrophobicContact CB-CD2 4.12Å; F409-L440 HydrophobicContact CD1-CD1 4.44Å; F409-L440 HydrophobicContact CD1-CD2 3.29Å; F409-L440 HydrophobicContact CD1-CG 4.46Å; F409-L440 HydrophobicContact CD2-CD1 3.7Å; F409-L440 HydrophobicContact CD2-CD2 4.09Å; F409-L440 HydrophobicContact CE1-CD2 3.53Å; F409-L440 HydrophobicContact CE2-CD1 3.97Å; F409-L440 HydrophobicContact CE2-CD2 4.3Å; F409-L440 HydrophobicContact CG-CD1 3.93Å; F409-L440 HydrophobicContact CG-CD2 3.57Å; F409-L440 HydrophobicContact CG-CG 4.41Å; F409-L440 HydrophobicContact CZ-CD1 4.41Å; F409-L440 HydrophobicContact CZ-CD2 4.02Å; F409-V442 HydrophobicContact CZ-CG1 4.33Å; F409-I457 HydrophobicContact CE2-CD1 3.86Å; F409-I457 HydrophobicContact CE2-CG2 4.16Å; F409-I457 HydrophobicContact CZ-CD1 3.88Å
410A98.6Very high91.3Very high0 Ų019.1 Ų19.10%010%0.102CC..EExtended strand (participates in β ladder)trans-128.8138.217400000110.7F359 L360 F382 Y384 I385 L408F359-A410 WeakPolarHBondContact CA-O 3.36Å; L360-A410 HydrophobicContact CB-CB 4.3Å; L360-A410 PolarHBondContact N-O 3.33Å; L360-A410 PolarHBondContact O-N 3.27Å; F382-A410 HydrophobicContact CB-CB 3.91Å; F382-A410 HydrophobicContact CD1-CB 4.15Å; F382-A410 HydrophobicContact CD2-CB 3.79Å; F382-A410 HydrophobicContact CE2-CB 4.32Å; F382-A410 HydrophobicContact CG-CB 3.69Å; Y384-A410 CarbonylContact O-C 3.58Å; Y384-A410 WeakPolarHBondContact O-CA 3.49Å; I385-A410 HydrophobicContact CG1-CB 4.02Å; L408-A410 HydrophobicContact CD2-CB 4.39Å
411S98.1Very high92.5Very high0 Ų019.3 Ų19.30%010%0.104CC..EExtended strand (participates in β ladder)trans-141.6148.4-177.5-173.70000112.9D358 F359 E383 Y384 F409 Y413D358-S411 WeakPolarHBondContact O-CA 3.28Å; F359-S411 WeakPolarHBondContact CD1-OG 3.45Å; F359-S411 WeakPolarHBondContact CE1-OG 3.13Å; E383-S411 PolarHBondContact N-O 3.07Å; Y384-S411 PolarHBondContact N-O 3.32Å; Y384-S411 PolarHBondContact O-N 2.95Å; F409-S411 VanDerWaalsContact CE1-CB 3.47Å; S411-Y413 PolarHBondContact OG-N 2.79Å; S411-Y413 PolarHBondContact OG-O 2.86Å; S411-Y413 VanDerWaalsContact OG-O 3.07Å
412R95.8Very high93.2Very high45 Ų4520.4 Ų20.417%0.1711%0.112CC..SBendtrans-85.1-12.6166.2-51.9-161.7-50.4172.1-1.3113.3L112 L357 D358 Y381 F382L112-R412 HydrophobicContact CD1-CB 3.92Å; L112-R412 WeakPolarHBondContact CD1-O 3.42Å; L112-R412 VanDerWaalsContact CD2-CZ 3.42Å; L357-R412 WeakPolarHBondContact O-CD 3.4Å; D358-R412 PolarHBondContact O-N 3.31Å; D358-R412 IonicContact OD1-CZ 2.83Å; D358-R412 IonicContact OD1-NE 2.82Å; D358-R412 PolarHBondContact OD1-NE 3.03Å; D358-R412 IonicContact OD1-NH2 3.59Å; D358-R412 PolarHBondContact OD1-NH2 3.03Å; Y381-R412 HydrophobicContact CE1-CG 4.05Å; Y381-R412 PolarHBondContact OH-NH1 3.03Å; F382-R412 HydrophobicContact CD1-CG 3.83Å; F382-R412 HydrophobicContact CE1-CG 4.08Å
413Y95.8Very high94Very high11 Ų1117.7 Ų17.74%0.0439%0.093CC..SBendtrans-108.3147.1-178.1-68.2-83.2000111.2L112 K122 F124 D358 F359 Y384 S411 I415 Q443 V444L112-Y413 HydrophobicContact CD1-CD1 4.18Å; L112-Y413 HydrophobicContact CD1-CE1 3.89Å; L112-Y413 HydrophobicContact CD1-CE2 4.41Å; K122-Y413 WeakPolarHBondContact CE-OH 3.44Å; F124-Y413 HydrophobicContact CD1-CE2 4.15Å; F124-Y413 HydrophobicContact CE1-CE2 4.12Å; F124-Y413 AromaticContact CE1-CZ 3.95Å; D358-Y413 HydrophobicContact CB-CD2 4.24Å; D358-Y413 HydrophobicContact CB-CE2 3.91Å; D358-Y413 WeakPolarHBondContact OD1-CE2 3.44Å; F359-Y413 AromaticContact CE1-CD2 3.89Å; F359-Y413 HydrophobicContact CE1-CD2 3.89Å; F359-Y413 HydrophobicContact CE1-CG 4.45Å; F359-Y413 HydrophobicContact CE2-CD2 4.29Å; F359-Y413 AromaticContact CZ-CD2 3.51Å; F359-Y413 HydrophobicContact CZ-CD2 3.51Å; F359-Y413 HydrophobicContact CZ-CE2 4.19Å; F359-Y413 HydrophobicContact CZ-CG 4.23Å; Y384-Y413 WeakPolarHBondContact CD2-O 3.39Å; Y384-Y413 VanDerWaalsContact CE2-C 3.47Å; S411-Y413 PolarHBondContact OG-N 2.79Å; S411-Y413 PolarHBondContact OG-O 2.86Å; S411-Y413 VanDerWaalsContact OG-O 3.07Å; Y413-I415 PolarHBondContact O-N 2.78Å; Y413-Q443 WeakPolarHBondContact CB-O 3.33Å; Y413-V444 HydrophobicContact CD1-CB 4.17Å; Y413-V444 HydrophobicContact CD1-CG1 4.15Å; Y413-V444 HydrophobicContact CD2-CG1 4.28Å; Y413-V444 HydrophobicContact CE1-CB 4.28Å; Y413-V444 HydrophobicContact CG-CG1 4Å
414P94.6Very high94.4Very high49 Ų4920.2 Ų20.232%0.31811%0.112SC..  trans-57.3133.9178.9-2330.5000112.8Y384 V442 Q443Y384-P414 HydrophobicContact CE1-CB 4.34Å; Y384-P414 HydrophobicContact CE2-CB 4.43Å; Y384-P414 HydrophobicContact CE2-CG 4.07Å; P414-V442 WeakPolarHBondContact O-CA 3.09Å; P414-Q443 PolarHBondContact O-N 3.43Å
415I95.6Very high93.5Very high10 Ų1021.2 Ų21.25%0.05112%0.117CC..EExtended strand (participates in β ladder)trans-85.8127.6173.1-51.8174.2000107.9L3 Y97 L386 F409 Y413 L440 V442L3-I415 HydrophobicContact CD1-CB 4.44Å; L3-I415 WeakPolarHBondContact CD1-O 3.27Å; Y97-I415 HydrophobicContact CD2-CD1 4.44Å; Y97-I415 HydrophobicContact CE2-CD1 4.28Å; L386-I415 HydrophobicContact CD1-CD1 3.61Å; L386-I415 HydrophobicContact CD1-CG2 4.27Å; L386-I415 HydrophobicContact CG-CD1 3.75Å; F409-I415 HydrophobicContact CD1-CD1 3.82Å; F409-I415 HydrophobicContact CE1-CD1 3.77Å; F409-I415 HydrophobicContact CE1-CG1 4.09Å; Y413-I415 PolarHBondContact O-N 2.78Å; I415-L440 HydrophobicContact CD1-CD2 4.4Å; I415-L440 HydrophobicContact CG2-CD2 4.31Å; I415-V442 HydrophobicContact CG1-CG1 4.39Å
416M93.6Very high91.8Very high35 Ų3531.6 Ų31.617%0.17216%0.162CC..EExtended strand (participates in β ladder)trans-95.4-51.8-178.7-62178.865.100111.5K441 Q443 R452 V454M416-K441 HydrophobicContact CB-CB 4.5Å; M416-K441 HydrophobicContact CB-CG 4.45Å; M416-K441 PolarHBondContact N-O 3.4Å; M416-K441 HydrophobicContact SD-CD 4.44Å; M416-K441 HydrophobicContact SD-CG 4.33Å; M416-Q443 HydrophobicContact CG-CB 3.98Å; M416-Q443 HydrophobicContact SD-CB 3.77Å; M416-R452 VanDerWaalsContact CE-NH1 3.26Å; M416-V454 HydrophobicContact CE-CG1 4.44Å; M416-V454 HydrophobicContact SD-CG1 3.71Å
417D95.6Very high89.8Confident26 Ų2633 Ų3314%0.13917%0.171CC..EExtended strand (participates in β ladder)trans-138.7149.2-175.1-59.7-77.9000109.2M1 L440 K441 F486 T490M1-D417 WeakPolarHBondContact CB-OD1 3.44Å; M1-D417 HydrophobicContact SD-CB 4.19Å; D417-L440 WeakPolarHBondContact O-CA 3.32Å; D417-K441 HydrophobicContact CB-CB 4.1Å; D417-K441 PolarHBondContact N-O 2.94Å; D417-K441 PolarHBondContact O-N 3.36Å; D417-F486 HydrophobicContact CB-CE2 4.42Å; D417-F486 HydrophobicContact CB-CZ 4.13Å; D417-T490 HydrophobicContact CB-CG2 3.68Å
418V96.6Very high87.8Confident2 Ų239.7 Ų39.71%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-148.3135.3-178.153.10000109.8M1 L3 Y95 L386 L438 F439M1-V418 HydrophobicContact CE-CG1 4.21Å; M1-V418 WeakPolarHBondContact CE-O 3.31Å; M1-V418 HydrophobicContact SD-CG1 4.5Å; L3-V418 HydrophobicContact CD2-CG1 3.5Å; Y95-V418 HydrophobicContact CD1-CG1 4.37Å; Y95-V418 HydrophobicContact CD1-CG2 4.26Å; Y95-V418 HydrophobicContact CE1-CB 4.48Å; Y95-V418 HydrophobicContact CE1-CG1 3.55Å; Y95-V418 HydrophobicContact CE1-CG2 4.13Å; Y95-V418 HydrophobicContact CE2-CG1 3.75Å; Y95-V418 WeakPolarHBondContact OH-CG1 3.39Å; L386-V418 HydrophobicContact CD1-CB 4.17Å; L386-V418 HydrophobicContact CD1-CG2 3.8Å; V418-L438 HydrophobicContact CG2-CD1 3.53Å; V418-F439 CarbonylContact C-O 3.48Å; V418-F439 VanDerWaalsContact CA-O 3.22Å; V418-F439 WeakPolarHBondContact CA-O 3.33Å
419A95.8Very high85.5Confident22 Ų2246.5 Ų46.518%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-133.4145.7171.300000109.4L438 F439 F486A419-L438 CarbonylContact O-C 3.48Å; A419-L438 WeakPolarHBondContact O-CA 3.42Å; A419-F439 HydrophobicContact CB-CB 4.39Å; A419-F439 HydrophobicContact CB-CD2 4.44Å; A419-F439 PolarHBondContact N-O 2.73Å; A419-F439 PolarHBondContact O-N 3.48Å; A419-F486 HydrophobicContact CB-CD2 3.59Å; A419-F486 HydrophobicContact CB-CE2 3.74Å
420Y94.9Very high83.6Confident27 Ų2747.4 Ų47.411%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-127.5134.3171.7165.6-91.5000109V389 G390 L407 C422 S434 A437V389-Y420 HydrophobicContact CG1-CD2 3.32Å; V389-Y420 HydrophobicContact CG1-CE2 3.98Å; V389-Y420 HydrophobicContact CG1-CG 3.61Å; G390-Y420 VanDerWaalsContact CA-CE1 3.43Å; L407-Y420 HydrophobicContact CD1-CD2 4.4Å; L407-Y420 HydrophobicContact CD1-CE2 4.23Å; Y420-C422 HydrophobicContact CE1-CB 3.95Å; Y420-S434 WeakPolarHBondContact OH-CB 3.41Å; Y420-S434 PolarHBondContact OH-O 3.22Å; Y420-A437 WeakPolarHBondContact CA-O 3.34Å; Y420-A437 WeakPolarHBondContact CD2-O 3.32Å
421H93.1Very high81.8Confident70 Ų7048.3 Ų48.332%0.32426%0.256SS..EExtended strand (participates in β ladder)trans-125.1125.9176.9-66-98.5000109.4G436 A437 F439 W482H421-G436 CarbonylContact O-C 3.57Å; H421-G436 WeakPolarHBondContact O-CA 3.44Å; H421-A437 PolarHBondContact N-O 2.96Å; H421-A437 PolarHBondContact O-N 3.41Å; H421-F439 HydrophobicContact CB-CE2 4.35Å; H421-F439 AromaticContact CD2-CD2 3.8Å; H421-F439 AromaticContact CD2-CE2 3.62Å; H421-W482 HydrophobicContact CB-CD2 3.72Å; H421-W482 HydrophobicContact CB-CE3 3.42Å; H421-W482 VanDerWaalsContact CB-CE3 3.42Å; H421-W482 HydrophobicContact CB-CH2 3.73Å; H421-W482 HydrophobicContact CB-CZ2 4.03Å; H421-W482 HydrophobicContact CB-CZ3 3.42Å; H421-W482 VanDerWaalsContact CB-CZ3 3.42Å; H421-W482 AromaticContact CG-CD2 3.89Å
422C91.6Very high80.3Confident28 Ų2852.8 Ų52.819%0.18928%0.279CS..EExtended strand (participates in β ladder)trans-83.2133.4172.1-1750000108.7V391 Y420 K435V391-C422 HydrophobicContact CG2-CB 4.44Å; Y420-C422 HydrophobicContact CE1-CB 3.95Å; C422-K435 PolarHBondContact SG-O 3.07Å
423Y90.4Very high79.5Confident3 Ų351 Ų511%0.01227%0.274CS..PPolyproline II helixtrans-65.6141.9171.8-65.3-61.2000110.1N425 K435 G436 T460 L462 Q475 L478 W482Y423-N425 PolarHBondContact O-N 3.15Å; Y423-K435 PolarHBondContact N-O 2.79Å; Y423-G436 VanDerWaalsContact CD2-CA 3.46Å; Y423-T460 WeakPolarHBondContact CE2-OG1 3.24Å; Y423-T460 PolarHBondContact OH-OG1 2.91Å; Y423-L462 HydrophobicContact CE2-CD2 3.57Å; Y423-L462 WeakPolarHBondContact OH-CD2 3.36Å; Y423-Q475 HydrophobicContact CD1-CB 3.86Å; Y423-Q475 HydrophobicContact CD1-CG 3.74Å; Y423-Q475 HydrophobicContact CD2-CB 4.33Å; Y423-Q475 HydrophobicContact CD2-CG 3.97Å; Y423-Q475 HydrophobicContact CE1-CB 3.81Å; Y423-Q475 HydrophobicContact CE1-CG 4.21Å; Y423-Q475 VanDerWaalsContact CE1-O 3.27Å; Y423-Q475 WeakPolarHBondContact CE1-O 3.47Å; Y423-Q475 HydrophobicContact CE2-CB 4.31Å; Y423-Q475 HydrophobicContact CE2-CG 4.44Å; Y423-Q475 HydrophobicContact CG-CB 4.14Å; Y423-Q475 HydrophobicContact CG-CG 3.62Å; Y423-L478 HydrophobicContact CD1-CB 4.28Å; Y423-L478 HydrophobicContact CD1-CD1 4.1Å; Y423-L478 HydrophobicContact CE1-CB 4.17Å; Y423-W482 AromaticContact CD1-CH2 3.71Å; Y423-W482 HydrophobicContact CD1-CH2 3.71Å; Y423-W482 AromaticContact CD1-CZ3 3.48Å; Y423-W482 HydrophobicContact CD1-CZ3 3.48Å; Y423-W482 VanDerWaalsContact CD1-CZ3 3.48Å; Y423-W482 HydrophobicContact CE1-CE3 4.14Å; Y423-W482 HydrophobicContact CE1-CH2 4.08Å; Y423-W482 AromaticContact CE1-CZ3 3.38Å; Y423-W482 HydrophobicContact CE1-CZ3 3.38Å; Y423-W482 HydrophobicContact CG-CZ3 4.42Å
424P86Confident78.9Confident93 Ų9350.5 Ų50.560%0.60427%0.272SS*.PPolyproline II helixtrans-59.1121.8167.2-1931.6000108.8L478P424-L478 VanDerWaalsContact CD-CD1 3.46Å; P424-L478 HydrophobicContact CG-CD1 4.02Å
425N67.4Low78.6Confident22 Ų2248.7 Ų48.712%0.11826%0.259CS..  trans-125.1123179.1-169.4-3.1000110.2Y423 C427 D430 A431Y423-N425 PolarHBondContact O-N 3.15Å; N425-C427 PolarHBondContact OD1-N 2.81Å; N425-C427 PolarHBondContact OD1-O 2.88Å; N425-C427 PolarHBondContact OD1-SG 2.97Å; N425-D430 PolarHBondContact ND2-O 3.32Å; N425-A431 PolarHBondContact ND2-N 3.12Å
426K55Low78.5Confident217 Ų21748.2 Ų48.294%0.94326%0.257SS*.  trans-1141.9178.5-71.8-173.1178.8179.50113.8
427C52.2Low78.7Confident29 Ų2946.6 Ų46.620%0.19625%0.249CC..SBendtrans-123.2151.6-171.759.50000114.3N425 D429 A431 H463N425-C427 PolarHBondContact OD1-N 2.81Å; N425-C427 PolarHBondContact OD1-O 2.88Å; N425-C427 PolarHBondContact OD1-SG 2.97Å; C427-D429 PolarHBondContact O-N 2.86Å; C427-A431 WeakPolarHBondContact O-CB 3.25Å; C427-A431 PolarHBondContact O-N 2.94Å; C427-H463 PolarHBondContact SG-CE1 3.31Å
428N55.5Low78.8Confident144 Ų14445.3 Ų45.377%0.7724%0.243SC*.THydrogen-bonded Turntrans-73-30.6-142.3-60.8-44000117.3
429D50Low78.9Confident143 Ų14345.3 Ų45.377%0.76524%0.242SC*.THydrogen-bonded Turntrans-91.5-41.4-171.2-71.3-26.8000113.5C427 A431C427-D429 PolarHBondContact O-N 2.86Å; D429-A431 PolarHBondContact O-N 2.96Å
430D59Low79Confident20 Ų2044.2 Ų44.211%0.10723%0.234CC..G310 helixtrans-83.2-0.8172.4-101.5-12.3000112.8N425 L432 A433 K435 H463 A464N425-D430 PolarHBondContact ND2-O 3.32Å; D430-L432 PolarHBondContact O-N 3.19Å; D430-A433 PolarHBondContact O-N 3.02Å; D430-K435 VanDerWaalsContact CG-NZ 3.33Å; D430-K435 IonicContact OD1-NZ 3.72Å; D430-K435 PolarHBondContact OD1-NZ 3.43Å; D430-K435 WeakPolarHBondContact OD2-CE 3.28Å; D430-K435 IonicContact OD2-NZ 3.55Å; D430-K435 PolarHBondContact OD2-NZ 3.15Å; D430-H463 IonicContact OD2-ND1 2.8Å; D430-A464 PolarHBondContact OD2-N 3.49Å
431A60.7Low79.2Confident19 Ų1943 Ų4316%0.15723%0.229CC..G310 helixtrans-60.2-28.3-179.400000113K401 N425 C427 D429K401-A431 WeakPolarHBondContact CD-O 3.48Å; K401-A431 WeakPolarHBondContact CE-O 3.5Å; K401-A431 PolarHBondContact NZ-O 3.24Å; N425-A431 PolarHBondContact ND2-N 3.12Å; C427-A431 WeakPolarHBondContact O-CB 3.25Å; C427-A431 PolarHBondContact O-N 2.94Å; D429-A431 PolarHBondContact O-N 2.96Å
432L66.6Low79.3Confident93 Ų9339.7 Ų39.749%0.48721%0.214SC..G310 helixtrans-79.8-21-174.3-62.3-179.8000113.6C402 L403 D430C402-L432 HydrophobicContact CB-CB 4.43Å; C402-L432 PolarHBondContact N-O 3.45Å; L403-L432 PolarHBondContact N-O 2.82Å; D430-L432 PolarHBondContact O-N 3.19Å
433A79.7Confident79.5Confident8 Ų841.3 Ų41.37%0.06622%0.218CC..BIsolated β-bridgetrans-101.5150.8174.200000111.4F366 K401 L403 D430 K435F366-A433 HydrophobicContact CE1-CB 4.09Å; F366-A433 HydrophobicContact CZ-CB 4.3Å; K401-A433 PolarHBondContact NZ-O 3.17Å; K401-A433 VanDerWaalsContact NZ-O 3.16Å; L403-A433 HydrophobicContact CB-CB 4.21Å; L403-A433 WeakPolarHBondContact O-CA 3.49Å; D430-A433 PolarHBondContact O-N 3.02Å; A433-K435 VanDerWaalsContact C-N 3.33Å; A433-K435 PolarHBondContact O-N 3.44Å
434S82.8Confident79.7Confident0 Ų041.4 Ų41.40%022%0.219CC..  trans-89.467.5170.9480000111.2V391 L403 N404 S405 Y420 G436V391-S434 PolarHBondContact N-OG 2.89Å; V391-S434 PolarHBondContact O-OG 3.25Å; V391-S434 VanDerWaalsContact O-OG 3.04Å; L403-S434 PolarHBondContact O-N 3.4Å; N404-S434 WeakPolarHBondContact CA-OG 3.24Å; N404-S434 PolarHBondContact O-N 3.29Å; S405-S434 WeakPolarHBondContact CA-O 3.28Å; S405-S434 WeakPolarHBondContact CB-O 3.33Å; S405-S434 PolarHBondContact N-OG 3.08Å; Y420-S434 WeakPolarHBondContact OH-CB 3.41Å; Y420-S434 PolarHBondContact OH-O 3.22Å; S434-G436 PolarHBondContact O-N 3.43Å
435K88.7Confident80Confident11 Ų1137.1 Ų37.15%0.04819%0.192CC..  trans-51.7136.4169-66.2-74.8-149.1-80.80109.5C422 Y423 D430 A433 H461 L462C422-K435 PolarHBondContact SG-O 3.07Å; Y423-K435 PolarHBondContact N-O 2.79Å; D430-K435 VanDerWaalsContact CG-NZ 3.33Å; D430-K435 IonicContact OD1-NZ 3.72Å; D430-K435 PolarHBondContact OD1-NZ 3.43Å; D430-K435 WeakPolarHBondContact OD2-CE 3.28Å; D430-K435 IonicContact OD2-NZ 3.55Å; D430-K435 PolarHBondContact OD2-NZ 3.15Å; A433-K435 VanDerWaalsContact C-N 3.33Å; A433-K435 PolarHBondContact O-N 3.44Å; K435-H461 HydrophobicContact CD-CB 4.13Å; K435-H461 VanDerWaalsContact CE-NE2 3.31Å; K435-H461 WeakPolarHBondContact CE-NE2 3.26Å; K435-L462 WeakPolarHBondContact CE-O 3.3Å
436G93.1Very high81.1Confident1 Ų136.6 Ų36.61%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-179.1-175.5-169.400000113.2H421 Y423 S434 T460 H461H421-G436 CarbonylContact O-C 3.57Å; H421-G436 WeakPolarHBondContact O-CA 3.44Å; Y423-G436 VanDerWaalsContact CD2-CA 3.46Å; S434-G436 PolarHBondContact O-N 3.43Å; G436-T460 WeakPolarHBondContact O-CA 3.45Å; G436-T460 PolarHBondContact O-OG1 3.29Å; G436-H461 PolarHBondContact O-N 3.17Å
437A97.3Very high82.7Confident0 Ų026.5 Ų26.50%015%0.147CC..EExtended strand (participates in β ladder)trans-121.4135.117900000111.2Y420 H421 F439 C459 L479 W482Y420-A437 WeakPolarHBondContact CA-O 3.34Å; Y420-A437 WeakPolarHBondContact CD2-O 3.32Å; H421-A437 PolarHBondContact N-O 2.96Å; H421-A437 PolarHBondContact O-N 3.41Å; A437-F439 HydrophobicContact CB-CE1 4.41Å; A437-F439 HydrophobicContact CB-CE2 3.61Å; A437-F439 HydrophobicContact CB-CZ 3.52Å; A437-C459 WeakPolarHBondContact CA-O 3.49Å; A437-L479 HydrophobicContact CB-CD1 3.84Å; A437-W482 HydrophobicContact CB-CE3 4.48Å
438L98.3Very high84.3Confident0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-107124.6173.4176.170.1000108.7V389 L407 F409 V418 A419 L440 A458 C459V389-L438 HydrophobicContact CG1-CB 4.5Å; V389-L438 HydrophobicContact CG1-CD1 3.94Å; V389-L438 HydrophobicContact CG2-CD1 4.29Å; V389-L438 HydrophobicContact CG2-CD2 4.13Å; L407-L438 HydrophobicContact CD1-CB 3.87Å; F409-L438 HydrophobicContact CB-CD2 3.91Å; V418-L438 HydrophobicContact CG2-CD1 3.53Å; A419-L438 CarbonylContact O-C 3.48Å; A419-L438 WeakPolarHBondContact O-CA 3.42Å; L438-L440 HydrophobicContact CD2-CD1 4.02Å; L438-L440 HydrophobicContact CD2-CG 4.49Å; L438-L440 HydrophobicContact CG-CD1 3.92Å; L438-L440 HydrophobicContact CG-CG 4.23Å; L438-A458 CarbonylContact O-C 3.58Å; L438-A458 VanDerWaalsContact O-CA 3.23Å; L438-A458 WeakPolarHBondContact O-CA 3.1Å; L438-C459 PolarHBondContact N-O 3.27Å; L438-C459 PolarHBondContact O-N 3.39Å
439F98.5Very high85.7Confident1 Ų128 Ų280%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-111.3136.2-179.6-55.2-87.8000109.6V418 A419 H421 A437 A458 L479 W482 L483 F486V418-F439 CarbonylContact C-O 3.48Å; V418-F439 VanDerWaalsContact CA-O 3.22Å; V418-F439 WeakPolarHBondContact CA-O 3.33Å; A419-F439 HydrophobicContact CB-CB 4.39Å; A419-F439 HydrophobicContact CB-CD2 4.44Å; A419-F439 PolarHBondContact N-O 2.73Å; A419-F439 PolarHBondContact O-N 3.48Å; H421-F439 HydrophobicContact CB-CE2 4.35Å; H421-F439 AromaticContact CD2-CD2 3.8Å; H421-F439 AromaticContact CD2-CE2 3.62Å; A437-F439 HydrophobicContact CB-CE1 4.41Å; A437-F439 HydrophobicContact CB-CE2 3.61Å; A437-F439 HydrophobicContact CB-CZ 3.52Å; F439-A458 HydrophobicContact CD1-CB 3.77Å; F439-A458 HydrophobicContact CE1-CB 3.99Å; F439-L479 HydrophobicContact CE1-CD1 3.97Å; F439-L479 HydrophobicContact CZ-CD1 3.96Å; F439-W482 HydrophobicContact CE1-CB 4.09Å; F439-W482 HydrophobicContact CE2-CB 3.82Å; F439-W482 HydrophobicContact CE2-CE3 4.29Å; F439-W482 HydrophobicContact CZ-CB 3.39Å; F439-W482 HydrophobicContact CZ-CE3 4.22Å; F439-W482 HydrophobicContact CZ-CG 4.4Å; F439-L483 HydrophobicContact CD1-CD2 3.93Å; F439-L483 HydrophobicContact CD1-CG 4.46Å; F439-L483 HydrophobicContact CE1-CD2 3.75Å; F439-L483 HydrophobicContact CE1-CG 3.84Å; F439-F486 HydrophobicContact CB-CB 4.15Å; F439-F486 HydrophobicContact CB-CD1 3.68Å; F439-F486 HydrophobicContact CB-CD2 3.75Å; F439-F486 HydrophobicContact CB-CE1 3.93Å; F439-F486 HydrophobicContact CB-CE2 4Å; F439-F486 HydrophobicContact CB-CG 3.57Å; F439-F486 HydrophobicContact CB-CZ 4.08Å; F439-F486 HydrophobicContact CD1-CB 4.36Å; F439-F486 HydrophobicContact CG-CB 4.24Å; F439-F486 HydrophobicContact CG-CG 4.2Å
440L98.5Very high87.4Confident0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-136.7141.2-174.6-56.1114.2000110.6L386 F409 I415 D417 L438 Y456 I457L386-L440 HydrophobicContact CD1-CD2 3.43Å; L386-L440 VanDerWaalsContact CD1-CD2 3.43Å; F409-L440 HydrophobicContact CB-CD1 4.39Å; F409-L440 HydrophobicContact CB-CD2 4.12Å; F409-L440 HydrophobicContact CD1-CD1 4.44Å; F409-L440 HydrophobicContact CD1-CD2 3.29Å; F409-L440 HydrophobicContact CD1-CG 4.46Å; F409-L440 HydrophobicContact CD2-CD1 3.7Å; F409-L440 HydrophobicContact CD2-CD2 4.09Å; F409-L440 HydrophobicContact CE1-CD2 3.53Å; F409-L440 HydrophobicContact CE2-CD1 3.97Å; F409-L440 HydrophobicContact CE2-CD2 4.3Å; F409-L440 HydrophobicContact CG-CD1 3.93Å; F409-L440 HydrophobicContact CG-CD2 3.57Å; F409-L440 HydrophobicContact CG-CG 4.41Å; F409-L440 HydrophobicContact CZ-CD1 4.41Å; F409-L440 HydrophobicContact CZ-CD2 4.02Å; I415-L440 HydrophobicContact CD1-CD2 4.4Å; I415-L440 HydrophobicContact CG2-CD2 4.31Å; D417-L440 WeakPolarHBondContact O-CA 3.32Å; L438-L440 HydrophobicContact CD2-CD1 4.02Å; L438-L440 HydrophobicContact CD2-CG 4.49Å; L438-L440 HydrophobicContact CG-CD1 3.92Å; L438-L440 HydrophobicContact CG-CG 4.23Å; L440-Y456 WeakPolarHBondContact O-CA 3.39Å; L440-I457 HydrophobicContact CB-CB 4.42Å; L440-I457 HydrophobicContact CD1-CB 4.36Å; L440-I457 HydrophobicContact CD1-CG2 4.39Å; L440-I457 PolarHBondContact N-O 2.97Å; L440-I457 PolarHBondContact O-N 3.25Å
441K98Very high88.8Confident2 Ų228.1 Ų28.11%0.00915%0.152CC..EExtended strand (participates in β ladder)trans-116.9127.7166.1-173.1-177.9178.3-170.30108.7M416 D417 V454 G455 Y456 F486 T490 E500M416-K441 HydrophobicContact CB-CB 4.5Å; M416-K441 HydrophobicContact CB-CG 4.45Å; M416-K441 PolarHBondContact N-O 3.4Å; M416-K441 HydrophobicContact SD-CD 4.44Å; M416-K441 HydrophobicContact SD-CG 4.33Å; D417-K441 HydrophobicContact CB-CB 4.1Å; D417-K441 PolarHBondContact N-O 2.94Å; D417-K441 PolarHBondContact O-N 3.36Å; K441-V454 HydrophobicContact CG-CB 4.49Å; K441-G455 WeakPolarHBondContact CA-O 3.49Å; K441-Y456 HydrophobicContact CB-CD1 4.41Å; K441-Y456 HydrophobicContact CB-CE1 4.12Å; K441-Y456 HydrophobicContact CD-CE1 4.04Å; K441-Y456 HydrophobicContact CG-CD1 4.48Å; K441-Y456 HydrophobicContact CG-CE1 3.97Å; K441-F486 HydrophobicContact CB-CE1 4.14Å; K441-F486 HydrophobicContact CB-CZ 4.2Å; K441-T490 PolarHBondContact NZ-O 3.32Å; K441-E500 IonicContact NZ-OE1 3.23Å; K441-E500 PolarHBondContact NZ-OE1 3.05Å; K441-E500 IonicContact NZ-OE2 3.8Å; K441-E500 PolarHBondContact NZ-OE2 3.23Å
442V96.6Very high90.3Very high0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-120.7145.6-177.1-67.70000111.1F359 F409 P414 I415 V444 V454 G455 I457 F504F359-V442 HydrophobicContact CE1-CB 4.16Å; F359-V442 HydrophobicContact CE1-CG1 4.07Å; F359-V442 HydrophobicContact CE1-CG2 3.75Å; F359-V442 HydrophobicContact CZ-CG2 3.9Å; F409-V442 HydrophobicContact CZ-CG1 4.33Å; P414-V442 WeakPolarHBondContact O-CA 3.09Å; I415-V442 HydrophobicContact CG1-CG1 4.39Å; V442-V444 HydrophobicContact CG2-CG1 4.03Å; V442-V454 CarbonylContact O-C 3.56Å; V442-V454 WeakPolarHBondContact O-CA 3.44Å; V442-V454 WeakPolarHBondContact O-CB 3.21Å; V442-G455 WeakPolarHBondContact CG2-O 3.47Å; V442-G455 PolarHBondContact N-O 3.07Å; V442-G455 PolarHBondContact O-N 3.34Å; V442-I457 HydrophobicContact CG2-CD1 4.3Å; V442-F504 HydrophobicContact CG2-CE2 4.22Å; V442-F504 HydrophobicContact CG2-CZ 3.98Å
443Q95.1Very high91.6Very high61 Ų6125.1 Ų25.129%0.28513%0.13SC..EExtended strand (participates in β ladder)trans-94.7118.9172.7-178.9175.1-9.300109.9Y413 P414 M416 R452Y413-Q443 WeakPolarHBondContact CB-O 3.33Å; P414-Q443 PolarHBondContact O-N 3.43Å; M416-Q443 HydrophobicContact CG-CB 3.98Å; M416-Q443 HydrophobicContact SD-CB 3.77Å; Q443-R452 HydrophobicContact CG-CG 3.75Å
444V94.5Very high92.4Very high5 Ų524.8 Ų24.83%0.0313%0.127CC..EExtended strand (participates in β ladder)trans-111.6-8.3-174.4-62.40000114.4W115 F124 F359 Y413 V442 I453 A503 F504W115-V444 HydrophobicContact CE3-CG2 4.22Å; W115-V444 HydrophobicContact CZ3-CG2 4.25Å; F124-V444 HydrophobicContact CD1-CG1 4.47Å; F124-V444 HydrophobicContact CE1-CB 3.65Å; F124-V444 HydrophobicContact CE1-CG1 3.87Å; F124-V444 HydrophobicContact CE1-CG2 4.16Å; F124-V444 HydrophobicContact CZ-CB 3.81Å; F124-V444 HydrophobicContact CZ-CG1 4.36Å; F124-V444 HydrophobicContact CZ-CG2 3.81Å; F359-V444 HydrophobicContact CZ-CG1 3.98Å; Y413-V444 HydrophobicContact CD1-CB 4.17Å; Y413-V444 HydrophobicContact CD1-CG1 4.15Å; Y413-V444 HydrophobicContact CD2-CG1 4.28Å; Y413-V444 HydrophobicContact CE1-CB 4.28Å; Y413-V444 HydrophobicContact CG-CG1 4Å; V442-V444 HydrophobicContact CG2-CG1 4.03Å; V444-I453 HydrophobicContact CG2-CB 4.13Å; V444-I453 HydrophobicContact CG2-CG2 3.7Å; V444-I453 PolarHBondContact N-O 2.85Å; V444-A503 HydrophobicContact CG2-CB 4.34Å; V444-F504 HydrophobicContact CG1-CE1 3.96Å; V444-F504 HydrophobicContact CG1-CZ 3.9Å; V444-F504 HydrophobicContact CG2-CE1 4.44Å
445G92.2Very high93.1Very high4 Ų424.8 Ų24.84%0.04113%0.127CC..EExtended strand (participates in β ladder)trans177.1-169.3179.100000113.5W115 I453W115-G445 VanDerWaalsContact O-CA 3.25Å; W115-G445 WeakPolarHBondContact O-CA 3.41Å; G445-I453 PolarHBondContact N-O 3.43Å; G445-I453 PolarHBondContact O-N 3.34Å
446S90.6Very high93.6Very high11 Ų1124.5 Ų24.58%0.07713%0.126CC..EExtended strand (participates in β ladder)trans-148.5139.5175.257.20000110E114 W115 K116 Q451E114-S446 WeakPolarHBondContact OE1-CB 3.39Å; E114-S446 PolarHBondContact OE1-OG 2.8Å; W115-S446 PolarHBondContact O-N 3.47Å; K116-S446 CarbonylContact C-O 3.59Å; K116-S446 WeakPolarHBondContact CA-O 3.25Å; K116-S446 WeakPolarHBondContact CD-O 3.47Å; K116-S446 PolarHBondContact NZ-OG 3.32Å; S446-Q451 CarbonylContact C-O 3.48Å; S446-Q451 WeakPolarHBondContact CA-O 3.36Å
447T88.9Confident93.9Very high5 Ų524.7 Ų24.73%0.03113%0.126CC..  trans-76.5166.8175.970.10000111.7K116 Q449 D450 Q451 I453 L501K116-T447 WeakPolarHBondContact O-CA 3.25Å; T447-Q449 PolarHBondContact O-N 3.43Å; T447-Q449 PolarHBondContact OG1-N 3.07Å; T447-Q449 PolarHBondContact OG1-OE1 3Å; T447-D450 PolarHBondContact O-N 2.51Å; T447-Q451 HydrophobicContact CG2-CB 4.07Å; T447-Q451 PolarHBondContact N-O 3.49Å; T447-Q451 VanDerWaalsContact OG1-CB 3.25Å; T447-Q451 WeakPolarHBondContact OG1-CB 3.39Å; T447-Q451 PolarHBondContact OG1-N 2.99Å; T447-Q451 VanDerWaalsContact OG1-N 3.13Å; T447-Q451 PolarHBondContact OG1-OE1 2.97Å; T447-Q451 VanDerWaalsContact OG1-OE1 3.05Å; T447-I453 HydrophobicContact CG2-CD1 4.2Å; T447-I453 HydrophobicContact CG2-CG1 4.11Å; T447-L501 HydrophobicContact CG2-CD1 3.53Å
448P85.8Confident93.9Very high74 Ų7424.7 Ų24.748%0.48113%0.126SC..THydrogen-bonded Turntrans-61.3-17.9170.9-23.235.9000113.5K116 T118 D450K116-P448 VanDerWaalsContact O-CD 3.31Å; K116-P448 WeakPolarHBondContact O-CD 3.41Å; T118-P448 HydrophobicContact CG2-CG 3.76Å; P448-D450 VanDerWaalsContact C-N 3.26Å
449Q85.9Confident93.9Very high131 Ų13124.7 Ų24.761%0.61213%0.126SC*.THydrogen-bonded Turntrans-89.814.4174.3-61.576.91600112.4T447 Q451T447-Q449 PolarHBondContact O-N 3.43Å; T447-Q449 PolarHBondContact OG1-N 3.07Å; T447-Q449 PolarHBondContact OG1-OE1 3Å; Q449-Q451 HydrophobicContact CB-CG 4.23Å; Q449-Q451 PolarHBondContact O-N 2.74Å
450D85.1Confident93.9Very high127 Ų12724.7 Ų24.768%0.67913%0.126SC*.  trans58.821.9-177.6-66.3-35.6000114.5T447 P448 P498T447-D450 PolarHBondContact O-N 2.51Å; P448-D450 VanDerWaalsContact C-N 3.26Å; D450-P498 WeakPolarHBondContact O-CB 3.3Å
451Q88.6Confident93.8Very high37 Ų3724.7 Ų24.717%0.17313%0.126CC..PPolyproline II helixtrans-76.4139.4170.7-53165.9-62.700108.8S446 T447 Q449 E499 L501S446-Q451 CarbonylContact C-O 3.48Å; S446-Q451 WeakPolarHBondContact CA-O 3.36Å; T447-Q451 HydrophobicContact CG2-CB 4.07Å; T447-Q451 PolarHBondContact N-O 3.49Å; T447-Q451 VanDerWaalsContact OG1-CB 3.25Å; T447-Q451 WeakPolarHBondContact OG1-CB 3.39Å; T447-Q451 PolarHBondContact OG1-N 2.99Å; T447-Q451 VanDerWaalsContact OG1-N 3.13Å; T447-Q451 PolarHBondContact OG1-OE1 2.97Å; T447-Q451 VanDerWaalsContact OG1-OE1 3.05Å; Q449-Q451 HydrophobicContact CB-CG 4.23Å; Q449-Q451 PolarHBondContact O-N 2.74Å; Q451-E499 CarbonylContact C-O 3.57Å; Q451-E499 WeakPolarHBondContact CA-O 3.36Å; Q451-E499 WeakPolarHBondContact CB-O 3.41Å; Q451-E499 HydrophobicContact CG-CB 4.16Å; Q451-E499 VanDerWaalsContact NE2-CD 3.31Å; Q451-E499 PolarHBondContact NE2-OE2 3.5Å; Q451-L501 HydrophobicContact CB-CG 4.44Å
452R91.8Very high93.7Very high50 Ų5024.6 Ų24.619%0.18913%0.126CC..EExtended strand (participates in β ladder)trans-81.8133.4-178.5-169.9-177.6-65.8129.80.7110M416 Q443 V454 P498 E499 E500 L501M416-R452 VanDerWaalsContact CE-NH1 3.26Å; Q443-R452 HydrophobicContact CG-CG 3.75Å; R452-V454 HydrophobicContact CB-CG1 4.46Å; R452-V454 HydrophobicContact CG-CG1 3.81Å; R452-P498 HydrophobicContact CB-CG 4.4Å; R452-E499 PolarHBondContact N-O 2.89Å; R452-E500 HydrophobicContact CB-CG 4.38Å; R452-E500 IonicContact NH1-OE1 3.44Å; R452-E500 PolarHBondContact NH1-OE1 3.26Å; R452-E500 VanDerWaalsContact NH1-OE1 3.09Å; R452-E500 CarbonylContact O-C 3.55Å; R452-E500 VanDerWaalsContact O-CA 3.31Å; R452-E500 WeakPolarHBondContact O-CA 3.49Å; R452-L501 PolarHBondContact O-N 3.45Å
453I94Very high93.5Very high0 Ų024.6 Ų24.60%013%0.126CC..EExtended strand (participates in β ladder)trans-96.3122.8172.8-45.6178.8000108.8W115 V444 G445 T447 L501 A503 W620W115-I453 HydrophobicContact CD2-CD1 4.15Å; W115-I453 HydrophobicContact CE3-CB 4.49Å; W115-I453 HydrophobicContact CE3-CD1 3.89Å; W115-I453 HydrophobicContact CE3-CG2 3.91Å; W115-I453 HydrophobicContact CH2-CG2 4.32Å; W115-I453 HydrophobicContact CZ3-CD1 4.22Å; W115-I453 HydrophobicContact CZ3-CG2 3.5Å; W115-I453 VanDerWaalsContact CZ3-CG2 3.5Å; V444-I453 HydrophobicContact CG2-CB 4.13Å; V444-I453 HydrophobicContact CG2-CG2 3.7Å; V444-I453 PolarHBondContact N-O 2.85Å; G445-I453 PolarHBondContact N-O 3.43Å; G445-I453 PolarHBondContact O-N 3.34Å; T447-I453 HydrophobicContact CG2-CD1 4.2Å; T447-I453 HydrophobicContact CG2-CG1 4.11Å; I453-L501 WeakPolarHBondContact CA-O 3.05Å; I453-A503 HydrophobicContact CG2-CB 3.92Å; I453-W620 HydrophobicContact CB-CH2 4.26Å; I453-W620 HydrophobicContact CD1-CH2 3.82Å; I453-W620 HydrophobicContact CD1-CZ2 4.23Å; I453-W620 HydrophobicContact CG1-CH2 3.85Å; I453-W620 HydrophobicContact CG2-CH2 3.49Å; I453-W620 VanDerWaalsContact CG2-CH2 3.49Å; I453-W620 HydrophobicContact CG2-CZ3 3.56Å
454V96.2Very high93.2Very high0 Ų023.3 Ų23.30%013%0.126CC..EExtended strand (participates in β ladder)trans-125.8160.4-173.8-55.60000111.9M416 K441 V442 R452 Y456 E500 L501 V502 A503M416-V454 HydrophobicContact CE-CG1 4.44Å; M416-V454 HydrophobicContact SD-CG1 3.71Å; K441-V454 HydrophobicContact CG-CB 4.49Å; V442-V454 CarbonylContact O-C 3.56Å; V442-V454 WeakPolarHBondContact O-CA 3.44Å; V442-V454 WeakPolarHBondContact O-CB 3.21Å; R452-V454 HydrophobicContact CB-CG1 4.46Å; R452-V454 HydrophobicContact CG-CG1 3.81Å; V454-Y456 HydrophobicContact CG2-CE2 4.32Å; V454-E500 HydrophobicContact CG2-CB 4.3Å; V454-L501 PolarHBondContact N-O 2.73Å; V454-V502 HydrophobicContact CG2-CG2 3.89Å; V454-V502 WeakPolarHBondContact O-CA 3.48Å; V454-A503 PolarHBondContact O-N 2.82Å
455G97.8Very high92.9Very high0 Ų025 Ų250%014%0.137CC..EExtended strand (participates in β ladder)trans-138.6151171.500000111.6K441 V442 F504K441-G455 WeakPolarHBondContact CA-O 3.49Å; V442-G455 WeakPolarHBondContact CG2-O 3.47Å; V442-G455 PolarHBondContact N-O 3.07Å; V442-G455 PolarHBondContact O-N 3.34Å; G455-F504 WeakPolarHBondContact CA-O 3.42Å
456Y98.8Very high92.4Very high6 Ų629.1 Ų29.12%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-107.5137.1177.9-71.3-88000110.4L440 K441 V454 F486 T490 V502 F504 D505 V506L440-Y456 WeakPolarHBondContact O-CA 3.39Å; K441-Y456 HydrophobicContact CB-CD1 4.41Å; K441-Y456 HydrophobicContact CB-CE1 4.12Å; K441-Y456 HydrophobicContact CD-CE1 4.04Å; K441-Y456 HydrophobicContact CG-CD1 4.48Å; K441-Y456 HydrophobicContact CG-CE1 3.97Å; V454-Y456 HydrophobicContact CG2-CE2 4.32Å; Y456-F486 AromaticContact CD1-CD1 3.97Å; Y456-F486 HydrophobicContact CD1-CD1 3.97Å; Y456-F486 AromaticContact CD1-CE1 3.85Å; Y456-F486 HydrophobicContact CD1-CE1 3.85Å; Y456-F486 HydrophobicContact CE1-CD1 4.11Å; Y456-F486 AromaticContact CE1-CE1 3.97Å; Y456-F486 HydrophobicContact CE1-CE1 3.97Å; Y456-T490 WeakPolarHBondContact CE1-OG1 3.41Å; Y456-T490 PolarHBondContact OH-OG1 3.02Å; Y456-V502 HydrophobicContact CD2-CG1 3.85Å; Y456-V502 HydrophobicContact CE2-CG1 4.16Å; Y456-V502 HydrophobicContact CE2-CG2 3.97Å; Y456-F504 PolarHBondContact N-O 3.37Å; Y456-D505 WeakPolarHBondContact O-CA 3.1Å; Y456-V506 PolarHBondContact O-N 2.73Å
457I98.9Very high92.2Very high4 Ų436.3 Ų36.32%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-137.7131.1177.6-54.1169.6000108.1F126 F359 F409 L440 V442 F504 V506F126-I457 HydrophobicContact CD1-CD1 4.3Å; F126-I457 HydrophobicContact CE1-CD1 3.98Å; F126-I457 HydrophobicContact CE1-CG1 4.15Å; F359-I457 HydrophobicContact CB-CD1 3.88Å; F359-I457 HydrophobicContact CD1-CD1 3.44Å; F359-I457 VanDerWaalsContact CD1-CD1 3.44Å; F359-I457 HydrophobicContact CD2-CD1 4.01Å; F359-I457 HydrophobicContact CE1-CD1 3.91Å; F359-I457 HydrophobicContact CE2-CD1 4.42Å; F359-I457 HydrophobicContact CG-CD1 3.48Å; F359-I457 VanDerWaalsContact CG-CD1 3.48Å; F359-I457 HydrophobicContact CZ-CD1 4.38Å; F409-I457 HydrophobicContact CE2-CD1 3.86Å; F409-I457 HydrophobicContact CE2-CG2 4.16Å; F409-I457 HydrophobicContact CZ-CD1 3.88Å; L440-I457 HydrophobicContact CB-CB 4.42Å; L440-I457 HydrophobicContact CD1-CB 4.36Å; L440-I457 HydrophobicContact CD1-CG2 4.39Å; L440-I457 PolarHBondContact N-O 2.97Å; L440-I457 PolarHBondContact O-N 3.25Å; V442-I457 HydrophobicContact CG2-CD1 4.3Å; I457-F504 HydrophobicContact CD1-CE2 4.19Å; I457-F504 HydrophobicContact CG1-CE2 3.96Å; I457-V506 CarbonylContact C-O 3.52Å; I457-V506 VanDerWaalsContact CA-O 3.29Å; I457-V506 WeakPolarHBondContact CA-O 3.44Å
458A98.8Very high92.3Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-121.2135.416700000110.7L438 F439 L483 V506 V507 C508L438-A458 CarbonylContact O-C 3.58Å; L438-A458 VanDerWaalsContact O-CA 3.23Å; L438-A458 WeakPolarHBondContact O-CA 3.1Å; F439-A458 HydrophobicContact CD1-CB 3.77Å; F439-A458 HydrophobicContact CE1-CB 3.99Å; A458-L483 HydrophobicContact CB-CD2 3.57Å; A458-V506 PolarHBondContact N-O 3.29Å; A458-V507 HydrophobicContact CB-CG2 4.27Å; A458-V507 CarbonylContact O-C 3.52Å; A458-V507 WeakPolarHBondContact O-CA 3.4Å; A458-C508 PolarHBondContact O-N 3.37Å
459C98.4Very high92.6Very high0 Ų036 Ų360%018%0.183CC..EExtended strand (participates in β ladder)trans-123.9136.8170.671.60000111.7C361 A437 L438 C508C361-C459 HydrophobicContact CB-CB 3.57Å; A437-C459 WeakPolarHBondContact CA-O 3.49Å; L438-C459 PolarHBondContact N-O 3.27Å; L438-C459 PolarHBondContact O-N 3.39Å; C459-C508 VanDerWaalsContact CA-O 3.24Å; C459-C508 WeakPolarHBondContact CA-O 3.4Å
460T98.4Very high92.9Very high1 Ų133.5 Ų33.51%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-133.8159.8-175.4-174.10000111.7Y423 G436 L462 L479 C508 G509 D510 F511Y423-T460 WeakPolarHBondContact CE2-OG1 3.24Å; Y423-T460 PolarHBondContact OH-OG1 2.91Å; G436-T460 WeakPolarHBondContact O-CA 3.45Å; G436-T460 PolarHBondContact O-OG1 3.29Å; T460-L462 HydrophobicContact CG2-CD2 4.13Å; T460-L462 HydrophobicContact CG2-CG 4.36Å; T460-L462 WeakPolarHBondContact OG1-CD2 3.33Å; T460-L479 HydrophobicContact CG2-CD2 4.14Å; T460-C508 PolarHBondContact N-O 3.26Å; T460-G509 WeakPolarHBondContact O-CA 3.1Å; T460-D510 PolarHBondContact O-N 2.79Å; T460-F511 HydrophobicContact CG2-CD1 3.8Å; T460-F511 HydrophobicContact CG2-CE1 3.31Å; T460-F511 HydrophobicContact CG2-CZ 4.04Å
461H96.4Very high93.3Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-131.4111.5163.2-174.7179.4000107.1Q363 E364 L407 K435 G436 D510 N512Q363-H461 HydrophobicContact CG-CB 4.23Å; E364-H461 IonicContact OE1-CE1 2.83Å; E364-H461 PolarHBondContact OE1-CE1 3.17Å; E364-H461 VanDerWaalsContact OE1-CE1 3.31Å; E364-H461 IonicContact OE1-NE2 2.82Å; L407-H461 HydrophobicContact CD2-CB 4.2Å; K435-H461 HydrophobicContact CD-CB 4.13Å; K435-H461 VanDerWaalsContact CE-NE2 3.31Å; K435-H461 WeakPolarHBondContact CE-NE2 3.26Å; G436-H461 PolarHBondContact O-N 3.17Å; H461-D510 WeakPolarHBondContact CA-O 3.45Å; H461-D510 IonicContact NE2-OD2 3.88Å; H461-N512 PolarHBondContact CD2-ND2 3.26Å; H461-N512 PolarHBondContact NE2-ND2 3.16Å
462L95.3Very high93.6Very high0 Ų028.3 Ų28.30%016%0.158CC..  trans-84.1172.1-177.5-57.3-171.9000112Y423 K435 T460 A464 Q475 L476 D510 F511 N512 F513Y423-L462 HydrophobicContact CE2-CD2 3.57Å; Y423-L462 WeakPolarHBondContact OH-CD2 3.36Å; K435-L462 WeakPolarHBondContact CE-O 3.3Å; T460-L462 HydrophobicContact CG2-CD2 4.13Å; T460-L462 HydrophobicContact CG2-CG 4.36Å; T460-L462 WeakPolarHBondContact OG1-CD2 3.33Å; L462-A464 PolarHBondContact O-N 3.35Å; L462-Q475 HydrophobicContact CD2-CB 3.99Å; L462-L476 HydrophobicContact CD1-CD2 3.8Å; L462-L476 HydrophobicContact CD1-CG 4.12Å; L462-D510 PolarHBondContact N-O 3.37Å; L462-F511 WeakPolarHBondContact CB-O 3.48Å; L462-F511 HydrophobicContact CD1-CB 3.86Å; L462-F511 HydrophobicContact CD1-CD1 4.41Å; L462-F511 HydrophobicContact CD1-CD2 4.18Å; L462-F511 HydrophobicContact CD1-CG 3.89Å; L462-F511 HydrophobicContact CG-CB 4.4Å; L462-F511 HydrophobicContact CG-CG 4.42Å; L462-N512 PolarHBondContact O-ND2 3.3Å; L462-F513 HydrophobicContact CD1-CD1 4.46Å; L462-F513 HydrophobicContact CD1-CE1 4.15Å
463H92.4Very high93.8Very high1 Ų127 Ų271%0.00516%0.156CC..  trans-59.3127.2178.5-172.466.6000112.5C427 D430 P465 D468 I471 R472 N512C427-H463 PolarHBondContact SG-CE1 3.31Å; D430-H463 IonicContact OD2-ND1 2.8Å; H463-P465 VanDerWaalsContact CE1-CD 3.48Å; H463-P465 WeakPolarHBondContact CE1-CD 3.32Å; H463-P465 WeakPolarHBondContact NE2-CD 3.41Å; H463-P465 WeakPolarHBondContact NE2-CG 3.46Å; H463-D468 VanDerWaalsContact CD2-CB 3.41Å; H463-D468 WeakPolarHBondContact CD2-CB 3.41Å; H463-D468 IonicContact CD2-OD2 2.76Å; H463-D468 IonicContact CE1-OD2 2.79Å; H463-D468 WeakPolarHBondContact NE2-CB 3.37Å; H463-D468 IonicContact NE2-OD2 3.69Å; H463-D468 PolarHBondContact NE2-OD2 2.84Å; H463-I471 HydrophobicContact CB-CG2 3.89Å; H463-R472 HydrophobicContact CB-CG 4.18Å; H463-R472 WeakPolarHBondContact O-CD 3.42Å; H463-N512 WeakPolarHBondContact O-CB 3.4Å
464A89.3Confident93.9Very high34 Ų3428.4 Ų28.428%0.28117%0.171SC..  trans-82.5-39.2-168.700000116.7D430 L462 Q466D430-A464 PolarHBondContact OD2-N 3.49Å; L462-A464 PolarHBondContact O-N 3.35Å; A464-Q466 PolarHBondContact O-N 3.12Å
465P86.9Confident93.9Very high41 Ų4128.7 Ų28.727%0.26617%0.172SC..  trans-52.8121.6-178.4-31.135.6000114H463 E467 D468 R472H463-P465 VanDerWaalsContact CE1-CD 3.48Å; H463-P465 WeakPolarHBondContact CE1-CD 3.32Å; H463-P465 WeakPolarHBondContact NE2-CD 3.41Å; H463-P465 WeakPolarHBondContact NE2-CG 3.46Å; P465-E467 VanDerWaalsContact C-N 3.28Å; P465-E467 PolarHBondContact O-N 3.27Å; P465-D468 HydrophobicContact CB-CB 4.38Å; P465-D468 PolarHBondContact O-N 2.99Å; P465-R472 PolarHBondContact O-NH1 2.88Å
466Q83.3Confident93.9Very high90 Ų9028.7 Ų28.742%0.42117%0.172SC..THydrogen-bonded Turntrans-59.2-35.6-170.9-66.4-1808.700113.3A464 D468 R472A464-Q466 PolarHBondContact O-N 3.12Å; Q466-D468 VanDerWaalsContact C-N 3.28Å; Q466-D468 PolarHBondContact O-N 3.04Å; Q466-R472 PolarHBondContact O-NH2 2.96Å
467E86.1Confident93.9Very high162 Ų16232.3 Ų32.376%0.75719%0.192SC*.THydrogen-bonded Turntrans-74-14.6-176.1-54.4-60.5152.600114.1P465 S469P465-E467 VanDerWaalsContact C-N 3.28Å; P465-E467 PolarHBondContact O-N 3.27Å; E467-S469 VanDerWaalsContact C-N 3.33Å; E467-S469 PolarHBondContact O-N 3.49Å; E467-S469 VanDerWaalsContact O-N 3.16Å
468D90.3Very high93.9Very high56 Ų5634.4 Ų34.430%0.29920%0.203SC..  trans-93.547.7-168-73.3-16.1000113.1H463 P465 Q466 A470 I471 R472H463-D468 VanDerWaalsContact CD2-CB 3.41Å; H463-D468 WeakPolarHBondContact CD2-CB 3.41Å; H463-D468 IonicContact CD2-OD2 2.76Å; H463-D468 IonicContact CE1-OD2 2.79Å; H463-D468 WeakPolarHBondContact NE2-CB 3.37Å; H463-D468 IonicContact NE2-OD2 3.69Å; H463-D468 PolarHBondContact NE2-OD2 2.84Å; P465-D468 HydrophobicContact CB-CB 4.38Å; P465-D468 PolarHBondContact O-N 2.99Å; Q466-D468 VanDerWaalsContact C-N 3.28Å; Q466-D468 PolarHBondContact O-N 3.04Å; D468-A470 VanDerWaalsContact C-N 3.27Å; D468-A470 PolarHBondContact O-N 3.47Å; D468-I471 HydrophobicContact CB-CB 4.32Å; D468-I471 HydrophobicContact CB-CD1 3.97Å; D468-I471 HydrophobicContact CB-CG1 4.21Å; D468-I471 WeakPolarHBondContact O-CB 3.27Å; D468-I471 PolarHBondContact O-N 2.54Å; D468-R472 PolarHBondContact O-N 3.43Å
469S91.9Very high93.9Very high17 Ų1734.4 Ų34.412%0.11920%0.203CC..Hα-helixtrans-56.3-37.8-176.2-540000114E467 I471 R472 C473 D519 E523E467-S469 VanDerWaalsContact C-N 3.33Å; E467-S469 PolarHBondContact O-N 3.49Å; E467-S469 VanDerWaalsContact O-N 3.16Å; S469-I471 VanDerWaalsContact C-N 3.28Å; S469-I471 PolarHBondContact O-N 2.79Å; S469-R472 PolarHBondContact O-N 2.73Å; S469-R472 PolarHBondContact OG-NH2 2.86Å; S469-C473 PolarHBondContact O-N 2.87Å; S469-C473 PolarHBondContact O-SG 3.05Å; S469-D519 PolarHBondContact OG-O 3.29Å; S469-E523 WeakPolarHBondContact CA-OE1 3.19Å; S469-E523 VanDerWaalsContact CB-OE1 3.25Å; S469-E523 WeakPolarHBondContact CB-OE1 3.15Å; S469-E523 WeakPolarHBondContact CB-OE2 3.34Å; S469-E523 PolarHBondContact OG-OE1 2.74Å
470A92.9Very high93.9Very high78 Ų7836.6 Ų36.665%0.64521%0.213SC*.Hα-helixtrans-64.9-32.817900000112.5D468 G474D468-A470 VanDerWaalsContact C-N 3.27Å; D468-A470 PolarHBondContact O-N 3.47Å; A470-G474 PolarHBondContact O-N 3.08Å
471I92.1Very high93.9Very high55 Ų5541.1 Ų41.128%0.28224%0.237SC..Hα-helixtrans-68.5-46.5176-60.5-176000109.2H463 D468 S469 C473 G474 Q475H463-I471 HydrophobicContact CB-CG2 3.89Å; D468-I471 HydrophobicContact CB-CB 4.32Å; D468-I471 HydrophobicContact CB-CD1 3.97Å; D468-I471 HydrophobicContact CB-CG1 4.21Å; D468-I471 WeakPolarHBondContact O-CB 3.27Å; D468-I471 PolarHBondContact O-N 2.54Å; S469-I471 VanDerWaalsContact C-N 3.28Å; S469-I471 PolarHBondContact O-N 2.79Å; I471-C473 VanDerWaalsContact C-N 3.33Å; I471-C473 PolarHBondContact O-N 3.04Å; I471-G474 PolarHBondContact O-N 3.5Å; I471-Q475 HydrophobicContact CG2-CG 4.49Å; I471-Q475 WeakPolarHBondContact O-CG 3.24Å; I471-Q475 PolarHBondContact O-N 3.31Å
472R95.3Very high94Very high0 Ų042.9 Ų42.90%024%0.244CC..Hα-helixtrans-60.9-41176.6-72.5-171.2-67.1-89.50.9112H463 P465 Q466 D468 S469 Q475 L476 F511 D520 E523H463-R472 HydrophobicContact CB-CG 4.18Å; H463-R472 WeakPolarHBondContact O-CD 3.42Å; P465-R472 PolarHBondContact O-NH1 2.88Å; Q466-R472 PolarHBondContact O-NH2 2.96Å; D468-R472 PolarHBondContact O-N 3.43Å; S469-R472 PolarHBondContact O-N 2.73Å; S469-R472 PolarHBondContact OG-NH2 2.86Å; R472-Q475 WeakPolarHBondContact O-CB 3.47Å; R472-Q475 PolarHBondContact O-N 2.82Å; R472-L476 VanDerWaalsContact O-CG 3.3Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 2.62Å; R472-F511 WeakPolarHBondContact CD-O 3.33Å; R472-D520 IonicContact NH2-OD1 3.94Å; R472-D520 PolarHBondContact NH2-OD1 2.79Å; R472-E523 HydrophobicContact CB-CG 3.81Å; R472-E523 IonicContact CZ-OE1 2.74Å; R472-E523 IonicContact NE-OE1 3.32Å; R472-E523 PolarHBondContact NE-OE1 3.24Å; R472-E523 IonicContact NH2-OE1 3.75Å; R472-E523 PolarHBondContact NH2-OE1 3.3Å
473C97.1Very high94.1Very high22 Ų2243.5 Ų43.515%0.14925%0.247CC..Hα-helixtrans-58-50.2173.2-66.70000111.8S469 I471 Q475 L476 D477S469-C473 PolarHBondContact O-N 2.87Å; S469-C473 PolarHBondContact O-SG 3.05Å; I471-C473 VanDerWaalsContact C-N 3.33Å; I471-C473 PolarHBondContact O-N 3.04Å; C473-Q475 VanDerWaalsContact C-N 3.25Å; C473-Q475 PolarHBondContact O-N 3.23Å; C473-L476 WeakPolarHBondContact O-CA 3.37Å; C473-L476 WeakPolarHBondContact O-CB 3.36Å; C473-L476 PolarHBondContact O-N 2.91Å; C473-D477 PolarHBondContact O-N 2.97Å
474G96.1Very high94.3Very high30 Ų3046.4 Ų46.431%0.30927%0.271SS..Hα-helixtrans-63.4-29.2177.200000113.8A470 I471 L478A470-G474 PolarHBondContact O-N 3.08Å; I471-G474 PolarHBondContact O-N 3.5Å; G474-L478 WeakPolarHBondContact O-CG 3.44Å; G474-L478 PolarHBondContact O-N 2.81Å
475Q96Very high94.7Very high5 Ų549.3 Ų49.32%0.02328%0.282CS..Hα-helixtrans-71.4-36.7171.4-69.7-179.7-2000112.2Y423 L462 I471 R472 C473 L478 L479Y423-Q475 HydrophobicContact CD1-CB 3.86Å; Y423-Q475 HydrophobicContact CD1-CG 3.74Å; Y423-Q475 HydrophobicContact CD2-CB 4.33Å; Y423-Q475 HydrophobicContact CD2-CG 3.97Å; Y423-Q475 HydrophobicContact CE1-CB 3.81Å; Y423-Q475 HydrophobicContact CE1-CG 4.21Å; Y423-Q475 VanDerWaalsContact CE1-O 3.27Å; Y423-Q475 WeakPolarHBondContact CE1-O 3.47Å; Y423-Q475 HydrophobicContact CE2-CB 4.31Å; Y423-Q475 HydrophobicContact CE2-CG 4.44Å; Y423-Q475 HydrophobicContact CG-CB 4.14Å; Y423-Q475 HydrophobicContact CG-CG 3.62Å; L462-Q475 HydrophobicContact CD2-CB 3.99Å; I471-Q475 HydrophobicContact CG2-CG 4.49Å; I471-Q475 WeakPolarHBondContact O-CG 3.24Å; I471-Q475 PolarHBondContact O-N 3.31Å; R472-Q475 WeakPolarHBondContact O-CB 3.47Å; R472-Q475 PolarHBondContact O-N 2.82Å; C473-Q475 VanDerWaalsContact C-N 3.25Å; C473-Q475 PolarHBondContact O-N 3.23Å; Q475-L478 PolarHBondContact O-N 3.21Å; Q475-L479 WeakPolarHBondContact O-CB 3.4Å; Q475-L479 PolarHBondContact O-N 3.01Å
476L98.4Very high95.2Very high0 Ų048.1 Ų48.10%027%0.273CS..Hα-helixtrans-67.7-36.6174.6-67.9167000111.8L462 R472 C473 L479 Q480 F511 F513 E523 H526 L528L462-L476 HydrophobicContact CD1-CD2 3.8Å; L462-L476 HydrophobicContact CD1-CG 4.12Å; R472-L476 VanDerWaalsContact O-CG 3.3Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 2.62Å; C473-L476 WeakPolarHBondContact O-CA 3.37Å; C473-L476 WeakPolarHBondContact O-CB 3.36Å; C473-L476 PolarHBondContact O-N 2.91Å; L476-L479 HydrophobicContact CD2-CD2 4.44Å; L476-L479 PolarHBondContact O-N 3.2Å; L476-Q480 PolarHBondContact O-N 2.83Å; L476-F511 HydrophobicContact CD2-CD2 4.21Å; L476-F511 HydrophobicContact CD2-CE2 4.1Å; L476-F513 HydrophobicContact CD1-CE1 3.81Å; L476-F513 HydrophobicContact CD1-CZ 4.12Å; L476-F513 HydrophobicContact CD2-CE1 4.26Å; L476-F513 HydrophobicContact CG-CE1 4.49Å; L476-E523 HydrophobicContact CD1-CB 4.16Å; L476-E523 HydrophobicContact CD1-CG 4.45Å; L476-H526 VanDerWaalsContact C-CE1 3.43Å; L476-H526 VanDerWaalsContact CB-CE1 3.41Å; L476-H526 WeakPolarHBondContact CB-CE1 3.37Å; L476-H526 WeakPolarHBondContact CB-NE2 3.01Å; L476-H526 HydrophobicContact CD1-CB 3.91Å; L476-H526 PolarHBondContact O-CE1 2.89Å; L476-L528 HydrophobicContact CD2-CD2 3.77Å
477D98.3Very high95.8Very high83 Ų8346.5 Ų46.544%0.44426%0.263SS..Hα-helixtrans-58.2-52.3171.5-69.2-40.9000110C473 L479 Q480 D481 H526C473-D477 PolarHBondContact O-N 2.97Å; D477-L479 VanDerWaalsContact C-N 3.33Å; D477-L479 PolarHBondContact O-N 3.47Å; D477-Q480 WeakPolarHBondContact O-CB 3.45Å; D477-Q480 PolarHBondContact O-N 3.18Å; D477-Q480 VanDerWaalsContact O-N 3.17Å; D477-D481 PolarHBondContact O-N 3.3Å; D477-H526 PolarHBondContact N-NE2 2.76Å; D477-H526 IonicContact OD1-NE2 2.99Å; D477-H526 PolarHBondContact OD1-NE2 2.9Å; D477-H526 VanDerWaalsContact OD1-NE2 3.12Å
478L98.1Very high96.1Very high48 Ų4846.8 Ų46.825%0.25126%0.261SS..Hα-helixtrans-61.5-39.6177.6-71.7171.9000112.5Y423 P424 G474 Q475 Q480 D481 W482Y423-L478 HydrophobicContact CD1-CB 4.28Å; Y423-L478 HydrophobicContact CD1-CD1 4.1Å; Y423-L478 HydrophobicContact CE1-CB 4.17Å; P424-L478 VanDerWaalsContact CD-CD1 3.46Å; P424-L478 HydrophobicContact CG-CD1 4.02Å; G474-L478 WeakPolarHBondContact O-CG 3.44Å; G474-L478 PolarHBondContact O-N 2.81Å; Q475-L478 PolarHBondContact O-N 3.21Å; L478-Q480 VanDerWaalsContact C-N 3.32Å; L478-Q480 PolarHBondContact O-N 2.86Å; L478-D481 PolarHBondContact O-N 3.05Å; L478-W482 HydrophobicContact CB-CD2 4.32Å; L478-W482 HydrophobicContact CB-CE3 4.28Å; L478-W482 HydrophobicContact CB-CH2 4Å; L478-W482 HydrophobicContact CB-CZ2 4Å; L478-W482 HydrophobicContact CB-CZ3 4.14Å; L478-W482 HydrophobicContact CD1-CH2 4.08Å; L478-W482 HydrophobicContact CD1-CZ2 4.16Å; L478-W482 HydrophobicContact CD2-CZ2 3.95Å; L478-W482 HydrophobicContact CG-CH2 4.48Å; L478-W482 HydrophobicContact CG-CZ2 4.27Å; L478-W482 WeakPolarHBondContact O-CB 3.47Å; L478-W482 VanDerWaalsContact O-CD2 3.23Å; L478-W482 PolarHBondContact O-N 3.12Å
479L98.5Very high96.3Very high0 Ų049 Ų490%028%0.282CS..Hα-helixtrans-59.8-45.1175.8177.560.6000110.5A437 F439 T460 Q475 L476 D477 W482 L483 V507 F511 L528A437-L479 HydrophobicContact CB-CD1 3.84Å; F439-L479 HydrophobicContact CE1-CD1 3.97Å; F439-L479 HydrophobicContact CZ-CD1 3.96Å; T460-L479 HydrophobicContact CG2-CD2 4.14Å; Q475-L479 WeakPolarHBondContact O-CB 3.4Å; Q475-L479 PolarHBondContact O-N 3.01Å; L476-L479 HydrophobicContact CD2-CD2 4.44Å; L476-L479 PolarHBondContact O-N 3.2Å; D477-L479 VanDerWaalsContact C-N 3.33Å; D477-L479 PolarHBondContact O-N 3.47Å; L479-W482 PolarHBondContact O-N 3.04Å; L479-L483 HydrophobicContact CD1-CD1 4.32Å; L479-L483 HydrophobicContact CD1-CG 4.33Å; L479-L483 HydrophobicContact CG-CD1 4.1Å; L479-L483 WeakPolarHBondContact O-CB 3.17Å; L479-L483 WeakPolarHBondContact O-CD1 3.39Å; L479-L483 WeakPolarHBondContact O-CG 3.42Å; L479-L483 PolarHBondContact O-N 2.87Å; L479-V507 HydrophobicContact CD2-CG1 4.2Å; L479-F511 HydrophobicContact CD2-CZ 4.46Å; L479-L528 HydrophobicContact CD2-CD2 4.04Å
480Q98.4Very high96.3Very high45 Ų4548.9 Ų48.921%0.2128%0.28CS..Hα-helixtrans-63.1-45178.6-173.8168.334.600112L476 D477 L478 L483 A484 S527 H531L476-Q480 PolarHBondContact O-N 2.83Å; D477-Q480 WeakPolarHBondContact O-CB 3.45Å; D477-Q480 PolarHBondContact O-N 3.18Å; D477-Q480 VanDerWaalsContact O-N 3.17Å; L478-Q480 VanDerWaalsContact C-N 3.32Å; L478-Q480 PolarHBondContact O-N 2.86Å; Q480-L483 PolarHBondContact O-N 3.04Å; Q480-A484 PolarHBondContact O-N 3.5Å; Q480-S527 PolarHBondContact OE1-OG 2.79Å; Q480-H531 PolarHBondContact NE2-CD2 3.49Å; Q480-H531 PolarHBondContact NE2-NE2 3.36Å
481D98.2Very high96.1Very high97 Ų9747.8 Ų47.852%0.51927%0.267SS..Hα-helixtrans-62-46.6176.3-73.8-16.8000111.6D477 L478 L483 A484 D485D477-D481 PolarHBondContact O-N 3.3Å; L478-D481 PolarHBondContact O-N 3.05Å; D481-L483 PolarHBondContact O-N 3.22Å; D481-A484 PolarHBondContact O-N 3.09Å; D481-D485 PolarHBondContact O-N 3.09Å
482W98.4Very high94.9Very high36 Ų3647.8 Ų47.814%0.13627%0.272CS..Hα-helixtrans-69.7-30.4-178.7-64-20.9000113.5H421 Y423 A437 F439 L478 L479 F486H421-W482 HydrophobicContact CB-CD2 3.72Å; H421-W482 HydrophobicContact CB-CE3 3.42Å; H421-W482 VanDerWaalsContact CB-CE3 3.42Å; H421-W482 HydrophobicContact CB-CH2 3.73Å; H421-W482 HydrophobicContact CB-CZ2 4.03Å; H421-W482 HydrophobicContact CB-CZ3 3.42Å; H421-W482 VanDerWaalsContact CB-CZ3 3.42Å; H421-W482 AromaticContact CG-CD2 3.89Å; Y423-W482 AromaticContact CD1-CH2 3.71Å; Y423-W482 HydrophobicContact CD1-CH2 3.71Å; Y423-W482 AromaticContact CD1-CZ3 3.48Å; Y423-W482 HydrophobicContact CD1-CZ3 3.48Å; Y423-W482 VanDerWaalsContact CD1-CZ3 3.48Å; Y423-W482 HydrophobicContact CE1-CE3 4.14Å; Y423-W482 HydrophobicContact CE1-CH2 4.08Å; Y423-W482 AromaticContact CE1-CZ3 3.38Å; Y423-W482 HydrophobicContact CE1-CZ3 3.38Å; Y423-W482 HydrophobicContact CG-CZ3 4.42Å; A437-W482 HydrophobicContact CB-CE3 4.48Å; F439-W482 HydrophobicContact CE1-CB 4.09Å; F439-W482 HydrophobicContact CE2-CB 3.82Å; F439-W482 HydrophobicContact CE2-CE3 4.29Å; F439-W482 HydrophobicContact CZ-CB 3.39Å; F439-W482 HydrophobicContact CZ-CE3 4.22Å; F439-W482 HydrophobicContact CZ-CG 4.4Å; L478-W482 HydrophobicContact CB-CD2 4.32Å; L478-W482 HydrophobicContact CB-CE3 4.28Å; L478-W482 HydrophobicContact CB-CH2 4Å; L478-W482 HydrophobicContact CB-CZ2 4Å; L478-W482 HydrophobicContact CB-CZ3 4.14Å; L478-W482 HydrophobicContact CD1-CH2 4.08Å; L478-W482 HydrophobicContact CD1-CZ2 4.16Å; L478-W482 HydrophobicContact CD2-CZ2 3.95Å; L478-W482 HydrophobicContact CG-CH2 4.48Å; L478-W482 HydrophobicContact CG-CZ2 4.27Å; L478-W482 WeakPolarHBondContact O-CB 3.47Å; L478-W482 VanDerWaalsContact O-CD2 3.23Å; L478-W482 PolarHBondContact O-N 3.12Å; L479-W482 PolarHBondContact O-N 3.04Å; W482-F486 VanDerWaalsContact O-CB 3.22Å; W482-F486 WeakPolarHBondContact O-CB 3.4Å; W482-F486 PolarHBondContact O-N 3.13Å
483L98.5Very high93Very high14 Ų1453.7 Ų53.77%0.07331%0.314CS..Hα-helixtrans-58.7-49.3169.8-77.1164.4000110.5F439 A458 L479 Q480 D481 R487 V507 L528 Y532F439-L483 HydrophobicContact CD1-CD2 3.93Å; F439-L483 HydrophobicContact CD1-CG 4.46Å; F439-L483 HydrophobicContact CE1-CD2 3.75Å; F439-L483 HydrophobicContact CE1-CG 3.84Å; A458-L483 HydrophobicContact CB-CD2 3.57Å; L479-L483 HydrophobicContact CD1-CD1 4.32Å; L479-L483 HydrophobicContact CD1-CG 4.33Å; L479-L483 HydrophobicContact CG-CD1 4.1Å; L479-L483 WeakPolarHBondContact O-CB 3.17Å; L479-L483 WeakPolarHBondContact O-CD1 3.39Å; L479-L483 WeakPolarHBondContact O-CG 3.42Å; L479-L483 PolarHBondContact O-N 2.87Å; Q480-L483 PolarHBondContact O-N 3.04Å; D481-L483 PolarHBondContact O-N 3.22Å; L483-R487 VanDerWaalsContact O-CB 3.31Å; L483-R487 WeakPolarHBondContact O-CB 3.35Å; L483-R487 PolarHBondContact O-N 2.94Å; L483-V507 HydrophobicContact CD1-CG2 3.79Å; L483-V507 HydrophobicContact CD2-CG2 3.89Å; L483-L528 HydrophobicContact CD1-CD1 3.95Å; L483-Y532 HydrophobicContact CD1-CD2 4.36Å; L483-Y532 HydrophobicContact CD1-CE2 3.64Å
484A97.1Very high91Very high62 Ų6255.6 Ų55.651%0.51233%0.327SS..Hα-helixtrans-65.3-43.7178.900000112.1Q480 D481 R487 K488Q480-A484 PolarHBondContact O-N 3.5Å; D481-A484 PolarHBondContact O-N 3.09Å; A484-R487 PolarHBondContact O-N 3.44Å; A484-K488 VanDerWaalsContact O-CB 3.31Å; A484-K488 WeakPolarHBondContact O-CB 3.28Å; A484-K488 PolarHBondContact O-N 2.96Å
485D97.2Very high89Confident94 Ų9461.5 Ų61.550%0.50336%0.357SS..Hα-helixtrans-63.7-44.7177.9-80.3-19.8000112.3D481 K488 S489D481-D485 PolarHBondContact O-N 3.09Å; D485-K488 PolarHBondContact O-N 3.05Å; D485-S489 VanDerWaalsContact O-CB 3.27Å; D485-S489 WeakPolarHBondContact O-CB 3.33Å; D485-S489 PolarHBondContact O-N 2.72Å
486F96.6Very high87.3Confident16 Ų1665.2 Ų65.27%0.0739%0.389CS..Hα-helixtrans-63.3-45177.3-177.9-104.2000111D417 A419 F439 K441 Y456 W482 K488 S489 T490D417-F486 HydrophobicContact CB-CE2 4.42Å; D417-F486 HydrophobicContact CB-CZ 4.13Å; A419-F486 HydrophobicContact CB-CD2 3.59Å; A419-F486 HydrophobicContact CB-CE2 3.74Å; F439-F486 HydrophobicContact CB-CB 4.15Å; F439-F486 HydrophobicContact CB-CD1 3.68Å; F439-F486 HydrophobicContact CB-CD2 3.75Å; F439-F486 HydrophobicContact CB-CE1 3.93Å; F439-F486 HydrophobicContact CB-CE2 4Å; F439-F486 HydrophobicContact CB-CG 3.57Å; F439-F486 HydrophobicContact CB-CZ 4.08Å; F439-F486 HydrophobicContact CD1-CB 4.36Å; F439-F486 HydrophobicContact CG-CB 4.24Å; F439-F486 HydrophobicContact CG-CG 4.2Å; K441-F486 HydrophobicContact CB-CE1 4.14Å; K441-F486 HydrophobicContact CB-CZ 4.2Å; Y456-F486 AromaticContact CD1-CD1 3.97Å; Y456-F486 HydrophobicContact CD1-CD1 3.97Å; Y456-F486 AromaticContact CD1-CE1 3.85Å; Y456-F486 HydrophobicContact CD1-CE1 3.85Å; Y456-F486 HydrophobicContact CE1-CD1 4.11Å; Y456-F486 AromaticContact CE1-CE1 3.97Å; Y456-F486 HydrophobicContact CE1-CE1 3.97Å; W482-F486 VanDerWaalsContact O-CB 3.22Å; W482-F486 WeakPolarHBondContact O-CB 3.4Å; W482-F486 PolarHBondContact O-N 3.13Å; F486-K488 PolarHBondContact O-N 2.66Å; F486-S489 PolarHBondContact O-N 2.95Å; F486-T490 HydrophobicContact CD2-CG2 4.1Å; F486-T490 HydrophobicContact CE1-CG2 4.42Å; F486-T490 HydrophobicContact CE2-CG2 3.77Å; F486-T490 HydrophobicContact CZ-CG2 3.95Å; F486-T490 WeakPolarHBondContact O-CB 3.29Å; F486-T490 WeakPolarHBondContact O-CG2 3.45Å; F486-T490 PolarHBondContact O-N 3.01Å; F486-T490 PolarHBondContact O-OG1 2.81Å
487R95.6Very high85.7Confident57 Ų5768.8 Ų68.822%0.21541%0.408CS..Hα-helixtrans-57.9-47.9175.2-179.759.2179.3-91.2-6111L483 A484 T490 S491 V502 D505 G615L483-R487 VanDerWaalsContact O-CB 3.31Å; L483-R487 WeakPolarHBondContact O-CB 3.35Å; L483-R487 PolarHBondContact O-N 2.94Å; A484-R487 PolarHBondContact O-N 3.44Å; R487-T490 PolarHBondContact O-N 3.32Å; R487-S491 VanDerWaalsContact O-CB 3.24Å; R487-S491 WeakPolarHBondContact O-CB 3.24Å; R487-S491 PolarHBondContact O-N 3.11Å; R487-S491 PolarHBondContact O-OG 2.97Å; R487-V502 VanDerWaalsContact NH2-CG2 3.34Å; R487-D505 IonicContact NH1-OD2 2.85Å; R487-D505 PolarHBondContact NH1-OD2 2.86Å; R487-G615 PolarHBondContact NH1-O 3.01Å; R487-G615 PolarHBondContact NH2-O 2.75Å
488K94.3Very high84.5Confident167 Ų16767.2 Ų67.273%0.72640%0.402SS*.Hα-helixtrans-62.9-44.9177.7-179.8-176.7174.2-173.50112.4A484 D485 F486 T490A484-K488 VanDerWaalsContact O-CB 3.31Å; A484-K488 WeakPolarHBondContact O-CB 3.28Å; A484-K488 PolarHBondContact O-N 2.96Å; D485-K488 PolarHBondContact O-N 3.05Å; F486-K488 PolarHBondContact O-N 2.66Å; K488-T490 VanDerWaalsContact C-N 3.28Å; K488-T490 PolarHBondContact O-N 2.86Å
489S93.4Very high84Confident104 Ų10471 Ų7173%0.72742%0.419SS*.Hα-helixtrans-69.9-23.9-176.7-176.20000113.5D485 F486D485-S489 VanDerWaalsContact O-CB 3.27Å; D485-S489 WeakPolarHBondContact O-CB 3.33Å; D485-S489 PolarHBondContact O-N 2.72Å; F486-S489 PolarHBondContact O-N 2.95Å
490T92.8Very high83.6Confident14 Ų1472.6 Ų72.69%0.08643%0.426CS..Hα-helixtrans-110.1-7.9-176.460.50000113.1D417 K441 Y456 F486 R487 K488 S492D417-T490 HydrophobicContact CB-CG2 3.68Å; K441-T490 PolarHBondContact NZ-O 3.32Å; Y456-T490 WeakPolarHBondContact CE1-OG1 3.41Å; Y456-T490 PolarHBondContact OH-OG1 3.02Å; F486-T490 HydrophobicContact CD2-CG2 4.1Å; F486-T490 HydrophobicContact CE1-CG2 4.42Å; F486-T490 HydrophobicContact CE2-CG2 3.77Å; F486-T490 HydrophobicContact CZ-CG2 3.95Å; F486-T490 WeakPolarHBondContact O-CB 3.29Å; F486-T490 WeakPolarHBondContact O-CG2 3.45Å; F486-T490 PolarHBondContact O-N 3.01Å; F486-T490 PolarHBondContact O-OG1 2.81Å; R487-T490 PolarHBondContact O-N 3.32Å; K488-T490 VanDerWaalsContact C-N 3.28Å; K488-T490 PolarHBondContact O-N 2.86Å; T490-S492 PolarHBondContact O-N 3.42Å
491S87.3Confident83.4Confident54 Ų5471.8 Ų71.838%0.37842%0.423SS..  trans-73.1108.7168.3-64.30000108.9R487 S493R487-S491 VanDerWaalsContact O-CB 3.24Å; R487-S491 WeakPolarHBondContact O-CB 3.24Å; R487-S491 PolarHBondContact O-N 3.11Å; R487-S491 PolarHBondContact O-OG 2.97Å; S491-S493 PolarHBondContact O-N 3.44Å
492S67.7Low83.3Confident55 Ų5567.6 Ų67.639%0.38540%0.401SS..  trans-80.6118.1178.5-70.90000110.5T490 N497T490-S492 PolarHBondContact O-N 3.42Å; S492-N497 PolarHBondContact OG-ND2 2.93Å; S492-N497 VanDerWaalsContact OG-ND2 3.11Å
493S55.1Low83.2Confident125 Ų12566 Ų6687%0.87440%0.395SS*.  trans-96.910.3163.972.60000112.7S491S491-S493 PolarHBondContact O-N 3.44Å
494S56Low83.2Confident61 Ų6165.3 Ų65.343%0.42739%0.392SS..  trans-76.6130.7-177.5-179.80000110.6A496 N497S494-A496 PolarHBondContact O-N 3.26Å; S494-A496 PolarHBondContact OG-N 3.38Å; S494-N497 PolarHBondContact O-N 3.36Å; S494-N497 VanDerWaalsContact O-N 3.1Å
495T53.9Low83.3Confident154 Ų15463 Ų6395%0.94537%0.371SS*.THydrogen-bonded Turntrans-61.2-11.4174.451.60000113.8
496A59.8Low83.3Confident83 Ų8358.5 Ų58.569%0.68635%0.347SS*.THydrogen-bonded Turntrans-86.2-11.7177.300000114.1S494S494-A496 PolarHBondContact O-N 3.26Å; S494-A496 PolarHBondContact OG-N 3.38Å
497N65.4Low83.4Confident75 Ų7557.7 Ų57.740%0.40134%0.343SS..SBendtrans-109.3146.9179.1-74.5-24.3000110.5S492 S494S492-N497 PolarHBondContact OG-ND2 2.93Å; S492-N497 VanDerWaalsContact OG-ND2 3.11Å; S494-N497 PolarHBondContact O-N 3.36Å; S494-N497 VanDerWaalsContact O-N 3.1Å
498P72.8Confident83.6Confident50 Ų5055 Ų5533%0.32533%0.333SS..  trans-61.5144.7171.527.7-33.8000109.6D450 R452D450-P498 WeakPolarHBondContact O-CB 3.3Å; R452-P498 HydrophobicContact CB-CG 4.4Å
499E86.3Confident83.8Confident127 Ų12747.1 Ų47.159%0.59330%0.299SS*.  trans-55.7144.9172.8-176.1177.9-167.900110.3Q451 R452Q451-E499 CarbonylContact C-O 3.57Å; Q451-E499 WeakPolarHBondContact CA-O 3.36Å; Q451-E499 WeakPolarHBondContact CB-O 3.41Å; Q451-E499 HydrophobicContact CG-CB 4.16Å; Q451-E499 VanDerWaalsContact NE2-CD 3.31Å; Q451-E499 PolarHBondContact NE2-OE2 3.5Å; R452-E499 PolarHBondContact N-O 2.89Å
500E91.5Very high84.1Confident35 Ų3542.1 Ų42.116%0.16426%0.264CS..EExtended strand (participates in β ladder)trans-115.5126.7-173.3-59.8-174.814100110.9K441 R452 V454K441-E500 IonicContact NZ-OE1 3.23Å; K441-E500 PolarHBondContact NZ-OE1 3.05Å; K441-E500 IonicContact NZ-OE2 3.8Å; K441-E500 PolarHBondContact NZ-OE2 3.23Å; R452-E500 HydrophobicContact CB-CG 4.38Å; R452-E500 IonicContact NH1-OE1 3.44Å; R452-E500 PolarHBondContact NH1-OE1 3.26Å; R452-E500 VanDerWaalsContact NH1-OE1 3.09Å; R452-E500 CarbonylContact O-C 3.55Å; R452-E500 VanDerWaalsContact O-CA 3.31Å; R452-E500 WeakPolarHBondContact O-CA 3.49Å; V454-E500 HydrophobicContact CG2-CB 4.3Å
501L93.1Very high84.3Confident27 Ų2741.5 Ų41.514%0.14126%0.26CS..EExtended strand (participates in β ladder)trans-104.4126.2174.4-58.1-177.2000109.6T447 Q451 R452 I453 V454 C617 W620T447-L501 HydrophobicContact CG2-CD1 3.53Å; Q451-L501 HydrophobicContact CB-CG 4.44Å; R452-L501 PolarHBondContact O-N 3.45Å; I453-L501 WeakPolarHBondContact CA-O 3.05Å; V454-L501 PolarHBondContact N-O 2.73Å; L501-C617 HydrophobicContact CB-CB 4.46Å; L501-W620 HydrophobicContact CB-CH2 3.56Å; L501-W620 HydrophobicContact CB-CZ2 4.45Å; L501-W620 HydrophobicContact CB-CZ3 3.74Å; L501-W620 HydrophobicContact CD1-CH2 3.74Å; L501-W620 HydrophobicContact CD1-CZ2 3.86Å; L501-W620 HydrophobicContact CG-CH2 4.33Å
502V95.9Very high84.8Confident10 Ų1039.9 Ų39.96%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-92.5117.3-176.8-174.90000110.3V454 Y456 R487 L616 C617V454-V502 HydrophobicContact CG2-CG2 3.89Å; V454-V502 WeakPolarHBondContact O-CA 3.48Å; Y456-V502 HydrophobicContact CD2-CG1 3.85Å; Y456-V502 HydrophobicContact CE2-CG1 4.16Å; Y456-V502 HydrophobicContact CE2-CG2 3.97Å; R487-V502 VanDerWaalsContact NH2-CG2 3.34Å; V502-L616 HydrophobicContact CG1-CD2 4Å; V502-C617 PolarHBondContact O-N 3.42Å
503A96.6Very high86.3Confident1 Ų137.2 Ų37.21%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-86.4-36-177.700000113.4W115 F124 V444 I453 V454 W620 V648W115-A503 HydrophobicContact CH2-CB 4.13Å; W115-A503 HydrophobicContact CZ3-CB 3.76Å; F124-A503 HydrophobicContact CE2-CB 4.43Å; V444-A503 HydrophobicContact CG2-CB 4.34Å; I453-A503 HydrophobicContact CG2-CB 3.92Å; V454-A503 PolarHBondContact O-N 2.82Å; A503-W620 HydrophobicContact CB-CE3 4.28Å; A503-W620 HydrophobicContact CB-CZ3 4.04Å; A503-V648 HydrophobicContact CB-CG1 4.43Å; A503-V648 HydrophobicContact CB-CG2 4.45Å; A503-V648 WeakPolarHBondContact O-CG2 3.5Å
504F98.3Very high88.3Confident1 Ų131.3 Ų31.30%0.00419%0.187CC..EExtended strand (participates in β ladder)trans-157.3158.7-179.654.9-101.1000111F124 F126 F359 V442 V444 G455 Y456 I457 V506 L646F124-F504 HydrophobicContact CB-CD1 4.34Å; F124-F504 HydrophobicContact CB-CE1 4.13Å; F124-F504 AromaticContact CD1-CE1 3.8Å; F124-F504 HydrophobicContact CD1-CE1 3.8Å; F124-F504 AromaticContact CD2-CD1 3.7Å; F124-F504 HydrophobicContact CD2-CD1 3.7Å; F124-F504 AromaticContact CD2-CE1 3.71Å; F124-F504 HydrophobicContact CD2-CE1 3.71Å; F124-F504 HydrophobicContact CE1-CE1 4.11Å; F124-F504 HydrophobicContact CE2-CD1 4.11Å; F124-F504 HydrophobicContact CE2-CE1 4.01Å; F124-F504 AromaticContact CG-CD1 3.95Å; F124-F504 HydrophobicContact CG-CD1 3.95Å; F124-F504 AromaticContact CG-CE1 3.58Å; F124-F504 HydrophobicContact CG-CE1 3.58Å; F124-F504 HydrophobicContact CZ-CE1 4.19Å; F126-F504 AromaticContact CE1-CD2 3.82Å; F126-F504 HydrophobicContact CE1-CD2 3.82Å; F126-F504 AromaticContact CE1-CE2 3.58Å; F126-F504 HydrophobicContact CE1-CE2 3.58Å; F126-F504 HydrophobicContact CE1-CG 4.48Å; F126-F504 HydrophobicContact CE1-CZ 4.05Å; F126-F504 AromaticContact CZ-CD1 4Å; F126-F504 HydrophobicContact CZ-CD1 4Å; F126-F504 AromaticContact CZ-CD2 3.56Å; F126-F504 HydrophobicContact CZ-CD2 3.56Å; F126-F504 HydrophobicContact CZ-CE1 4.05Å; F126-F504 AromaticContact CZ-CE2 3.62Å; F126-F504 HydrophobicContact CZ-CE2 3.62Å; F126-F504 AromaticContact CZ-CG 3.77Å; F126-F504 HydrophobicContact CZ-CG 3.77Å; F126-F504 AromaticContact CZ-CZ 3.87Å; F126-F504 HydrophobicContact CZ-CZ 3.87Å; F359-F504 HydrophobicContact CD2-CZ 4.48Å; F359-F504 HydrophobicContact CE2-CE1 4.18Å; F359-F504 HydrophobicContact CE2-CE2 4.23Å; F359-F504 AromaticContact CE2-CZ 3.54Å; F359-F504 HydrophobicContact CE2-CZ 3.54Å; F359-F504 HydrophobicContact CZ-CE1 4.47Å; F359-F504 HydrophobicContact CZ-CE2 4.46Å; F359-F504 AromaticContact CZ-CZ 3.66Å; F359-F504 HydrophobicContact CZ-CZ 3.66Å; V442-F504 HydrophobicContact CG2-CE2 4.22Å; V442-F504 HydrophobicContact CG2-CZ 3.98Å; V444-F504 HydrophobicContact CG1-CE1 3.96Å; V444-F504 HydrophobicContact CG1-CZ 3.9Å; V444-F504 HydrophobicContact CG2-CE1 4.44Å; G455-F504 WeakPolarHBondContact CA-O 3.42Å; Y456-F504 PolarHBondContact N-O 3.37Å; I457-F504 HydrophobicContact CD1-CE2 4.19Å; I457-F504 HydrophobicContact CG1-CE2 3.96Å; F504-V506 HydrophobicContact CD2-CG2 4.24Å; F504-L646 HydrophobicContact CB-CD1 4.04Å
505D98.6Very high90.3Very high12 Ų1228.4 Ų28.46%0.06417%0.167CC..EExtended strand (participates in β ladder)trans-140.7112.5173.1-164.9-28.5000107.7Y456 R487 Y532 H611 A612 L616Y456-D505 WeakPolarHBondContact O-CA 3.1Å; R487-D505 IonicContact NH1-OD2 2.85Å; R487-D505 PolarHBondContact NH1-OD2 2.86Å; D505-Y532 HydrophobicContact CB-CE1 4.41Å; D505-Y532 WeakPolarHBondContact OD1-CE1 3.47Å; D505-Y532 PolarHBondContact OD1-OH 3.4Å; D505-Y532 PolarHBondContact OD2-OH 3.49Å; D505-H611 WeakPolarHBondContact O-CA 2.88Å; D505-A612 HydrophobicContact CB-CB 3.92Å; D505-A612 PolarHBondContact O-N 3.34Å; D505-L616 HydrophobicContact CB-CD2 4.16Å
506V98.9Very high92.3Very high0 Ų023.3 Ų23.30%014%0.137CC..EExtended strand (participates in β ladder)trans-125.1136.9-167.3171.40000110.6F126 Y456 I457 A458 F504 M609 L610 M644 L646F126-V506 HydrophobicContact CD1-CB 4.34Å; F126-V506 HydrophobicContact CD1-CG1 4.09Å; F126-V506 HydrophobicContact CD1-CG2 4.17Å; F126-V506 HydrophobicContact CD2-CG2 4.43Å; F126-V506 HydrophobicContact CE1-CB 4.28Å; F126-V506 HydrophobicContact CE1-CG2 3.87Å; F126-V506 HydrophobicContact CE2-CG2 4.17Å; F126-V506 HydrophobicContact CG-CG1 4.34Å; F126-V506 HydrophobicContact CG-CG2 4.45Å; F126-V506 HydrophobicContact CZ-CG2 3.88Å; Y456-V506 PolarHBondContact O-N 2.73Å; I457-V506 CarbonylContact C-O 3.52Å; I457-V506 VanDerWaalsContact CA-O 3.29Å; I457-V506 WeakPolarHBondContact CA-O 3.44Å; A458-V506 PolarHBondContact N-O 3.29Å; F504-V506 HydrophobicContact CD2-CG2 4.24Å; V506-M609 HydrophobicContact CG1-SD 3.81Å; V506-L610 VanDerWaalsContact CA-O 3.31Å; V506-L610 WeakPolarHBondContact CA-O 3.5Å; V506-L610 WeakPolarHBondContact CG1-O 3.32Å; V506-M644 HydrophobicContact CG1-CE 4.33Å; V506-M644 HydrophobicContact CG2-CE 4.2Å; V506-L646 HydrophobicContact CG2-CD1 3.84Å
507V98.9Very high93.9Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-124.5130.1174.8-179.20000108.9A458 L479 L483 F511 Y532 L610A458-V507 HydrophobicContact CB-CG2 4.27Å; A458-V507 CarbonylContact O-C 3.52Å; A458-V507 WeakPolarHBondContact O-CA 3.4Å; L479-V507 HydrophobicContact CD2-CG1 4.2Å; L483-V507 HydrophobicContact CD1-CG2 3.79Å; L483-V507 HydrophobicContact CD2-CG2 3.89Å; V507-F511 HydrophobicContact CG1-CZ 4.07Å; V507-Y532 HydrophobicContact CB-CD1 4.2Å; V507-Y532 HydrophobicContact CB-CE1 4.48Å; V507-Y532 HydrophobicContact CG2-CD1 3.52Å; V507-Y532 HydrophobicContact CG2-CD2 4.31Å; V507-Y532 HydrophobicContact CG2-CE1 3.38Å; V507-Y532 HydrophobicContact CG2-CE2 4.21Å; V507-Y532 HydrophobicContact CG2-CG 3.98Å; V507-L610 HydrophobicContact CB-CB 4.35Å; V507-L610 HydrophobicContact CB-CD1 4.4Å; V507-L610 HydrophobicContact CG1-CD1 4.5Å; V507-L610 PolarHBondContact N-O 3.26Å; V507-L610 WeakPolarHBondContact O-CA 3.46Å; V507-L610 WeakPolarHBondContact O-CB 3.13Å; V507-L610 PolarHBondContact O-N 2.91Å
508C98.9Very high95.2Very high1 Ų120.2 Ų20.21%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-147.6172.3-179.867.30000113.5T128 A458 C459 T460 Y608 M609T128-C508 HydrophobicContact CG2-CB 4.24Å; A458-C508 PolarHBondContact O-N 3.37Å; C459-C508 VanDerWaalsContact CA-O 3.24Å; C459-C508 WeakPolarHBondContact CA-O 3.4Å; T460-C508 PolarHBondContact N-O 3.26Å; C508-Y608 CarbonylContact C-O 3.49Å; C508-Y608 WeakPolarHBondContact CA-O 3.18Å; C508-Y608 WeakPolarHBondContact CB-O 3.33Å; C508-M609 HydrophobicContact CB-CE 3.71Å; C508-M609 HydrophobicContact CB-SD 3.65Å
509G98.6Very high96.2Very high0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans135.4-168.7171.900000113.5T460 D607 Y608T460-G509 WeakPolarHBondContact O-CA 3.1Å; G509-D607 WeakPolarHBondContact O-CA 3.45Å; G509-Y608 PolarHBondContact N-O 2.87Å; G509-Y608 PolarHBondContact O-N 3.31Å
510D98.6Very high96.7Very high0 Ų014.9 Ų14.90%09%0.089CC..EExtended strand (participates in β ladder)trans-91.6110.3177.9-174.6-9.3000109.4N130 Q363 T460 H461 L462 N512 H639N130-D510 PolarHBondContact ND2-OD2 2.92Å; Q363-D510 HydrophobicContact CG-CB 4.18Å; T460-D510 PolarHBondContact O-N 2.79Å; H461-D510 WeakPolarHBondContact CA-O 3.45Å; H461-D510 IonicContact NE2-OD2 3.88Å; L462-D510 PolarHBondContact N-O 3.37Å; D510-N512 PolarHBondContact OD1-N 2.97Å; D510-H639 IonicContact OD2-CE1 2.75Å; D510-H639 PolarHBondContact OD2-CE1 3.47Å; D510-H639 IonicContact OD2-ND1 3.28Å; D510-H639 IonicContact OD2-NE2 2.66Å
511F98.5Very high96.9Very high0 Ų018.8 Ų18.80%011%0.106CC..  trans-95.6-9-175.4-75.628.4000111.9T460 L462 R472 L476 L479 V507 F513 L528 I606 Y608 L610T460-F511 HydrophobicContact CG2-CD1 3.8Å; T460-F511 HydrophobicContact CG2-CE1 3.31Å; T460-F511 HydrophobicContact CG2-CZ 4.04Å; L462-F511 WeakPolarHBondContact CB-O 3.48Å; L462-F511 HydrophobicContact CD1-CB 3.86Å; L462-F511 HydrophobicContact CD1-CD1 4.41Å; L462-F511 HydrophobicContact CD1-CD2 4.18Å; L462-F511 HydrophobicContact CD1-CG 3.89Å; L462-F511 HydrophobicContact CG-CB 4.4Å; L462-F511 HydrophobicContact CG-CG 4.42Å; R472-F511 WeakPolarHBondContact CD-O 3.33Å; L476-F511 HydrophobicContact CD2-CD2 4.21Å; L476-F511 HydrophobicContact CD2-CE2 4.1Å; L479-F511 HydrophobicContact CD2-CZ 4.46Å; V507-F511 HydrophobicContact CG1-CZ 4.07Å; F511-F513 HydrophobicContact CB-CD1 3.8Å; F511-F513 HydrophobicContact CB-CE1 3.61Å; F511-F513 HydrophobicContact CB-CZ 4.32Å; F511-F513 AromaticContact CD2-CE1 3.6Å; F511-F513 HydrophobicContact CD2-CE1 3.6Å; F511-F513 AromaticContact CD2-CZ 3.78Å; F511-F513 HydrophobicContact CD2-CZ 3.78Å; F511-F513 HydrophobicContact CG-CE1 4.08Å; F511-F513 VanDerWaalsContact O-CD1 3.28Å; F511-F513 WeakPolarHBondContact O-CD1 3.44Å; F511-F513 PolarHBondContact O-N 3.31Å; F511-L528 HydrophobicContact CE2-CD2 4Å; F511-L528 HydrophobicContact CZ-CD2 4.44Å; F511-I606 PolarHBondContact N-O 2.95Å; F511-Y608 HydrophobicContact CB-CD2 3.57Å; F511-Y608 HydrophobicContact CB-CE2 3.72Å; F511-Y608 HydrophobicContact CD1-CD2 4.19Å; F511-Y608 AromaticContact CD2-CD2 3.7Å; F511-Y608 HydrophobicContact CD2-CD2 3.7Å; F511-Y608 HydrophobicContact CD2-CE2 4.18Å; F511-Y608 HydrophobicContact CD2-CG 4.06Å; F511-Y608 HydrophobicContact CE2-CD2 4.46Å; F511-Y608 HydrophobicContact CE2-CG 4.4Å; F511-Y608 AromaticContact CG-CD2 3.56Å; F511-Y608 HydrophobicContact CG-CD2 3.56Å; F511-Y608 HydrophobicContact CG-CE2 4.14Å; F511-Y608 HydrophobicContact CG-CG 4.25Å; F511-L610 HydrophobicContact CE2-CD1 4.22Å; F511-L610 HydrophobicContact CZ-CD1 4.28Å
512N97.4Very high97.2Very high20 Ų2021.6 Ų21.611%0.10712%0.121CC..SBendtrans56.913.8179.6-78.2-59.5000116.3H461 L462 H463 D510H461-N512 PolarHBondContact CD2-ND2 3.26Å; H461-N512 PolarHBondContact NE2-ND2 3.16Å; L462-N512 PolarHBondContact O-ND2 3.3Å; H463-N512 WeakPolarHBondContact O-CB 3.4Å; D510-N512 PolarHBondContact OD1-N 2.97Å
513F98.2Very high97.3Very high0 Ų021.1 Ų21.10%012%0.118CC..  trans-132.5144.4171.973.7-98.6000110.5L462 L476 F511 D520 E523 F529 Y608L462-F513 HydrophobicContact CD1-CD1 4.46Å; L462-F513 HydrophobicContact CD1-CE1 4.15Å; L476-F513 HydrophobicContact CD1-CE1 3.81Å; L476-F513 HydrophobicContact CD1-CZ 4.12Å; L476-F513 HydrophobicContact CD2-CE1 4.26Å; L476-F513 HydrophobicContact CG-CE1 4.49Å; F511-F513 HydrophobicContact CB-CD1 3.8Å; F511-F513 HydrophobicContact CB-CE1 3.61Å; F511-F513 HydrophobicContact CB-CZ 4.32Å; F511-F513 AromaticContact CD2-CE1 3.6Å; F511-F513 HydrophobicContact CD2-CE1 3.6Å; F511-F513 AromaticContact CD2-CZ 3.78Å; F511-F513 HydrophobicContact CD2-CZ 3.78Å; F511-F513 HydrophobicContact CG-CE1 4.08Å; F511-F513 VanDerWaalsContact O-CD1 3.28Å; F511-F513 WeakPolarHBondContact O-CD1 3.44Å; F511-F513 PolarHBondContact O-N 3.31Å; F513-D520 WeakPolarHBondContact CA-OD2 3.46Å; F513-D520 HydrophobicContact CB-CB 3.91Å; F513-E523 HydrophobicContact CB-CB 4.17Å; F513-E523 HydrophobicContact CB-CG 4.21Å; F513-E523 HydrophobicContact CD1-CB 3.65Å; F513-E523 HydrophobicContact CD1-CG 3.91Å; F513-E523 HydrophobicContact CD2-CB 3.48Å; F513-E523 VanDerWaalsContact CD2-CB 3.48Å; F513-E523 HydrophobicContact CD2-CG 4.41Å; F513-E523 HydrophobicContact CE1-CB 3.79Å; F513-E523 HydrophobicContact CE1-CG 4.35Å; F513-E523 HydrophobicContact CE2-CB 3.65Å; F513-E523 HydrophobicContact CG-CB 3.49Å; F513-E523 VanDerWaalsContact CG-CB 3.49Å; F513-E523 HydrophobicContact CG-CG 3.93Å; F513-E523 HydrophobicContact CZ-CB 3.79Å; F513-F529 AromaticContact CE2-CE2 3.94Å; F513-F529 HydrophobicContact CE2-CE2 3.94Å; F513-F529 AromaticContact CE2-CZ 3.87Å; F513-F529 HydrophobicContact CE2-CZ 3.87Å; F513-F529 AromaticContact CZ-CE2 3.73Å; F513-F529 HydrophobicContact CZ-CE2 3.73Å; F513-F529 AromaticContact CZ-CZ 3.65Å; F513-F529 HydrophobicContact CZ-CZ 3.65Å; F513-Y608 HydrophobicContact CE2-CE2 4.29Å; F513-Y608 AromaticContact CE2-CZ 3.91Å; F513-Y608 WeakPolarHBondContact CE2-OH 3.5Å; F513-Y608 HydrophobicContact CZ-CE2 4.43Å; F513-Y608 VanDerWaalsContact O-CE2 3.27Å; F513-Y608 WeakPolarHBondContact O-CE2 3.36Å; F513-Y608 PolarHBondContact O-OH 3.17Å
514D97.9Very high97.4Very high0 Ų021.4 Ų21.40%012%0.119CC..  trans-96.7169.2-179.367.950.8000112.9C516 S517 D520 Q524 R604 R605 I606D514-C516 PolarHBondContact OD1-N 3.26Å; D514-S517 WeakPolarHBondContact OD1-CA 3.41Å; D514-S517 WeakPolarHBondContact OD1-CB 3.13Å; D514-S517 PolarHBondContact OD1-N 3.04Å; D514-S517 PolarHBondContact OD1-OG 3.35Å; D514-S517 WeakPolarHBondContact OD2-CB 3.25Å; D514-S517 PolarHBondContact OD2-OG 2.86Å; D514-D520 VanDerWaalsContact CG-OD2 3.26Å; D514-D520 PolarHBondContact N-OD2 2.83Å; D514-D520 WeakPolarHBondContact O-CB 3.29Å; D514-Q524 VanDerWaalsContact O-CG 3.26Å; D514-Q524 WeakPolarHBondContact O-CG 3.15Å; D514-Q524 PolarHBondContact O-NE2 3.21Å; D514-R604 HydrophobicContact CB-CB 4Å; D514-R604 HydrophobicContact CB-CG 4.31Å; D514-R604 WeakPolarHBondContact OD2-CG 3.47Å; D514-R604 IonicContact OD2-CZ 3.5Å; D514-R604 IonicContact OD2-NE 3.34Å; D514-R604 PolarHBondContact OD2-NE 3.24Å; D514-R604 IonicContact OD2-NH2 2.89Å; D514-R605 WeakPolarHBondContact CA-O 3.37Å; D514-I606 HydrophobicContact CB-CG2 4.12Å
515N98.3Very high97.4Very high0 Ų027.7 Ų27.70%015%0.148CC..SBendtrans-107.231.6174.8-170.656000112.5R537 G539 G541 E542 E543N515-R537 PolarHBondContact OD1-NH1 3.47Å; N515-G539 PolarHBondContact ND2-O 2.94Å; N515-G539 PolarHBondContact OD1-O 2.87Å; N515-G541 CarbonylContact O-C 3.54Å; N515-G541 WeakPolarHBondContact O-CA 3.39Å; N515-G541 PolarHBondContact OD1-N 2.9Å; N515-E542 PolarHBondContact ND2-O 3.3Å; N515-E542 PolarHBondContact O-N 3.07Å; N515-E543 PolarHBondContact ND2-OE2 3.47Å
516C95.2Very high97.4Very high48 Ų4827.9 Ų27.932%0.32415%0.149SC..SBendtrans-139.3-22.4-178.168.10000115.3D514 E543D514-C516 PolarHBondContact OD1-N 3.26Å; C516-E543 HydrophobicContact CB-CG 4.47Å
517S94.6Very high97.4Very high10 Ų1030 Ų307%0.0716%0.164CC..  trans-89.7154.6-178.477.40000111.9D514 D519 D520 Q524D514-S517 WeakPolarHBondContact OD1-CA 3.41Å; D514-S517 WeakPolarHBondContact OD1-CB 3.13Å; D514-S517 PolarHBondContact OD1-N 3.04Å; D514-S517 PolarHBondContact OD1-OG 3.35Å; D514-S517 WeakPolarHBondContact OD2-CB 3.25Å; D514-S517 PolarHBondContact OD2-OG 2.86Å; S517-D519 VanDerWaalsContact C-N 3.28Å; S517-D520 PolarHBondContact OG-N 3.28Å; S517-D520 PolarHBondContact OG-OD2 3.37Å; S517-Q524 PolarHBondContact O-NE2 2.88Å
518S93.1Very high97.3Very high83 Ų8330 Ų3058%0.5816%0.164SC*.SBendtrans-75.8-18.5174.457.80000113.7K521S518-K521 WeakPolarHBondContact O-CB 3.14Å; S518-K521 WeakPolarHBondContact O-CG 3.35Å
519D92.5Very high97.3Very high63 Ų6330.6 Ų30.634%0.33717%0.166SC..THydrogen-bonded Turntrans-76.2-33.3-175.7-61.3-35.9000110.3S469 S517 K521 K588S469-D519 PolarHBondContact OG-O 3.29Å; S517-D519 VanDerWaalsContact C-N 3.28Å; D519-K521 VanDerWaalsContact C-N 3.32Å; D519-K521 PolarHBondContact O-N 3.42Å; D519-K588 WeakPolarHBondContact OD1-CE 3.46Å; D519-K588 IonicContact OD1-NZ 2.75Å; D519-K588 PolarHBondContact OD1-NZ 3.18Å; D519-K588 IonicContact OD2-NZ 2.65Å
520D96.6Very high97.2Very high2 Ų234.7 Ų34.71%0.01119%0.191CC..THydrogen-bonded Turntrans-90.914.4179.6-66.8-25.9000113.7R472 F513 D514 S517 L522 E523 Q524 R604R472-D520 IonicContact NH2-OD1 3.94Å; R472-D520 PolarHBondContact NH2-OD1 2.79Å; F513-D520 WeakPolarHBondContact CA-OD2 3.46Å; F513-D520 HydrophobicContact CB-CB 3.91Å; D514-D520 VanDerWaalsContact CG-OD2 3.26Å; D514-D520 PolarHBondContact N-OD2 2.83Å; D514-D520 WeakPolarHBondContact O-CB 3.29Å; S517-D520 PolarHBondContact OG-N 3.28Å; S517-D520 PolarHBondContact OG-OD2 3.37Å; D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.17Å; D520-L522 VanDerWaalsContact O-N 3.16Å; D520-E523 VanDerWaalsContact C-OE2 3.31Å; D520-E523 PolarHBondContact O-N 3.09Å; D520-Q524 WeakPolarHBondContact O-CB 3.25Å; D520-Q524 WeakPolarHBondContact O-CG 3.14Å; D520-Q524 PolarHBondContact O-N 2.83Å; D520-R604 IonicContact OD2-NH2 3.65Å; D520-R604 PolarHBondContact OD2-NH2 2.8Å; D520-R604 VanDerWaalsContact OD2-NH2 3.11Å
521K97Very high97.2Very high116 Ų11638.4 Ų38.450%0.50421%0.208SC..Hα-helixtrans-61-28.6-171.270.8179.6-178.8178.40114.8S518 D519 Q525S518-K521 WeakPolarHBondContact O-CB 3.14Å; S518-K521 WeakPolarHBondContact O-CG 3.35Å; D519-K521 VanDerWaalsContact C-N 3.32Å; D519-K521 PolarHBondContact O-N 3.42Å; K521-Q525 WeakPolarHBondContact O-CG 3.19Å; K521-Q525 PolarHBondContact O-N 3.28Å
522L97.9Very high97.2Very high87 Ų8739.4 Ų39.446%0.45521%0.212SC..Hα-helixtrans-75.6-46-175.9-65.3178.4000109.6D520 Q524 Q525 H526D520-L522 VanDerWaalsContact C-N 3.26Å; D520-L522 PolarHBondContact O-N 3.17Å; D520-L522 VanDerWaalsContact O-N 3.16Å; L522-Q524 VanDerWaalsContact C-N 3.32Å; L522-Q524 PolarHBondContact O-N 3.06Å; L522-Q525 PolarHBondContact O-N 3.25Å; L522-Q525 VanDerWaalsContact O-N 3.11Å; L522-H526 PolarHBondContact O-N 2.85Å
523E98.5Very high97.2Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-62.3-42.2174.7-56.593.6131.400110.6S469 R472 L476 F513 D520 Q525 H526 F529S469-E523 WeakPolarHBondContact CA-OE1 3.19Å; S469-E523 VanDerWaalsContact CB-OE1 3.25Å; S469-E523 WeakPolarHBondContact CB-OE1 3.15Å; S469-E523 WeakPolarHBondContact CB-OE2 3.34Å; S469-E523 PolarHBondContact OG-OE1 2.74Å; R472-E523 HydrophobicContact CB-CG 3.81Å; R472-E523 IonicContact CZ-OE1 2.74Å; R472-E523 IonicContact NE-OE1 3.32Å; R472-E523 PolarHBondContact NE-OE1 3.24Å; R472-E523 IonicContact NH2-OE1 3.75Å; R472-E523 PolarHBondContact NH2-OE1 3.3Å; L476-E523 HydrophobicContact CD1-CB 4.16Å; L476-E523 HydrophobicContact CD1-CG 4.45Å; F513-E523 HydrophobicContact CB-CB 4.17Å; F513-E523 HydrophobicContact CB-CG 4.21Å; F513-E523 HydrophobicContact CD1-CB 3.65Å; F513-E523 HydrophobicContact CD1-CG 3.91Å; F513-E523 HydrophobicContact CD2-CB 3.48Å; F513-E523 VanDerWaalsContact CD2-CB 3.48Å; F513-E523 HydrophobicContact CD2-CG 4.41Å; F513-E523 HydrophobicContact CE1-CB 3.79Å; F513-E523 HydrophobicContact CE1-CG 4.35Å; F513-E523 HydrophobicContact CE2-CB 3.65Å; F513-E523 HydrophobicContact CG-CB 3.49Å; F513-E523 VanDerWaalsContact CG-CB 3.49Å; F513-E523 HydrophobicContact CG-CG 3.93Å; F513-E523 HydrophobicContact CZ-CB 3.79Å; D520-E523 VanDerWaalsContact C-OE2 3.31Å; D520-E523 PolarHBondContact O-N 3.09Å; E523-Q525 PolarHBondContact O-N 2.82Å; E523-Q525 VanDerWaalsContact O-N 3.16Å; E523-H526 WeakPolarHBondContact O-CB 3.4Å; E523-H526 PolarHBondContact O-N 2.62Å; E523-F529 WeakPolarHBondContact O-CE2 3.27Å
524Q98.5Very high97.3Very high7 Ų743.9 Ų43.93%0.03323%0.229CC..Hα-helixtrans-57-29.9174.8-71.7162.715.400112.7D514 S517 D520 L522 R537 P540 G541D514-Q524 VanDerWaalsContact O-CG 3.26Å; D514-Q524 WeakPolarHBondContact O-CG 3.15Å; D514-Q524 PolarHBondContact O-NE2 3.21Å; S517-Q524 PolarHBondContact O-NE2 2.88Å; D520-Q524 WeakPolarHBondContact O-CB 3.25Å; D520-Q524 WeakPolarHBondContact O-CG 3.14Å; D520-Q524 PolarHBondContact O-N 2.83Å; L522-Q524 VanDerWaalsContact C-N 3.32Å; L522-Q524 PolarHBondContact O-N 3.06Å; Q524-R537 PolarHBondContact O-NH1 3.21Å; Q524-R537 PolarHBondContact O-NH2 2.87Å; Q524-P540 HydrophobicContact CB-CB 4.22Å; Q524-G541 VanDerWaalsContact OE1-CA 3.27Å
525Q98.4Very high97.3Very high132 Ų13244.3 Ų44.362%0.61723%0.231SC*.THydrogen-bonded Turntrans-94.12.8-178.7-70.1176.3-8.400113.4K521 L522 E523 P540K521-Q525 WeakPolarHBondContact O-CG 3.19Å; K521-Q525 PolarHBondContact O-N 3.28Å; L522-Q525 PolarHBondContact O-N 3.25Å; L522-Q525 VanDerWaalsContact O-N 3.11Å; E523-Q525 PolarHBondContact O-N 2.82Å; E523-Q525 VanDerWaalsContact O-N 3.16Å; Q525-P540 HydrophobicContact CG-CB 3.74Å; Q525-P540 HydrophobicContact CG-CG 4.18Å
526H98.7Very high97.3Very high16 Ų1644.3 Ų44.37%0.07423%0.231CC..  trans-62.8143.9-174.9-167.7-89.3000113L476 D477 L522 E523 L528 F529L476-H526 VanDerWaalsContact C-CE1 3.43Å; L476-H526 VanDerWaalsContact CB-CE1 3.41Å; L476-H526 WeakPolarHBondContact CB-CE1 3.37Å; L476-H526 WeakPolarHBondContact CB-NE2 3.01Å; L476-H526 HydrophobicContact CD1-CB 3.91Å; L476-H526 PolarHBondContact O-CE1 2.89Å; D477-H526 PolarHBondContact N-NE2 2.76Å; D477-H526 IonicContact OD1-NE2 2.99Å; D477-H526 PolarHBondContact OD1-NE2 2.9Å; D477-H526 VanDerWaalsContact OD1-NE2 3.12Å; L522-H526 PolarHBondContact O-N 2.85Å; E523-H526 WeakPolarHBondContact O-CB 3.4Å; E523-H526 PolarHBondContact O-N 2.62Å; H526-L528 VanDerWaalsContact ND1-CB 3.28Å; H526-L528 WeakPolarHBondContact ND1-CB 3.22Å; H526-L528 PolarHBondContact ND1-N 3.12Å; H526-L528 PolarHBondContact O-N 2.83Å; H526-L528 VanDerWaalsContact O-N 3.17Å; H526-F529 PolarHBondContact O-N 3.27Å
527S98.2Very high97.4Very high45 Ų4543.9 Ų43.932%0.31522%0.223SC..THydrogen-bonded Turntrans-58.2-28.4-178.147.40000113.7Q480 F529 T530 H531Q480-S527 PolarHBondContact OE1-OG 2.79Å; S527-F529 PolarHBondContact O-N 3.3Å; S527-F529 VanDerWaalsContact O-N 3.15Å; S527-T530 WeakPolarHBondContact O-CA 3.29Å; S527-T530 WeakPolarHBondContact O-CB 3.45Å; S527-T530 PolarHBondContact O-N 2.83Å; S527-T530 PolarHBondContact O-OG1 3.29Å; S527-H531 PolarHBondContact O-CD2 2.91Å
528L98.6Very high97.5Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-46.7-44.5176.3-175.574.4000111.9L476 L479 L483 F511 H526 T530 H531 Y532 L610L476-L528 HydrophobicContact CD2-CD2 3.77Å; L479-L528 HydrophobicContact CD2-CD2 4.04Å; L483-L528 HydrophobicContact CD1-CD1 3.95Å; F511-L528 HydrophobicContact CE2-CD2 4Å; F511-L528 HydrophobicContact CZ-CD2 4.44Å; H526-L528 VanDerWaalsContact ND1-CB 3.28Å; H526-L528 WeakPolarHBondContact ND1-CB 3.22Å; H526-L528 PolarHBondContact ND1-N 3.12Å; H526-L528 PolarHBondContact O-N 2.83Å; H526-L528 VanDerWaalsContact O-N 3.17Å; L528-T530 PolarHBondContact O-N 3.11Å; L528-H531 PolarHBondContact O-N 3.18Å; L528-H531 VanDerWaalsContact O-N 3.12Å; L528-Y532 HydrophobicContact CD1-CD2 3.76Å; L528-Y532 HydrophobicContact CD1-CE2 4.32Å; L528-Y532 HydrophobicContact CG-CD2 4.46Å; L528-Y532 PolarHBondContact O-N 2.96Å; L528-L610 HydrophobicContact CD2-CD1 4.25Å
529F98.4Very high97.7Very high13 Ų1345.4 Ų45.46%0.05723%0.226CC..Hα-helixtrans-69.7-10.4-179.2-66-69.9000114.5F513 E523 H526 S527 Y532 D534 Y608 L610F513-F529 AromaticContact CE2-CE2 3.94Å; F513-F529 HydrophobicContact CE2-CE2 3.94Å; F513-F529 AromaticContact CE2-CZ 3.87Å; F513-F529 HydrophobicContact CE2-CZ 3.87Å; F513-F529 AromaticContact CZ-CE2 3.73Å; F513-F529 HydrophobicContact CZ-CE2 3.73Å; F513-F529 AromaticContact CZ-CZ 3.65Å; F513-F529 HydrophobicContact CZ-CZ 3.65Å; E523-F529 WeakPolarHBondContact O-CE2 3.27Å; H526-F529 PolarHBondContact O-N 3.27Å; S527-F529 PolarHBondContact O-N 3.3Å; S527-F529 VanDerWaalsContact O-N 3.15Å; F529-Y532 CarbonylContact C-O 3.57Å; F529-Y532 WeakPolarHBondContact CA-O 3.36Å; F529-D534 HydrophobicContact CD1-CB 4.27Å; F529-D534 HydrophobicContact CE1-CB 4.43Å; F529-Y608 AromaticContact CE1-CD1 3.97Å; F529-Y608 HydrophobicContact CE1-CD1 3.97Å; F529-Y608 AromaticContact CE1-CE1 3.97Å; F529-Y608 HydrophobicContact CE1-CE1 3.97Å; F529-Y608 HydrophobicContact CZ-CD1 4.24Å; F529-Y608 AromaticContact CZ-CE1 3.93Å; F529-Y608 HydrophobicContact CZ-CE1 3.93Å; F529-L610 HydrophobicContact CD1-CD1 4.41Å; F529-L610 HydrophobicContact CD1-CD2 4.35Å; F529-L610 HydrophobicContact CE1-CD1 4.16Å; F529-L610 HydrophobicContact CE1-CD2 4.06Å
530T97.1Very high98Very high86 Ų8645.5 Ų45.553%0.52823%0.23SC..Hα-helixtrans-79.1-37.1172.3-54.70000110.9S527 L528 R533S527-T530 WeakPolarHBondContact O-CA 3.29Å; S527-T530 WeakPolarHBondContact O-CB 3.45Å; S527-T530 PolarHBondContact O-N 2.83Å; S527-T530 PolarHBondContact O-OG1 3.29Å; L528-T530 PolarHBondContact O-N 3.11Å; T530-R533 PolarHBondContact O-NH1 3.02Å
531H97.5Very high98Very high79 Ų7946.7 Ų46.737%0.36624%0.242SC..Hα-helixtrans-92.9-32.8-178.5-58-77.9000112.8Q480 S527 L528 A612Q480-H531 PolarHBondContact NE2-CD2 3.49Å; Q480-H531 PolarHBondContact NE2-NE2 3.36Å; S527-H531 PolarHBondContact O-CD2 2.91Å; L528-H531 PolarHBondContact O-N 3.18Å; L528-H531 VanDerWaalsContact O-N 3.12Å; H531-A612 WeakPolarHBondContact O-CA 3.47Å
532Y98.6Very high98.1Very high20 Ų2047 Ų478%0.07825%0.246CC..EExtended strand (participates in β ladder)trans-115.2107.5178.4-70.8-87.4000109.2L483 D505 V507 L528 F529 H611 A612L483-Y532 HydrophobicContact CD1-CD2 4.36Å; L483-Y532 HydrophobicContact CD1-CE2 3.64Å; D505-Y532 HydrophobicContact CB-CE1 4.41Å; D505-Y532 WeakPolarHBondContact OD1-CE1 3.47Å; D505-Y532 PolarHBondContact OD1-OH 3.4Å; D505-Y532 PolarHBondContact OD2-OH 3.49Å; V507-Y532 HydrophobicContact CB-CD1 4.2Å; V507-Y532 HydrophobicContact CB-CE1 4.48Å; V507-Y532 HydrophobicContact CG2-CD1 3.52Å; V507-Y532 HydrophobicContact CG2-CD2 4.31Å; V507-Y532 HydrophobicContact CG2-CE1 3.38Å; V507-Y532 HydrophobicContact CG2-CE2 4.21Å; V507-Y532 HydrophobicContact CG2-CG 3.98Å; L528-Y532 HydrophobicContact CD1-CD2 3.76Å; L528-Y532 HydrophobicContact CD1-CE2 4.32Å; L528-Y532 HydrophobicContact CG-CD2 4.46Å; L528-Y532 PolarHBondContact O-N 2.96Å; F529-Y532 CarbonylContact C-O 3.57Å; F529-Y532 WeakPolarHBondContact CA-O 3.36Å; Y532-H611 CarbonylContact C-O 3.59Å; Y532-H611 WeakPolarHBondContact CA-O 3.45Å; Y532-A612 HydrophobicContact CD1-CB 4.01Å; Y532-A612 HydrophobicContact CE1-CB 3.85Å
533R98.3Very high98.1Very high101 Ų10144.9 Ų44.938%0.38123%0.233SC..EExtended strand (participates in β ladder)trans-71.5136.1-177.8-60.9-57.1-173.6-163.1-5.3110.8T530 L610 H611 E613T530-R533 PolarHBondContact O-NH1 3.02Å; R533-L610 VanDerWaalsContact O-CA 3.25Å; R533-L610 WeakPolarHBondContact O-CA 3.42Å; R533-H611 PolarHBondContact N-O 3.24Å; R533-H611 PolarHBondContact O-N 3.33Å; R533-H611 VanDerWaalsContact O-N 3.08Å; R533-E613 HydrophobicContact CG-CG 3.93Å; R533-E613 IonicContact CZ-OE2 3.12Å; R533-E613 IonicContact NE-OE2 3.83Å; R533-E613 PolarHBondContact NE-OE2 2.93Å; R533-E613 IonicContact NH2-OE2 2.88Å
534D98.6Very high98Very high14 Ų1446.2 Ų46.28%0.07524%0.239CC..  trans-98112.7169.4-177.9-12.6000109.1F529 C536 R537 R605 Y608 L610F529-D534 HydrophobicContact CD1-CB 4.27Å; F529-D534 HydrophobicContact CE1-CB 4.43Å; D534-C536 PolarHBondContact O-N 3.26Å; D534-C536 VanDerWaalsContact O-N 3.16Å; D534-C536 WeakPolarHBondContact OD1-CB 3.29Å; D534-C536 PolarHBondContact OD1-N 3.4Å; D534-R537 HydrophobicContact CB-CB 3.74Å; D534-R537 PolarHBondContact O-N 3.06Å; D534-R605 IonicContact OD1-CZ 3.98Å; D534-R605 IonicContact OD1-NH1 2.97Å; D534-R605 PolarHBondContact OD1-NH1 3.37Å; D534-R605 IonicContact OD1-NH2 3.17Å; D534-R605 IonicContact OD2-CZ 3.79Å; D534-R605 VanDerWaalsContact OD2-CZ 3.23Å; D534-R605 IonicContact OD2-NH1 3.25Å; D534-R605 PolarHBondContact OD2-NH1 3.06Å; D534-R605 IonicContact OD2-NH2 2.76Å; D534-R605 PolarHBondContact OD2-NH2 3Å; D534-Y608 WeakPolarHBondContact OD2-CD1 3.3Å; D534-Y608 WeakPolarHBondContact OD2-CE1 3.45Å; D534-L610 HydrophobicContact CB-CD2 3.55Å
535P98.3Very high97.9Very high8 Ų851.1 Ų51.15%0.05227%0.272CS..THydrogen-bonded Turntrans-61.1-23.3-179.3-24.735.7000114.4F345 K544 W546 M609 V624 F627 M644F345-P535 HydrophobicContact CE1-CB 4.39Å; F345-P535 HydrophobicContact CE2-CB 4.41Å; F345-P535 HydrophobicContact CZ-CB 3.76Å; P535-K544 WeakPolarHBondContact O-CD 3.04Å; P535-K544 WeakPolarHBondContact O-CE 3.46Å; P535-K544 PolarHBondContact O-NZ 3.28Å; P535-K544 VanDerWaalsContact O-NZ 3.17Å; P535-W546 WeakPolarHBondContact O-CZ2 3.41Å; P535-M609 WeakPolarHBondContact CD-O 3.43Å; P535-V624 HydrophobicContact CB-CG2 4.46Å; P535-V624 HydrophobicContact CG-CG2 3.99Å; P535-F627 HydrophobicContact CB-CD2 3.73Å; P535-F627 HydrophobicContact CB-CE2 3.99Å; P535-F627 HydrophobicContact CG-CD2 3.82Å; P535-F627 HydrophobicContact CG-CE2 3.85Å; P535-M644 HydrophobicContact CG-SD 3.86Å
536C98.3Very high97.7Very high0 Ų046.7 Ų46.70%025%0.249CC..THydrogen-bonded Turntrans-85.2-6.9-178.6-670000114D534 K544 W546 A547 F627D534-C536 PolarHBondContact O-N 3.26Å; D534-C536 VanDerWaalsContact O-N 3.16Å; D534-C536 WeakPolarHBondContact OD1-CB 3.29Å; D534-C536 PolarHBondContact OD1-N 3.4Å; C536-K544 WeakPolarHBondContact O-CB 3.25Å; C536-K544 PolarHBondContact O-N 3.22Å; C536-W546 HydrophobicContact CB-CH2 4.28Å; C536-W546 WeakPolarHBondContact SG-CH2 3.43Å; C536-A547 HydrophobicContact CB-CB 3.81Å; C536-F627 WeakPolarHBondContact SG-CE1 3.28Å; C536-F627 WeakPolarHBondContact SG-CZ 3.33Å
537R97.9Very high97.7Very high40 Ų4046 Ų4615%0.15125%0.247CC..EExtended strand (participates in β ladder)trans-105.3136.7-165.5179.1171.1163.6128.6-15112.6N515 Q524 D534 G539 P540N515-R537 PolarHBondContact OD1-NH1 3.47Å; Q524-R537 PolarHBondContact O-NH1 3.21Å; Q524-R537 PolarHBondContact O-NH2 2.87Å; D534-R537 HydrophobicContact CB-CB 3.74Å; D534-R537 PolarHBondContact O-N 3.06Å; R537-G539 WeakPolarHBondContact CG-O 3.47Å; R537-G539 PolarHBondContact NE-O 3.22Å; R537-P540 VanDerWaalsContact CZ-CA 3.47Å; R537-P540 VanDerWaalsContact NH2-CA 3.34Å; R537-P540 VanDerWaalsContact NH2-CG 3.29Å
538L97.3Very high97.7Very high115 Ų11544.1 Ų44.160%0.60223%0.233SC*.EExtended strand (participates in β ladder)trans-91.3-42163.9-68.8176000110.9E542 K544L538-E542 HydrophobicContact CB-CB 4.19Å; L538-E542 PolarHBondContact N-O 3.13Å; L538-K544 HydrophobicContact CD2-CG 3.69Å; L538-K544 HydrophobicContact CG-CG 3.69Å
539G97.5Very high97.7Very high10 Ų1044.1 Ų44.110%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-168.8-178.2-178.700000112.3N515 R537 G541 E542N515-G539 PolarHBondContact ND2-O 2.94Å; N515-G539 PolarHBondContact OD1-O 2.87Å; R537-G539 WeakPolarHBondContact CG-O 3.47Å; R537-G539 PolarHBondContact NE-O 3.22Å; G539-G541 PolarHBondContact O-N 3.42Å; G539-E542 PolarHBondContact N-O 2.94Å; G539-E542 PolarHBondContact O-N 3.33Å
540P98.1Very high97.7Very high65 Ų6543.5 Ų43.542%0.42223%0.23SC..THydrogen-bonded Turntrans-59.2116.7174.9-13.523.9000111.4Q524 Q525 R537 E542Q524-P540 HydrophobicContact CB-CB 4.22Å; Q525-P540 HydrophobicContact CG-CB 3.74Å; Q525-P540 HydrophobicContact CG-CG 4.18Å; R537-P540 VanDerWaalsContact CZ-CA 3.47Å; R537-P540 VanDerWaalsContact NH2-CA 3.34Å; R537-P540 VanDerWaalsContact NH2-CG 3.29Å; P540-E542 PolarHBondContact O-N 3.28Å
541G97.1Very high97.8Very high27 Ų2740.8 Ų40.828%0.27821%0.212SC..THydrogen-bonded Turntrans777-178.100000114.2N515 Q524 G539N515-G541 CarbonylContact O-C 3.54Å; N515-G541 WeakPolarHBondContact O-CA 3.39Å; N515-G541 PolarHBondContact OD1-N 2.9Å; Q524-G541 VanDerWaalsContact OE1-CA 3.27Å; G539-G541 PolarHBondContact O-N 3.42Å
542E97.6Very high97.8Very high122 Ų12237.6 Ų37.657%0.5720%0.198SC*.EExtended strand (participates in β ladder)trans-124.3107.1-176.5-65.6-176-175.900110.8N515 L538 G539 P540N515-E542 PolarHBondContact ND2-O 3.3Å; N515-E542 PolarHBondContact O-N 3.07Å; L538-E542 HydrophobicContact CB-CB 4.19Å; L538-E542 PolarHBondContact N-O 3.13Å; G539-E542 PolarHBondContact N-O 2.94Å; G539-E542 PolarHBondContact O-N 3.33Å; P540-E542 PolarHBondContact O-N 3.28Å
543E97.7Very high97.6Very high42 Ų4238.1 Ų38.120%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-84.9148.9176.9-61.5-71.6-144.700111.8N515 C516 A547 R605N515-E543 PolarHBondContact ND2-OE2 3.47Å; C516-E543 HydrophobicContact CB-CG 4.47Å; E543-A547 HydrophobicContact CB-CB 4.31Å; E543-R605 IonicContact OE1-CZ 3.96Å; E543-R605 IonicContact OE1-NE 3.81Å; E543-R605 PolarHBondContact OE1-NE 3.13Å; E543-R605 IonicContact OE1-NH2 3.31Å; E543-R605 PolarHBondContact OE1-NH2 3.28Å; E543-R605 IonicContact OE2-CZ 3.83Å; E543-R605 IonicContact OE2-NE 3.2Å; E543-R605 PolarHBondContact OE2-NE 3.08Å; E543-R605 IonicContact OE2-NH2 3.42Å; E543-R605 PolarHBondContact OE2-NH2 3.27Å
544K97.1Very high97.2Very high28 Ų2835 Ų3512%0.12220%0.195CC..  trans-64.7150.4164.9-75.9173.4164.6-162.10110.5E343 P535 C536 L538 W546 A547E343-K544 VanDerWaalsContact CD-NZ 3.25Å; E343-K544 WeakPolarHBondContact OE1-CD 3.29Å; E343-K544 WeakPolarHBondContact OE1-CE 3.32Å; E343-K544 IonicContact OE1-NZ 2.77Å; E343-K544 PolarHBondContact OE1-NZ 3.09Å; E343-K544 IonicContact OE2-NZ 2.67Å; E343-K544 PolarHBondContact OE2-NZ 2.83Å; P535-K544 WeakPolarHBondContact O-CD 3.04Å; P535-K544 WeakPolarHBondContact O-CE 3.46Å; P535-K544 PolarHBondContact O-NZ 3.28Å; P535-K544 VanDerWaalsContact O-NZ 3.17Å; C536-K544 WeakPolarHBondContact O-CB 3.25Å; C536-K544 PolarHBondContact O-N 3.22Å; L538-K544 HydrophobicContact CD2-CG 3.69Å; L538-K544 HydrophobicContact CG-CG 3.69Å; K544-W546 HydrophobicContact CD-CZ2 3.92Å; K544-W546 PolarHBondContact O-N 3.21Å; K544-A547 WeakPolarHBondContact O-CB 3.39Å; K544-A547 PolarHBondContact O-N 2.83Å
545P95.8Very high96.7Very high111 Ų11139.9 Ų39.972%0.72122%0.22SC*.THydrogen-bonded Turntrans-58.9-28.2-173.3-25.834.6000115.1N602P545-N602 PolarHBondContact O-ND2 2.97Å
546W96.1Very high96.1Very high38 Ų3839.9 Ų39.914%0.14422%0.222CC..THydrogen-bonded Turntrans-89-13.6-179.260.1-99.3000113.7E343 F345 H347 P535 C536 K544 F627 F629E343-W546 PolarHBondContact OE1-NE1 2.99Å; F345-W546 AromaticContact CE2-CH2 3.98Å; F345-W546 HydrophobicContact CE2-CH2 3.98Å; F345-W546 AromaticContact CE2-CZ2 3.76Å; F345-W546 HydrophobicContact CE2-CZ2 3.76Å; F345-W546 HydrophobicContact CZ-CH2 4.27Å; F345-W546 AromaticContact CZ-CZ2 3.78Å; F345-W546 HydrophobicContact CZ-CZ2 3.78Å; H347-W546 HydrophobicContact CB-CD2 3.94Å; H347-W546 HydrophobicContact CB-CE3 3.76Å; H347-W546 HydrophobicContact CB-CH2 4.26Å; H347-W546 HydrophobicContact CB-CZ2 4.41Å; H347-W546 HydrophobicContact CB-CZ3 3.94Å; H347-W546 AromaticContact CD2-CD1 3.76Å; H347-W546 AromaticContact CD2-CD2 3.94Å; H347-W546 AromaticContact CD2-CE2 3.96Å; H347-W546 AromaticContact CD2-CG 3.85Å; H347-W546 AromaticContact CD2-NE1 3.83Å; H347-W546 AromaticContact CE1-CD1 3.98Å; H347-W546 AromaticContact CE1-CG 3.71Å; H347-W546 AromaticContact CG-CD2 3.64Å; H347-W546 AromaticContact CG-CE3 3.93Å; H347-W546 AromaticContact CG-CG 3.78Å; H347-W546 AromaticContact ND1-CD2 3.94Å; H347-W546 AromaticContact ND1-CG 3.68Å; H347-W546 AromaticContact NE2-CD1 3.65Å; H347-W546 AromaticContact NE2-CG 3.82Å; P535-W546 WeakPolarHBondContact O-CZ2 3.41Å; C536-W546 HydrophobicContact CB-CH2 4.28Å; C536-W546 WeakPolarHBondContact SG-CH2 3.43Å; K544-W546 HydrophobicContact CD-CZ2 3.92Å; K544-W546 PolarHBondContact O-N 3.21Å; W546-F627 HydrophobicContact CH2-CB 4.23Å; W546-F627 AromaticContact CH2-CD1 3.9Å; W546-F627 HydrophobicContact CH2-CD1 3.9Å; W546-F627 HydrophobicContact CH2-CE1 4.48Å; W546-F627 HydrophobicContact CH2-CG 4.06Å; W546-F627 AromaticContact CZ3-CD1 3.75Å; W546-F627 HydrophobicContact CZ3-CD1 3.75Å; W546-F627 HydrophobicContact CZ3-CE1 4.31Å; W546-F627 HydrophobicContact CZ3-CG 4.33Å; W546-F629 HydrophobicContact CE3-CE2 4.03Å; W546-F629 AromaticContact CZ3-CE2 3.79Å; W546-F629 HydrophobicContact CZ3-CE2 3.79Å; W546-F629 HydrophobicContact CZ3-CZ 4.34Å
547A98.1Very high95.7Very high2 Ų240.1 Ų40.12%0.01722%0.223CC..  trans-68.8138.7179.200000110.1C536 E543 K544 N602 F629C536-A547 HydrophobicContact CB-CB 3.81Å; E543-A547 HydrophobicContact CB-CB 4.31Å; K544-A547 WeakPolarHBondContact O-CB 3.39Å; K544-A547 PolarHBondContact O-N 2.83Å; A547-N602 WeakPolarHBondContact O-CB 3.42Å; A547-N602 PolarHBondContact O-ND2 2.64Å; A547-F629 HydrophobicContact CB-CZ 4.48Å
548I98.6Very high95.3Very high6 Ų639.3 Ų39.33%0.03122%0.221CC..  trans-123.9158.5178.768.5164.9000110.8V349 L572 R578 L582 N602 F629 L640V349-I548 HydrophobicContact CG2-CD1 3.75Å; I548-L572 HydrophobicContact CD1-CB 4.23Å; I548-L572 HydrophobicContact CD1-CD1 4.22Å; I548-R578 VanDerWaalsContact CG2-CD 3.47Å; I548-L582 HydrophobicContact CB-CD1 4.33Å; I548-N602 HydrophobicContact CB-CB 4.32Å; I548-N602 HydrophobicContact CG2-CB 4.15Å; I548-F629 HydrophobicContact CD1-CB 3.91Å; I548-F629 HydrophobicContact CD1-CD1 4.47Å; I548-F629 HydrophobicContact CD1-CD2 4.23Å; I548-F629 HydrophobicContact CD1-CG 3.97Å; I548-F629 HydrophobicContact CG1-CB 4.08Å; I548-F629 HydrophobicContact CG1-CD1 3.79Å; I548-F629 HydrophobicContact CG1-CD2 3.62Å; I548-F629 HydrophobicContact CG1-CE1 4.06Å; I548-F629 HydrophobicContact CG1-CE2 3.89Å; I548-F629 HydrophobicContact CG1-CG 3.55Å; I548-F629 HydrophobicContact CG1-CZ 4.11Å; I548-F629 WeakPolarHBondContact O-CE1 3.13Å; I548-L640 HydrophobicContact CD1-CD1 4Å
549G98.6Very high95Very high0 Ų035.4 Ų35.40%020%0.2CC..  trans-63.5151.517200000112.2L582 N602 R604 L640G549-L582 WeakPolarHBondContact O-CD2 3.23Å; G549-N602 PolarHBondContact N-O 2.77Å; G549-R604 CarbonylContact C-O 3.53Å; G549-R604 WeakPolarHBondContact CA-O 3.5Å; G549-L640 WeakPolarHBondContact O-CD1 3.48Å
550T98.7Very high94.6Very high0 Ų042 Ų420%023%0.228CC..  trans-110.2-17.9-177.457.20000112.6R604 R605 I606 D607 F629 H639 L640 V642T550-R604 PolarHBondContact N-O 3.44Å; T550-R605 HydrophobicContact CG2-CG 3.95Å; T550-I606 PolarHBondContact OG1-N 2.92Å; T550-D607 WeakPolarHBondContact CB-OD2 3.48Å; T550-D607 HydrophobicContact CG2-CB 4.17Å; T550-D607 PolarHBondContact OG1-N 3.17Å; T550-D607 VanDerWaalsContact OG1-N 3.1Å; T550-D607 PolarHBondContact OG1-OD2 3.22Å; T550-F629 HydrophobicContact CG2-CD1 3.89Å; T550-F629 HydrophobicContact CG2-CE1 3.9Å; T550-H639 CarbonylContact O-C 3.45Å; T550-H639 VanDerWaalsContact O-CA 3.32Å; T550-H639 WeakPolarHBondContact O-CA 3.16Å; T550-L640 PolarHBondContact O-N 3.4Å; T550-V642 HydrophobicContact CG2-CG2 3.58Å
551L98Very high93.9Very high29 Ų2943.9 Ų43.915%0.15224%0.235CC..BIsolated β-bridgetrans-87.2123.2174.2-17863.6000110.5A583 R604 I606L551-A583 HydrophobicContact CB-CB 3.99Å; L551-A583 HydrophobicContact CD2-CB 3.7Å; L551-A583 HydrophobicContact CG-CB 3.72Å; L551-A583 WeakPolarHBondContact O-CB 3.41Å; L551-A583 PolarHBondContact O-N 3.28Å; L551-R604 PolarHBondContact N-O 3.05Å; L551-I606 HydrophobicContact CB-CD1 3.96Å; L551-I606 HydrophobicContact CB-CG1 4.26Å; L551-I606 HydrophobicContact CD1-CD1 4.38Å; L551-I606 HydrophobicContact CD2-CD1 4.02Å; L551-I606 HydrophobicContact CG-CD1 4.35Å
552L96.8Very high93.5Very high11 Ų1142.8 Ų42.86%0.05822%0.223CC..BIsolated β-bridgetrans-80.2146.3176-65.4164.7000110.9T554 L557 L568 Y581 L582 D638 L640L552-T554 PolarHBondContact O-N 3Å; L552-L557 HydrophobicContact CD1-CD1 4.03Å; L552-L568 HydrophobicContact CD2-CD1 4.24Å; L552-L568 HydrophobicContact CD2-CD2 4.39Å; L552-Y581 CarbonylContact C-O 3.57Å; L552-Y581 WeakPolarHBondContact CA-O 3.32Å; L552-L582 HydrophobicContact CD2-CD2 4.03Å; L552-D638 VanDerWaalsContact CB-O 3.27Å; L552-D638 WeakPolarHBondContact CB-O 3.37Å; L552-D638 PolarHBondContact N-O 3.26Å; L552-L640 HydrophobicContact CD1-CD2 4.31Å; L552-L640 HydrophobicContact CD2-CD2 4.16Å; L552-L640 HydrophobicContact CG-CD2 4.35Å
553D94.5Very high92.8Very high31 Ų3139.7 Ų39.717%0.16621%0.214CC..  trans-73106.3168.2-169.5-24000108.9N555 G556 Y581 K593D553-N555 PolarHBondContact O-N 3.15Å; D553-N555 WeakPolarHBondContact OD1-CB 3.49Å; D553-N555 PolarHBondContact OD1-N 3Å; D553-N555 PolarHBondContact OD1-ND2 3.39Å; D553-G556 PolarHBondContact O-N 3.13Å; D553-G556 VanDerWaalsContact O-N 3.12Å; D553-Y581 PolarHBondContact N-O 2.83Å; D553-K593 WeakPolarHBondContact OD2-CD 3.24Å; D553-K593 IonicContact OD2-NZ 3.43Å; D553-K593 PolarHBondContact OD2-NZ 3.46Å
554T90.7Very high92.7Very high37 Ų3740.5 Ų40.523%0.22722%0.222CC..G310 helixtrans-60.3-21.2-172.160.80000113N143 L552 G556 L557 D638N143-T554 PolarHBondContact ND2-O 3.44Å; L552-T554 PolarHBondContact O-N 3Å; T554-G556 VanDerWaalsContact C-N 3.29Å; T554-G556 PolarHBondContact O-N 3.31Å; T554-L557 WeakPolarHBondContact O-CB 3.38Å; T554-L557 PolarHBondContact O-N 2.89Å; T554-D638 HydrophobicContact CG2-CB 3.9Å
555N87.5Confident92.7Very high115 Ų11540.4 Ų40.462%0.61522%0.224SC*.G310 helixtrans-62.9-34.9178.3-63.6-60.8000113D553D553-N555 PolarHBondContact O-N 3.15Å; D553-N555 WeakPolarHBondContact OD1-CB 3.49Å; D553-N555 PolarHBondContact OD1-N 3Å; D553-N555 PolarHBondContact OD1-ND2 3.39Å
556G86.8Confident92.7Very high9 Ų938.8 Ų38.89%0.09321%0.21CC..G310 helixtrans-964.5-177.200000114.7D553 T554 Y558 D559 V562D553-G556 PolarHBondContact O-N 3.13Å; D553-G556 VanDerWaalsContact O-N 3.12Å; T554-G556 VanDerWaalsContact C-N 3.29Å; T554-G556 PolarHBondContact O-N 3.31Å; G556-Y558 PolarHBondContact O-N 3.41Å; G556-D559 PolarHBondContact O-N 3.21Å; G556-D559 VanDerWaalsContact O-N 3.07Å; G556-V562 WeakPolarHBondContact O-CG2 3.25Å
557L89.3Confident92.8Very high5 Ų539.6 Ų39.63%0.02622%0.217CC..THydrogen-bonded Turntrans-58.5-24.2-169.8-168.166.7000114.6L144 L552 T554L144-L557 HydrophobicContact CD2-CD2 3.5Å; L144-L557 VanDerWaalsContact CD2-CD2 3.5Å; L144-L557 HydrophobicContact CG-CD2 4.11Å; L552-L557 HydrophobicContact CD1-CD1 4.03Å; T554-L557 WeakPolarHBondContact O-CB 3.38Å; T554-L557 PolarHBondContact O-N 2.89Å
558Y89.8Confident92.7Very high23 Ų2339.6 Ų39.69%0.0922%0.216CC..THydrogen-bonded Turntrans-112.417.2-177.2-57.4-66.5000113.7T42 Y43 R46 N143 F145 G556T42-Y558 WeakPolarHBondContact OG1-CD2 3.36Å; Y43-Y558 HydrophobicContact CD2-CD1 4.5Å; Y43-Y558 HydrophobicContact CD2-CG 4.4Å; Y43-Y558 HydrophobicContact CG-CG 4.49Å; R46-Y558 PolarHBondContact NH1-O 3.25Å; N143-Y558 WeakPolarHBondContact O-CE2 3.43Å; N143-Y558 VanDerWaalsContact O-CZ 3.27Å; N143-Y558 PolarHBondContact O-OH 2.93Å; F145-Y558 WeakPolarHBondContact CD1-OH 3.46Å; F145-Y558 AromaticContact CE1-CE1 3.95Å; F145-Y558 HydrophobicContact CE1-CE1 3.95Å; F145-Y558 AromaticContact CE1-CZ 3.77Å; F145-Y558 WeakPolarHBondContact CE1-OH 3.37Å; G556-Y558 PolarHBondContact O-N 3.41Å
559D91.4Very high92.7Very high33 Ų3341.6 Ų41.618%0.17623%0.225CC..  trans-71.7142.2172.1-66.5-19.5000110.5R46 G556 D561 V562 C563 Y581R46-D559 IonicContact CZ-OD1 2.79Å; R46-D559 IonicContact NH1-OD1 3.76Å; R46-D559 IonicContact NH2-OD1 3.65Å; R46-D559 PolarHBondContact NH2-OD1 3.49Å; G556-D559 PolarHBondContact O-N 3.21Å; G556-D559 VanDerWaalsContact O-N 3.07Å; D559-D561 PolarHBondContact O-N 3.19Å; D559-D561 VanDerWaalsContact O-N 3.16Å; D559-V562 HydrophobicContact CB-CG2 4.09Å; D559-V562 WeakPolarHBondContact O-CG2 3.36Å; D559-V562 PolarHBondContact O-N 3.01Å; D559-C563 WeakPolarHBondContact O-CB 3.29Å; D559-C563 PolarHBondContact O-N 3.11Å; D559-Y581 HydrophobicContact CB-CE1 4Å; D559-Y581 WeakPolarHBondContact CB-OH 3.33Å; D559-Y581 WeakPolarHBondContact OD2-CE1 3.31Å; D559-Y581 PolarHBondContact OD2-OH 3.02Å; D559-Y581 VanDerWaalsContact OD2-OH 3.07Å
560E87.5Confident92.6Very high147 Ų14747.8 Ų47.869%0.68725%0.253SS*.THydrogen-bonded Turntrans-56.7-33-179.7-65.8-63.9143.600111.7V562 N567E560-V562 PolarHBondContact O-N 3.23Å; E560-N567 PolarHBondContact O-ND2 3.24Å
561D85.3Confident92.5Very high105 Ų10548.9 Ų48.956%0.56126%0.259SS*.THydrogen-bonded Turntrans-69.2-13.1179.1-62.7-32.3000113.4D559 N567 V571D559-D561 PolarHBondContact O-N 3.19Å; D559-D561 VanDerWaalsContact O-N 3.16Å; D561-N567 VanDerWaalsContact O-CB 3.24Å; D561-N567 WeakPolarHBondContact O-CB 3.34Å; D561-V571 VanDerWaalsContact O-CG2 3.32Å; D561-V571 WeakPolarHBondContact O-CG2 3.19Å
562V87.1Confident92.5Very high4 Ų447.5 Ų47.52%0.02425%0.252CS..THydrogen-bonded Turntrans-126.9-10178.2-65.50000114.3G556 D559 E560 T564 L568 V571 Y581 S634G556-V562 WeakPolarHBondContact O-CG2 3.25Å; D559-V562 HydrophobicContact CB-CG2 4.09Å; D559-V562 WeakPolarHBondContact O-CG2 3.36Å; D559-V562 PolarHBondContact O-N 3.01Å; E560-V562 PolarHBondContact O-N 3.23Å; V562-T564 PolarHBondContact O-N 3.37Å; V562-L568 HydrophobicContact CB-CB 4.42Å; V562-L568 HydrophobicContact CB-CD1 3.97Å; V562-L568 HydrophobicContact CG1-CD1 3.73Å; V562-V571 HydrophobicContact CG1-CB 4.32Å; V562-V571 HydrophobicContact CG1-CG1 4.05Å; V562-V571 HydrophobicContact CG1-CG2 4.12Å; V562-Y581 HydrophobicContact CB-CD1 4.26Å; V562-Y581 HydrophobicContact CB-CE1 4.22Å; V562-Y581 HydrophobicContact CG1-CD1 3.46Å; V562-Y581 VanDerWaalsContact CG1-CD1 3.46Å; V562-Y581 HydrophobicContact CG1-CD2 3.81Å; V562-Y581 HydrophobicContact CG1-CE1 3.51Å; V562-Y581 HydrophobicContact CG1-CE2 3.82Å; V562-Y581 HydrophobicContact CG1-CG 3.61Å; V562-Y581 HydrophobicContact CG2-CD1 3.9Å; V562-Y581 HydrophobicContact CG2-CE1 3.65Å; V562-S634 WeakPolarHBondContact O-CB 3.39Å; V562-S634 PolarHBondContact O-OG 3.35Å
563C84.4Confident92.5Very high58 Ų5852.6 Ų52.639%0.39228%0.275SS..SBendtrans-65.3-11-172.1-1650000115.3D559D559-C563 WeakPolarHBondContact O-CB 3.29Å; D559-C563 PolarHBondContact O-N 3.11Å
564T94.8Very high92.6Very high59 Ų5953.1 Ų53.136%0.36228%0.282SS..SBendtrans-116.3151.4174.8720000112V562 D566 N567 L568V562-T564 PolarHBondContact O-N 3.37Å; T564-D566 VanDerWaalsContact C-N 3.33Å; T564-D566 PolarHBondContact O-N 3.31Å; T564-N567 PolarHBondContact O-N 3.21Å; T564-N567 VanDerWaalsContact OG1-CB 3.28Å; T564-N567 WeakPolarHBondContact OG1-CB 3.41Å; T564-N567 PolarHBondContact OG1-N 3.07Å; T564-N567 PolarHBondContact OG1-ND2 3.29Å; T564-N567 PolarHBondContact OG1-OD1 3.29Å; T564-L568 PolarHBondContact O-N 3.45Å
565P96.6Very high92.8Very high26 Ų2655.3 Ų55.317%0.16929%0.289CS..Hα-helixtrans-53.1-45.9177.3-30.938.4000114.3A351 L568 Q569 T631A351-P565 HydrophobicContact CB-CB 4.11Å; P565-L568 PolarHBondContact O-N 2.89Å; P565-Q569 WeakPolarHBondContact O-CB 3.34Å; P565-Q569 PolarHBondContact O-N 3.37Å; P565-T631 WeakPolarHBondContact CA-O 3.28Å; P565-T631 PolarHBondContact O-OG1 2.9Å
566D97Very high93Very high77 Ų7755.2 Ų55.241%0.41229%0.285SS..Hα-helixtrans-69.5-35.7-177.5-61.5-20.3000112A351 T564 K570A351-D566 VanDerWaalsContact CB-OD1 3.29Å; A351-D566 WeakPolarHBondContact CB-OD1 3.2Å; T564-D566 VanDerWaalsContact C-N 3.33Å; T564-D566 PolarHBondContact O-N 3.31Å; D566-K570 WeakPolarHBondContact O-CG 3.08Å; D566-K570 PolarHBondContact O-N 3.18Å; D566-K570 VanDerWaalsContact O-N 3.17Å
567N96.7Very high93.4Very high55 Ų5555.1 Ų55.129%0.29428%0.284SS..Hα-helixtrans-69.6-47.6176.6-68.2-6.2000110.4E560 D561 T564 Q569 K570 V571E560-N567 PolarHBondContact O-ND2 3.24Å; D561-N567 VanDerWaalsContact O-CB 3.24Å; D561-N567 WeakPolarHBondContact O-CB 3.34Å; T564-N567 PolarHBondContact O-N 3.21Å; T564-N567 VanDerWaalsContact OG1-CB 3.28Å; T564-N567 WeakPolarHBondContact OG1-CB 3.41Å; T564-N567 PolarHBondContact OG1-N 3.07Å; T564-N567 PolarHBondContact OG1-ND2 3.29Å; T564-N567 PolarHBondContact OG1-OD1 3.29Å; N567-Q569 VanDerWaalsContact C-N 3.26Å; N567-Q569 PolarHBondContact O-N 3.41Å; N567-K570 PolarHBondContact O-N 2.66Å; N567-V571 WeakPolarHBondContact O-CG2 3.34Å; N567-V571 PolarHBondContact O-N 2.9Å
568L97.6Very high93.8Very high2 Ų256.4 Ų56.41%0.0129%0.288CS..Hα-helixtrans-60.9-36.9176.6-178.161.6000111.5L552 V562 T564 P565 V571 L572 T631 S634 L640L552-L568 HydrophobicContact CD2-CD1 4.24Å; L552-L568 HydrophobicContact CD2-CD2 4.39Å; V562-L568 HydrophobicContact CB-CB 4.42Å; V562-L568 HydrophobicContact CB-CD1 3.97Å; V562-L568 HydrophobicContact CG1-CD1 3.73Å; T564-L568 PolarHBondContact O-N 3.45Å; P565-L568 PolarHBondContact O-N 2.89Å; L568-V571 PolarHBondContact O-N 3.46Å; L568-L572 HydrophobicContact CD1-CD1 3.84Å; L568-L572 HydrophobicContact CD1-CD2 4.2Å; L568-L572 HydrophobicContact CD1-CG 3.78Å; L568-L572 HydrophobicContact CD2-CD1 4.44Å; L568-L572 HydrophobicContact CG-CD1 3.84Å; L568-L572 HydrophobicContact CG-CG 4.17Å; L568-L572 WeakPolarHBondContact O-CB 3.48Å; L568-L572 VanDerWaalsContact O-CG 3.24Å; L568-L572 WeakPolarHBondContact O-CG 3.49Å; L568-L572 PolarHBondContact O-N 2.82Å; L568-T631 HydrophobicContact CB-CG2 4.22Å; L568-T631 HydrophobicContact CD2-CG2 3.98Å; L568-T631 HydrophobicContact CG-CG2 3.76Å; L568-S634 WeakPolarHBondContact CD2-OG 3.48Å; L568-L640 HydrophobicContact CD2-CD2 4Å
569Q98.1Very high94Very high47 Ų4757.2 Ų57.222%0.2229%0.292CS..Hα-helixtrans-56.7-54.8173.2-177.6-175.125.100111.2V349 A351 P565 N567 V571 L572 E573 T631V349-Q569 HydrophobicContact CB-CG 4.46Å; V349-Q569 HydrophobicContact CG1-CG 4.14Å; V349-Q569 PolarHBondContact O-NE2 3.1Å; A351-Q569 HydrophobicContact CB-CB 4.45Å; P565-Q569 WeakPolarHBondContact O-CB 3.34Å; P565-Q569 PolarHBondContact O-N 3.37Å; N567-Q569 VanDerWaalsContact C-N 3.26Å; N567-Q569 PolarHBondContact O-N 3.41Å; Q569-V571 VanDerWaalsContact C-N 3.29Å; Q569-V571 PolarHBondContact O-N 3.42Å; Q569-L572 PolarHBondContact O-N 3.34Å; Q569-E573 WeakPolarHBondContact O-CG 3.39Å; Q569-E573 PolarHBondContact O-N 2.85Å; Q569-T631 HydrophobicContact CB-CG2 4.44Å
570K96.9Very high94.1Very high131 Ų13159.5 Ų59.557%0.5730%0.301SS*.Hα-helixtrans-59.2-40179.4-69167.7-173.1167.40112.4D566 N567D566-K570 WeakPolarHBondContact O-CG 3.08Å; D566-K570 PolarHBondContact O-N 3.18Å; D566-K570 VanDerWaalsContact O-N 3.17Å; N567-K570 PolarHBondContact O-N 2.66Å
571V96.9Very high94.5Very high23 Ų2353.2 Ų53.214%0.13927%0.271CS..Hα-helixtrans-61.5-48.8177.3165.80000110.4D561 V562 N567 L568 Q569 E573 S574 G577 Y581D561-V571 VanDerWaalsContact O-CG2 3.32Å; D561-V571 WeakPolarHBondContact O-CG2 3.19Å; V562-V571 HydrophobicContact CG1-CB 4.32Å; V562-V571 HydrophobicContact CG1-CG1 4.05Å; V562-V571 HydrophobicContact CG1-CG2 4.12Å; N567-V571 WeakPolarHBondContact O-CG2 3.34Å; N567-V571 PolarHBondContact O-N 2.9Å; L568-V571 PolarHBondContact O-N 3.46Å; Q569-V571 VanDerWaalsContact C-N 3.29Å; Q569-V571 PolarHBondContact O-N 3.42Å; V571-E573 VanDerWaalsContact C-N 3.32Å; V571-E573 PolarHBondContact O-N 3.34Å; V571-S574 PolarHBondContact O-N 3.45Å; V571-S574 VanDerWaalsContact O-N 3.14Å; V571-S574 PolarHBondContact O-OG 3.19Å; V571-G577 WeakPolarHBondContact O-CA 3.2Å; V571-Y581 HydrophobicContact CG1-CD2 3.33Å; V571-Y581 HydrophobicContact CG1-CE2 3.93Å; V571-Y581 HydrophobicContact CG1-CG 4.06Å
572L97.7Very high95Very high0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-75-19.1-175.8-64.4-179.6000113.9V349 I548 L568 Q569 S574 R578 L582 T631 L640V349-L572 HydrophobicContact CG1-CB 4.19Å; V349-L572 HydrophobicContact CG1-CD1 4.48Å; I548-L572 HydrophobicContact CD1-CB 4.23Å; I548-L572 HydrophobicContact CD1-CD1 4.22Å; L568-L572 HydrophobicContact CD1-CD1 3.84Å; L568-L572 HydrophobicContact CD1-CD2 4.2Å; L568-L572 HydrophobicContact CD1-CG 3.78Å; L568-L572 HydrophobicContact CD2-CD1 4.44Å; L568-L572 HydrophobicContact CG-CD1 3.84Å; L568-L572 HydrophobicContact CG-CG 4.17Å; L568-L572 WeakPolarHBondContact O-CB 3.48Å; L568-L572 VanDerWaalsContact O-CG 3.24Å; L568-L572 WeakPolarHBondContact O-CG 3.49Å; L568-L572 PolarHBondContact O-N 2.82Å; Q569-L572 PolarHBondContact O-N 3.34Å; L572-S574 VanDerWaalsContact C-N 3.26Å; L572-S574 PolarHBondContact O-N 2.89Å; L572-R578 HydrophobicContact CD2-CG 4.23Å; L572-R578 VanDerWaalsContact O-CD 3.3Å; L572-R578 WeakPolarHBondContact O-CD 3.5Å; L572-R578 WeakPolarHBondContact O-CG 3Å; L572-R578 PolarHBondContact O-NH1 3.25Å; L572-L582 HydrophobicContact CD2-CD1 4.02Å; L572-L582 HydrophobicContact CD2-CD2 3.74Å; L572-L582 HydrophobicContact CD2-CG 3.7Å; L572-T631 HydrophobicContact CD1-CG2 3.81Å; L572-L640 HydrophobicContact CD1-CD1 3.53Å; L572-L640 HydrophobicContact CD1-CD2 4.03Å; L572-L640 HydrophobicContact CD1-CG 4.43Å
573E96.3Very high95.4Very high118 Ų11848.9 Ų48.955%0.55125%0.25SS*.Hα-helixtrans-67.5-27.7168.9-73.9174170.300112V349 Q569 V571 R578V349-E573 HydrophobicContact CB-CG 4.45Å; Q569-E573 WeakPolarHBondContact O-CG 3.39Å; Q569-E573 PolarHBondContact O-N 2.85Å; V571-E573 VanDerWaalsContact C-N 3.32Å; V571-E573 PolarHBondContact O-N 3.34Å; E573-R578 VanDerWaalsContact C-NH1 3.29Å; E573-R578 PolarHBondContact O-NH1 3.39Å
574S96.1Very high95.9Very high42 Ų4246.6 Ų46.629%0.29423%0.234SC..SBendtrans-88.8143.8176.475.80000113.2V571 L572 G577 R578V571-S574 PolarHBondContact O-N 3.45Å; V571-S574 VanDerWaalsContact O-N 3.14Å; V571-S574 PolarHBondContact O-OG 3.19Å; L572-S574 VanDerWaalsContact C-N 3.26Å; L572-S574 PolarHBondContact O-N 2.89Å; S574-G577 PolarHBondContact O-N 3.38Å; S574-G577 WeakPolarHBondContact OG-CA 3.37Å; S574-G577 PolarHBondContact OG-N 3.37Å; S574-R578 VanDerWaalsContact C-NH1 3.34Å; S574-R578 WeakPolarHBondContact O-CG 3.4Å; S574-R578 PolarHBondContact O-N 3.32Å; S574-R578 PolarHBondContact O-NH1 2.82Å
575E94.8Very high95.7Very high82 Ų8245.8 Ų45.838%0.38323%0.229SC..Hα-helixtrans-67.4-38.7177.3-163.8-166.2174.700111.5R578 R579E575-R578 PolarHBondContact O-N 2.86Å; E575-R579 WeakPolarHBondContact O-CG 3.42Å; E575-R579 PolarHBondContact O-N 3.34Å; E575-R579 IonicContact OE1-CZ 3.2Å; E575-R579 IonicContact OE1-NH1 2.68Å; E575-R579 PolarHBondContact OE1-NH1 3.11Å; E575-R579 IonicContact OE2-CZ 2.77Å; E575-R579 IonicContact OE2-NH1 3.84Å; E575-R579 PolarHBondContact OE2-NH1 3.43Å
576E93.3Very high95.1Very high114 Ų11447.2 Ų47.253%0.53324%0.238SC..Hα-helixtrans-59-48.3175.9-6664.2-139.300111.2R579 E580E576-R579 VanDerWaalsContact CD-NH2 3.3Å; E576-R579 PolarHBondContact O-N 2.97Å; E576-R579 IonicContact OE1-CZ 2.76Å; E576-R579 IonicContact OE1-NH2 3.53Å; E576-R579 PolarHBondContact OE1-NH2 3.39Å; E576-E580 PolarHBondContact O-N 2.95Å; E576-E580 VanDerWaalsContact O-N 3.1Å
577G94.9Very high94.2Very high7 Ų745.6 Ų45.67%0.07223%0.232CC..Hα-helixtrans-64.3-40.8178.300000112.2V571 S574 E580 Y581V571-G577 WeakPolarHBondContact O-CA 3.2Å; S574-G577 PolarHBondContact O-N 3.38Å; S574-G577 WeakPolarHBondContact OG-CA 3.37Å; S574-G577 PolarHBondContact OG-N 3.37Å; G577-E580 PolarHBondContact O-N 3.24Å; G577-Y581 WeakPolarHBondContact O-CD2 3.21Å; G577-Y581 PolarHBondContact O-N 3.3Å
578R96.4Very high93Very high31 Ų3150.7 Ų50.712%0.11725%0.252CS..Hα-helixtrans-58.8-49.8172.7-72.2-168.4-60.4-83.45.3111.9I548 L572 E573 S574 E575 E580 Y581 L582 F584 N602I548-R578 VanDerWaalsContact CG2-CD 3.47Å; L572-R578 HydrophobicContact CD2-CG 4.23Å; L572-R578 VanDerWaalsContact O-CD 3.3Å; L572-R578 WeakPolarHBondContact O-CD 3.5Å; L572-R578 WeakPolarHBondContact O-CG 3Å; L572-R578 PolarHBondContact O-NH1 3.25Å; E573-R578 VanDerWaalsContact C-NH1 3.29Å; E573-R578 PolarHBondContact O-NH1 3.39Å; S574-R578 VanDerWaalsContact C-NH1 3.34Å; S574-R578 WeakPolarHBondContact O-CG 3.4Å; S574-R578 PolarHBondContact O-N 3.32Å; S574-R578 PolarHBondContact O-NH1 2.82Å; E575-R578 PolarHBondContact O-N 2.86Å; R578-E580 PolarHBondContact O-N 2.89Å; R578-Y581 PolarHBondContact O-N 3.42Å; R578-L582 HydrophobicContact CB-CD1 3.95Å; R578-L582 HydrophobicContact CG-CD1 3.83Å; R578-L582 WeakPolarHBondContact O-CB 3.34Å; R578-L582 PolarHBondContact O-N 3.01Å; R578-F584 WeakPolarHBondContact O-CE2 3.46Å; R578-N602 PolarHBondContact NE-OD1 3.21Å; R578-N602 PolarHBondContact NH2-OD1 3.16Å
579R94.3Very high91.7Very high41 Ų4156 Ų5616%0.15529%0.289CS..Hα-helixtrans-58.8-28.5178.4-72.2-176.7-61.1-127.1-1.8113.1E575 E576 F584 K593 K596 L599E575-R579 WeakPolarHBondContact O-CG 3.42Å; E575-R579 PolarHBondContact O-N 3.34Å; E575-R579 IonicContact OE1-CZ 3.2Å; E575-R579 IonicContact OE1-NH1 2.68Å; E575-R579 PolarHBondContact OE1-NH1 3.11Å; E575-R579 IonicContact OE2-CZ 2.77Å; E575-R579 IonicContact OE2-NH1 3.84Å; E575-R579 PolarHBondContact OE2-NH1 3.43Å; E576-R579 VanDerWaalsContact CD-NH2 3.3Å; E576-R579 PolarHBondContact O-N 2.97Å; E576-R579 IonicContact OE1-CZ 2.76Å; E576-R579 IonicContact OE1-NH2 3.53Å; E576-R579 PolarHBondContact OE1-NH2 3.39Å; R579-F584 HydrophobicContact CG-CZ 4.06Å; R579-K593 WeakPolarHBondContact O-CE 3.47Å; R579-K593 PolarHBondContact O-NZ 2.94Å; R579-K596 WeakPolarHBondContact CD-O 3.13Å; R579-L599 HydrophobicContact CB-CD1 4.17Å; R579-L599 HydrophobicContact CG-CB 4.23Å; R579-L599 HydrophobicContact CG-CD1 4.37Å
580E93.6Very high90.3Very high81 Ų8156.8 Ų56.838%0.37930%0.3SS..Hα-helixtrans-82.5-50.7177.7-174.5146.4-141.700112.7E576 G577 R578 K593 K596E576-E580 PolarHBondContact O-N 2.95Å; E576-E580 VanDerWaalsContact O-N 3.1Å; G577-E580 PolarHBondContact O-N 3.24Å; R578-E580 PolarHBondContact O-N 2.89Å; E580-K593 PolarHBondContact O-NZ 3.29Å; E580-K596 IonicContact OE1-NZ 3.55Å; E580-K596 PolarHBondContact OE1-NZ 2.92Å; E580-K596 IonicContact OE2-NZ 3.11Å; E580-K596 PolarHBondContact OE2-NZ 3.42Å
581Y95.7Very high89.1Confident15 Ų1553.6 Ų53.66%0.05930%0.304CS..Hα-helixtrans-103.3-10.9-165.4-70.5-77.9000115.6L552 D553 D559 V562 V571 G577 R578L552-Y581 CarbonylContact C-O 3.57Å; L552-Y581 WeakPolarHBondContact CA-O 3.32Å; D553-Y581 PolarHBondContact N-O 2.83Å; D559-Y581 HydrophobicContact CB-CE1 4Å; D559-Y581 WeakPolarHBondContact CB-OH 3.33Å; D559-Y581 WeakPolarHBondContact OD2-CE1 3.31Å; D559-Y581 PolarHBondContact OD2-OH 3.02Å; D559-Y581 VanDerWaalsContact OD2-OH 3.07Å; V562-Y581 HydrophobicContact CB-CD1 4.26Å; V562-Y581 HydrophobicContact CB-CE1 4.22Å; V562-Y581 HydrophobicContact CG1-CD1 3.46Å; V562-Y581 VanDerWaalsContact CG1-CD1 3.46Å; V562-Y581 HydrophobicContact CG1-CD2 3.81Å; V562-Y581 HydrophobicContact CG1-CE1 3.51Å; V562-Y581 HydrophobicContact CG1-CE2 3.82Å; V562-Y581 HydrophobicContact CG1-CG 3.61Å; V562-Y581 HydrophobicContact CG2-CD1 3.9Å; V562-Y581 HydrophobicContact CG2-CE1 3.65Å; V571-Y581 HydrophobicContact CG1-CD2 3.33Å; V571-Y581 HydrophobicContact CG1-CE2 3.93Å; V571-Y581 HydrophobicContact CG1-CG 4.06Å; G577-Y581 WeakPolarHBondContact O-CD2 3.21Å; G577-Y581 PolarHBondContact O-N 3.3Å; R578-Y581 PolarHBondContact O-N 3.42Å
582L96.7Very high88Confident0 Ų059 Ų590%033%0.327CS..BIsolated β-bridgetrans-96.3150.6171.4-61.2177.8000111I548 G549 L552 L572 R578 F584 K593 N602 L640I548-L582 HydrophobicContact CB-CD1 4.33Å; G549-L582 WeakPolarHBondContact O-CD2 3.23Å; L552-L582 HydrophobicContact CD2-CD2 4.03Å; L572-L582 HydrophobicContact CD2-CD1 4.02Å; L572-L582 HydrophobicContact CD2-CD2 3.74Å; L572-L582 HydrophobicContact CD2-CG 3.7Å; R578-L582 HydrophobicContact CB-CD1 3.95Å; R578-L582 HydrophobicContact CG-CD1 3.83Å; R578-L582 WeakPolarHBondContact O-CB 3.34Å; R578-L582 PolarHBondContact O-N 3.01Å; L582-F584 HydrophobicContact CB-CE2 4.17Å; L582-F584 WeakPolarHBondContact O-CD2 3.49Å; L582-K593 WeakPolarHBondContact O-CE 3.4Å; L582-K593 PolarHBondContact O-NZ 2.98Å; L582-N602 WeakPolarHBondContact CD1-O 3.5Å; L582-L640 HydrophobicContact CD2-CD1 4.18Å
583A95.1Very high86.9Confident17 Ų1761.9 Ų61.914%0.1434%0.34CS..  trans-67.3139.7167.600000109.8L551 G603 R604L551-A583 HydrophobicContact CB-CB 3.99Å; L551-A583 HydrophobicContact CD2-CB 3.7Å; L551-A583 HydrophobicContact CG-CB 3.72Å; L551-A583 WeakPolarHBondContact O-CB 3.41Å; L551-A583 PolarHBondContact O-N 3.28Å; A583-G603 CarbonylContact O-C 3.49Å; A583-G603 VanDerWaalsContact O-CA 3.32Å; A583-G603 WeakPolarHBondContact O-CA 3.31Å; A583-R604 PolarHBondContact O-N 2.98Å
584F94.4Very high85.8Confident11 Ų1157.1 Ų57.15%0.04832%0.323CS..  trans-124.6158173.9-83.3-103.5000109.3R578 R579 L582 T586 K593 L599 K600 G601R578-F584 WeakPolarHBondContact O-CE2 3.46Å; R579-F584 HydrophobicContact CG-CZ 4.06Å; L582-F584 HydrophobicContact CB-CE2 4.17Å; L582-F584 WeakPolarHBondContact O-CD2 3.49Å; F584-T586 PolarHBondContact O-N 2.79Å; F584-K593 HydrophobicContact CB-CG 4.49Å; F584-L599 HydrophobicContact CB-CD1 4.31Å; F584-L599 HydrophobicContact CB-CD2 3.81Å; F584-L599 HydrophobicContact CD1-CB 3.87Å; F584-L599 HydrophobicContact CD1-CD1 4.26Å; F584-L599 HydrophobicContact CD1-CD2 4.12Å; F584-L599 HydrophobicContact CD1-CG 4.3Å; F584-L599 HydrophobicContact CD2-CD1 4Å; F584-L599 HydrophobicContact CE1-CB 3.97Å; F584-L599 HydrophobicContact CE2-CD1 4.41Å; F584-L599 HydrophobicContact CG-CB 4.38Å; F584-L599 HydrophobicContact CG-CD1 3.92Å; F584-L599 HydrophobicContact CG-CD2 4.04Å; F584-L599 HydrophobicContact CG-CG 4.33Å; F584-K600 WeakPolarHBondContact CE1-O 3.4Å; F584-G601 WeakPolarHBondContact CE1-O 3.36Å
585P90.3Very high84.9Confident41 Ų4164.7 Ų64.727%0.26635%0.345SS..PPolyproline II helixtrans-52.1131.1173.6-26.736.5000111.3R604P585-R604 HydrophobicContact CG-CG 4.18Å
586T84.3Confident84Confident57 Ų5765.6 Ų65.635%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-71.5140-175.2-150000110.6F584 K588 Q592F584-T586 PolarHBondContact O-N 2.79Å; T586-K588 PolarHBondContact O-N 3.17Å; T586-Q592 VanDerWaalsContact CG2-C 3.48Å
587S77.3Confident83Confident43 Ų4368.9 Ų68.930%0.30136%0.363SS..EExtended strand (participates in β ladder)trans-73120.9176178.30000110.3S589 S590 G591 Q592S587-S589 PolarHBondContact O-N 3.09Å; S587-S589 PolarHBondContact OG-OG 2.97Å; S587-S590 WeakPolarHBondContact CB-OG 3.5Å; S587-S590 PolarHBondContact O-N 3.39Å; S587-S590 VanDerWaalsContact O-N 3.09Å; S587-G591 PolarHBondContact O-N 3.27Å; S587-Q592 PolarHBondContact N-O 3.03Å
588K73.3Confident82.2Confident162 Ų16274.7 Ų74.770%0.70439%0.392SS*.THydrogen-bonded Turntrans-56-26-178.9-62.6-170.8178.6-169.30114D519 T586D519-K588 WeakPolarHBondContact OD1-CE 3.46Å; D519-K588 IonicContact OD1-NZ 2.75Å; D519-K588 PolarHBondContact OD1-NZ 3.18Å; D519-K588 IonicContact OD2-NZ 2.65Å; T586-K588 PolarHBondContact O-N 3.17Å
589S69.6Low81.6Confident113 Ų11374.1 Ų74.179%0.7939%0.391SS*.THydrogen-bonded Turntrans-81.8-26.6-179.364.70000114.2S587S587-S589 PolarHBondContact O-N 3.09Å; S587-S589 PolarHBondContact OG-OG 2.97Å
590S69.3Low81.1Confident64 Ų6481 Ų8145%0.44842%0.422SS..THydrogen-bonded Turntrans-118.2-12.4-173.657.60000114S587 Q592S587-S590 WeakPolarHBondContact CB-OG 3.5Å; S587-S590 PolarHBondContact O-N 3.39Å; S587-S590 VanDerWaalsContact O-N 3.09Å; S590-Q592 PolarHBondContact O-N 3.36Å; S590-Q592 VanDerWaalsContact O-N 3.1Å
591G69.9Low81Confident63 Ų6379.2 Ų79.265%0.64943%0.425SS*.THydrogen-bonded Turntrans6116.7-174.700000113.3S587S587-G591 PolarHBondContact O-N 3.27Å
592Q73.9Confident81Confident136 Ų13680 Ų8064%0.63643%0.43SS*.EExtended strand (participates in β ladder)trans-128.3159.7-177.8-69.6-178.4-13.800110.1T586 S587 S590 G594T586-Q592 VanDerWaalsContact CG2-C 3.48Å; S587-Q592 PolarHBondContact N-O 3.03Å; S590-Q592 PolarHBondContact O-N 3.36Å; S590-Q592 VanDerWaalsContact O-N 3.1Å; Q592-G594 PolarHBondContact O-N 2.88Å
593K76.3Confident81Confident61 Ų6180.2 Ų80.227%0.26543%0.433SS..EExtended strand (participates in β ladder)trans-50.1131.8169.6-168.3178-169.3171.10109.4D553 R579 E580 L582 F584 L599D553-K593 WeakPolarHBondContact OD2-CD 3.24Å; D553-K593 IonicContact OD2-NZ 3.43Å; D553-K593 PolarHBondContact OD2-NZ 3.46Å; R579-K593 WeakPolarHBondContact O-CE 3.47Å; R579-K593 PolarHBondContact O-NZ 2.94Å; E580-K593 PolarHBondContact O-NZ 3.29Å; L582-K593 WeakPolarHBondContact O-CE 3.4Å; L582-K593 PolarHBondContact O-NZ 2.98Å; F584-K593 HydrophobicContact CB-CG 4.49Å; K593-L599 HydrophobicContact CG-CD1 4.29Å; K593-L599 HydrophobicContact CG-CD2 4.48Å
594G72.5Confident81.1Confident19 Ų1980.1 Ų80.120%0.19643%0.429CS..PPolyproline II helixtrans-57.9158.8177.700000111.9Q592 K596Q592-G594 PolarHBondContact O-N 2.88Å; G594-K596 PolarHBondContact O-N 3.15Å
595R76.1Confident81.3Confident200 Ų20079.7 Ų79.776%0.75543%0.427SS*.PPolyproline II helixtrans-55.6139.3171.7-68-175-179.6-167.80.5109.3E597 L598 L599R595-E597 PolarHBondContact O-N 3.33Å; R595-L598 HydrophobicContact CB-CD1 4.36Å; R595-L598 PolarHBondContact O-N 2.94Å; R595-L599 PolarHBondContact O-N 2.79Å
596K77.6Confident81.7Confident101 Ų10177.8 Ų77.844%0.43942%0.415SS..G310 helixtrans-47.3-42.2-175.5-67.3-174.2179-177.60112.6R579 E580 G594 L598 L599R579-K596 WeakPolarHBondContact CD-O 3.13Å; E580-K596 IonicContact OE1-NZ 3.55Å; E580-K596 PolarHBondContact OE1-NZ 2.92Å; E580-K596 IonicContact OE2-NZ 3.11Å; E580-K596 PolarHBondContact OE2-NZ 3.42Å; G594-K596 PolarHBondContact O-N 3.15Å; K596-L598 VanDerWaalsContact C-N 3.25Å; K596-L598 PolarHBondContact O-N 3.46Å; K596-L599 PolarHBondContact O-N 2.83Å
597E71.8Confident82.4Confident183 Ų18375.1 Ų75.186%0.85540%0.398SS*.G310 helixtrans-65.2-19.9180-63.9171.9-177.800115.2R595R595-E597 PolarHBondContact O-N 3.33Å
598L78.2Confident83.4Confident129 Ų12973.1 Ų73.168%0.67538%0.384SS*.G310 helixtrans-102.1-7.3-176.9-61.8175.3000112.9R595 K596R595-L598 HydrophobicContact CB-CD1 4.36Å; R595-L598 PolarHBondContact O-N 2.94Å; K596-L598 VanDerWaalsContact C-N 3.25Å; K596-L598 PolarHBondContact O-N 3.46Å
599L83.1Confident84.6Confident20 Ų2065.4 Ų65.411%0.10535%0.351CS..  trans-72.3131.6178.7-62.7-179.7000109.7R579 F584 K593 R595 K596R579-L599 HydrophobicContact CB-CD1 4.17Å; R579-L599 HydrophobicContact CG-CB 4.23Å; R579-L599 HydrophobicContact CG-CD1 4.37Å; F584-L599 HydrophobicContact CB-CD1 4.31Å; F584-L599 HydrophobicContact CB-CD2 3.81Å; F584-L599 HydrophobicContact CD1-CB 3.87Å; F584-L599 HydrophobicContact CD1-CD1 4.26Å; F584-L599 HydrophobicContact CD1-CD2 4.12Å; F584-L599 HydrophobicContact CD1-CG 4.3Å; F584-L599 HydrophobicContact CD2-CD1 4Å; F584-L599 HydrophobicContact CE1-CB 3.97Å; F584-L599 HydrophobicContact CE2-CD1 4.41Å; F584-L599 HydrophobicContact CG-CB 4.38Å; F584-L599 HydrophobicContact CG-CD1 3.92Å; F584-L599 HydrophobicContact CG-CD2 4.04Å; F584-L599 HydrophobicContact CG-CG 4.33Å; K593-L599 HydrophobicContact CG-CD1 4.29Å; K593-L599 HydrophobicContact CG-CD2 4.48Å; R595-L599 PolarHBondContact O-N 2.79Å; K596-L599 PolarHBondContact O-N 2.83Å
600K84.9Confident86Confident186 Ų18660 Ų6081%0.80931%0.313SS*.  trans-113.3147.8177.7-65.6-175.7179.7-178.80110.2F584F584-K600 WeakPolarHBondContact CE1-O 3.4Å
601G89.8Confident87.4Confident43 Ų4357.5 Ų57.544%0.44329%0.294SS..SBendtrans78-165.5-18000000112.7F584F584-G601 WeakPolarHBondContact CE1-O 3.36Å
602N95.8Very high88.8Confident31 Ų3154.9 Ų54.917%0.16627%0.266CS..SBendtrans-11322.7-169.9-67-37.1000113.4P545 A547 I548 G549 R578 L582P545-N602 PolarHBondContact O-ND2 2.97Å; A547-N602 WeakPolarHBondContact O-CB 3.42Å; A547-N602 PolarHBondContact O-ND2 2.64Å; I548-N602 HydrophobicContact CB-CB 4.32Å; I548-N602 HydrophobicContact CG2-CB 4.15Å; G549-N602 PolarHBondContact N-O 2.77Å; R578-N602 PolarHBondContact NE-OD1 3.21Å; R578-N602 PolarHBondContact NH2-OD1 3.16Å; L582-N602 WeakPolarHBondContact CD1-O 3.5Å
603G96.7Very high89.7Confident5 Ų553.8 Ų53.85%0.05226%0.261CS..  trans100.8175.6-179.700000114A583A583-G603 CarbonylContact O-C 3.49Å; A583-G603 VanDerWaalsContact O-CA 3.32Å; A583-G603 WeakPolarHBondContact O-CA 3.31Å
604R97.8Very high90.5Very high14 Ų1457.4 Ų57.45%0.05328%0.279CS..  trans-82.9112179.1-63.2-173.673.8-137.3-0.8110.7D514 D520 G549 T550 L551 A583 P585 I606D514-R604 HydrophobicContact CB-CB 4Å; D514-R604 HydrophobicContact CB-CG 4.31Å; D514-R604 WeakPolarHBondContact OD2-CG 3.47Å; D514-R604 IonicContact OD2-CZ 3.5Å; D514-R604 IonicContact OD2-NE 3.34Å; D514-R604 PolarHBondContact OD2-NE 3.24Å; D514-R604 IonicContact OD2-NH2 2.89Å; D520-R604 IonicContact OD2-NH2 3.65Å; D520-R604 PolarHBondContact OD2-NH2 2.8Å; D520-R604 VanDerWaalsContact OD2-NH2 3.11Å; G549-R604 CarbonylContact C-O 3.53Å; G549-R604 WeakPolarHBondContact CA-O 3.5Å; T550-R604 PolarHBondContact N-O 3.44Å; L551-R604 PolarHBondContact N-O 3.05Å; A583-R604 PolarHBondContact O-N 2.98Å; P585-R604 HydrophobicContact CG-CG 4.18Å; R604-I606 HydrophobicContact CB-CG2 4.31Å
605R98.6Very high91.3Very high2 Ų258.9 Ų58.91%0.00829%0.294CS..  trans-95.7104174.2-176.1176.862.488.5-6.1109D514 D534 E543 T550 Y608D514-R605 WeakPolarHBondContact CA-O 3.37Å; D534-R605 IonicContact OD1-CZ 3.98Å; D534-R605 IonicContact OD1-NH1 2.97Å; D534-R605 PolarHBondContact OD1-NH1 3.37Å; D534-R605 IonicContact OD1-NH2 3.17Å; D534-R605 IonicContact OD2-CZ 3.79Å; D534-R605 VanDerWaalsContact OD2-CZ 3.23Å; D534-R605 IonicContact OD2-NH1 3.25Å; D534-R605 PolarHBondContact OD2-NH1 3.06Å; D534-R605 IonicContact OD2-NH2 2.76Å; D534-R605 PolarHBondContact OD2-NH2 3Å; E543-R605 IonicContact OE1-CZ 3.96Å; E543-R605 IonicContact OE1-NE 3.81Å; E543-R605 PolarHBondContact OE1-NE 3.13Å; E543-R605 IonicContact OE1-NH2 3.31Å; E543-R605 PolarHBondContact OE1-NH2 3.28Å; E543-R605 IonicContact OE2-CZ 3.83Å; E543-R605 IonicContact OE2-NE 3.2Å; E543-R605 PolarHBondContact OE2-NE 3.08Å; E543-R605 IonicContact OE2-NH2 3.42Å; E543-R605 PolarHBondContact OE2-NH2 3.27Å; T550-R605 HydrophobicContact CG2-CG 3.95Å; R605-Y608 VanDerWaalsContact NH1-CD1 3.33Å; R605-Y608 VanDerWaalsContact NH1-CE1 3.35Å; R605-Y608 PolarHBondContact O-OH 2.88Å
606I98.6Very high92.2Very high2 Ų250.7 Ų50.71%0.0127%0.265CS..  trans-115.1-11.2-174.965.5174.3000113F511 D514 T550 L551 R604 Y608F511-I606 PolarHBondContact N-O 2.95Å; D514-I606 HydrophobicContact CB-CG2 4.12Å; T550-I606 PolarHBondContact OG1-N 2.92Å; L551-I606 HydrophobicContact CB-CD1 3.96Å; L551-I606 HydrophobicContact CB-CG1 4.26Å; L551-I606 HydrophobicContact CD1-CD1 4.38Å; L551-I606 HydrophobicContact CD2-CD1 4.02Å; L551-I606 HydrophobicContact CG-CD1 4.35Å; R604-I606 HydrophobicContact CB-CG2 4.31Å; I606-Y608 VanDerWaalsContact O-CD2 3.29Å; I606-Y608 WeakPolarHBondContact O-CD2 2.99Å; I606-Y608 WeakPolarHBondContact O-CE2 3.37Å
607D98.8Very high92.9Very high1 Ų146.3 Ų46.31%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-96.2121.1172.8-56.4-91.1000109.2G509 T550 H639 V642G509-D607 WeakPolarHBondContact O-CA 3.45Å; T550-D607 WeakPolarHBondContact CB-OD2 3.48Å; T550-D607 HydrophobicContact CG2-CB 4.17Å; T550-D607 PolarHBondContact OG1-N 3.17Å; T550-D607 VanDerWaalsContact OG1-N 3.1Å; T550-D607 PolarHBondContact OG1-OD2 3.22Å; D607-H639 IonicContact OD1-ND1 2.62Å; D607-H639 PolarHBondContact OD1-ND1 3Å; D607-H639 IonicContact OD2-CE1 3.76Å; D607-H639 IonicContact OD2-CG 3.66Å; D607-H639 IonicContact OD2-ND1 2.73Å; D607-H639 PolarHBondContact OD2-ND1 3.13Å; D607-V642 HydrophobicContact CB-CG2 4.09Å
608Y98.9Very high93.7Very high0 Ų043.7 Ų43.70%025%0.246CC..EExtended strand (participates in β ladder)trans-112.2149.8-173.7-68.6-99000112.2C508 G509 F511 F513 F529 D534 R605 I606 L610C508-Y608 CarbonylContact C-O 3.49Å; C508-Y608 WeakPolarHBondContact CA-O 3.18Å; C508-Y608 WeakPolarHBondContact CB-O 3.33Å; G509-Y608 PolarHBondContact N-O 2.87Å; G509-Y608 PolarHBondContact O-N 3.31Å; F511-Y608 HydrophobicContact CB-CD2 3.57Å; F511-Y608 HydrophobicContact CB-CE2 3.72Å; F511-Y608 HydrophobicContact CD1-CD2 4.19Å; F511-Y608 AromaticContact CD2-CD2 3.7Å; F511-Y608 HydrophobicContact CD2-CD2 3.7Å; F511-Y608 HydrophobicContact CD2-CE2 4.18Å; F511-Y608 HydrophobicContact CD2-CG 4.06Å; F511-Y608 HydrophobicContact CE2-CD2 4.46Å; F511-Y608 HydrophobicContact CE2-CG 4.4Å; F511-Y608 AromaticContact CG-CD2 3.56Å; F511-Y608 HydrophobicContact CG-CD2 3.56Å; F511-Y608 HydrophobicContact CG-CE2 4.14Å; F511-Y608 HydrophobicContact CG-CG 4.25Å; F513-Y608 HydrophobicContact CE2-CE2 4.29Å; F513-Y608 AromaticContact CE2-CZ 3.91Å; F513-Y608 WeakPolarHBondContact CE2-OH 3.5Å; F513-Y608 HydrophobicContact CZ-CE2 4.43Å; F513-Y608 VanDerWaalsContact O-CE2 3.27Å; F513-Y608 WeakPolarHBondContact O-CE2 3.36Å; F513-Y608 PolarHBondContact O-OH 3.17Å; F529-Y608 AromaticContact CE1-CD1 3.97Å; F529-Y608 HydrophobicContact CE1-CD1 3.97Å; F529-Y608 AromaticContact CE1-CE1 3.97Å; F529-Y608 HydrophobicContact CE1-CE1 3.97Å; F529-Y608 HydrophobicContact CZ-CD1 4.24Å; F529-Y608 AromaticContact CZ-CE1 3.93Å; F529-Y608 HydrophobicContact CZ-CE1 3.93Å; D534-Y608 WeakPolarHBondContact OD2-CD1 3.3Å; D534-Y608 WeakPolarHBondContact OD2-CE1 3.45Å; R605-Y608 VanDerWaalsContact NH1-CD1 3.33Å; R605-Y608 VanDerWaalsContact NH1-CE1 3.35Å; R605-Y608 PolarHBondContact O-OH 2.88Å; I606-Y608 VanDerWaalsContact O-CD2 3.29Å; I606-Y608 WeakPolarHBondContact O-CD2 2.99Å; I606-Y608 WeakPolarHBondContact O-CE2 3.37Å; Y608-L610 HydrophobicContact CD1-CD2 4.17Å
609M98.8Very high94.3Very high1 Ų143.4 Ų43.41%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-139.3103.3172.7-177.364.566.900108.2F126 T128 V506 C508 P535 F627 V642 M644F126-M609 HydrophobicContact CB-CE 4.07Å; F126-M609 HydrophobicContact CB-SD 3.79Å; T128-M609 HydrophobicContact CG2-CE 3.87Å; V506-M609 HydrophobicContact CG1-SD 3.81Å; C508-M609 HydrophobicContact CB-CE 3.71Å; C508-M609 HydrophobicContact CB-SD 3.65Å; P535-M609 WeakPolarHBondContact CD-O 3.43Å; M609-F627 HydrophobicContact CB-CE2 4.12Å; M609-F627 HydrophobicContact CB-CZ 4.34Å; M609-V642 HydrophobicContact CB-CG1 3.92Å; M609-M644 HydrophobicContact CG-CB 3.42Å; M609-M644 VanDerWaalsContact CG-CB 3.42Å; M609-M644 HydrophobicContact CG-CE 3.8Å; M609-M644 HydrophobicContact CG-CG 4.38Å; M609-M644 HydrophobicContact CG-SD 4.15Å; M609-M644 HydrophobicContact SD-CB 4.41Å; M609-M644 HydrophobicContact SD-CE 4.2Å
610L98.8Very high94.7Very high0 Ų044 Ų440%025%0.246CC..EExtended strand (participates in β ladder)trans-115.3152.6-169.5-44.9177.2000111V506 V507 F511 L528 F529 R533 D534 Y608V506-L610 VanDerWaalsContact CA-O 3.31Å; V506-L610 WeakPolarHBondContact CA-O 3.5Å; V506-L610 WeakPolarHBondContact CG1-O 3.32Å; V507-L610 HydrophobicContact CB-CB 4.35Å; V507-L610 HydrophobicContact CB-CD1 4.4Å; V507-L610 HydrophobicContact CG1-CD1 4.5Å; V507-L610 PolarHBondContact N-O 3.26Å; V507-L610 WeakPolarHBondContact O-CA 3.46Å; V507-L610 WeakPolarHBondContact O-CB 3.13Å; V507-L610 PolarHBondContact O-N 2.91Å; F511-L610 HydrophobicContact CE2-CD1 4.22Å; F511-L610 HydrophobicContact CZ-CD1 4.28Å; L528-L610 HydrophobicContact CD2-CD1 4.25Å; F529-L610 HydrophobicContact CD1-CD1 4.41Å; F529-L610 HydrophobicContact CD1-CD2 4.35Å; F529-L610 HydrophobicContact CE1-CD1 4.16Å; F529-L610 HydrophobicContact CE1-CD2 4.06Å; R533-L610 VanDerWaalsContact O-CA 3.25Å; R533-L610 WeakPolarHBondContact O-CA 3.42Å; D534-L610 HydrophobicContact CB-CD2 3.55Å; Y608-L610 HydrophobicContact CD1-CD2 4.17Å
611H98.6Very high95.1Very high11 Ų1140.4 Ų40.45%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-133.7144172.869.793.5000112D505 Y532 R533 V624 M644 L646D505-H611 WeakPolarHBondContact O-CA 2.88Å; Y532-H611 CarbonylContact C-O 3.59Å; Y532-H611 WeakPolarHBondContact CA-O 3.45Å; R533-H611 PolarHBondContact N-O 3.24Å; R533-H611 PolarHBondContact O-N 3.33Å; R533-H611 VanDerWaalsContact O-N 3.08Å; H611-V624 WeakPolarHBondContact NE2-CG2 3.39Å; H611-M644 HydrophobicContact CB-CE 3.9Å; H611-M644 HydrophobicContact CB-SD 4.48Å; H611-L646 HydrophobicContact CB-CD1 3.99Å; H611-L646 HydrophobicContact CB-CD2 4.26Å
612A98.2Very high95.3Very high7 Ų739.1 Ų39.16%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-79.9147.6168.500000110.8D505 H531 Y532D505-A612 HydrophobicContact CB-CB 3.92Å; D505-A612 PolarHBondContact O-N 3.34Å; H531-A612 WeakPolarHBondContact O-CA 3.47Å; Y532-A612 HydrophobicContact CD1-CB 4.01Å; Y532-A612 HydrophobicContact CE1-CB 3.85Å
613E94.2Very high95.3Very high114 Ų11442.1 Ų42.153%0.53323%0.228SC..SBendtrans-101.4-22.9167.9-64.3174.8146.800111.1R533R533-E613 HydrophobicContact CG-CG 3.93Å; R533-E613 IonicContact CZ-OE2 3.12Å; R533-E613 IonicContact NE-OE2 3.83Å; R533-E613 PolarHBondContact NE-OE2 2.93Å; R533-E613 IonicContact NH2-OE2 2.88Å
614E92.9Very high95.3Very high136 Ų13642.8 Ų42.864%0.63623%0.231SC*.SBendtrans-96.5159-179.3-61.1-179.3171.700111.5L616E614-L616 PolarHBondContact O-N 3.35Å
615G89.8Confident95.2Very high50 Ų5045.1 Ų45.152%0.51524%0.243SC..SBendtrans72.213.2175.300000115R487R487-G615 PolarHBondContact NH1-O 3.01Å; R487-G615 PolarHBondContact NH2-O 2.75Å
616L94.3Very high95.1Very high29 Ų2946.8 Ų46.815%0.15225%0.251CS..SBendtrans-89.8173.2171.1-52.1-174000111.1V502 D505 E614 P618 A622V502-L616 HydrophobicContact CG1-CD2 4Å; D505-L616 HydrophobicContact CB-CD2 4.16Å; E614-L616 PolarHBondContact O-N 3.35Å; L616-P618 WeakPolarHBondContact O-CD 3.2Å; L616-A622 HydrophobicContact CD1-CB 3.56Å
617C91.6Very high95.1Very high9 Ų946.7 Ų46.76%0.06125%0.251CS..  trans-56.4122.8170.9-175.70000110.1L501 V502 D619 W620L501-C617 HydrophobicContact CB-CB 4.46Å; V502-C617 PolarHBondContact O-N 3.42Å; C617-D619 PolarHBondContact O-N 2.97Å; C617-D619 VanDerWaalsContact O-N 3.15Å; C617-W620 HydrophobicContact CB-CB 4.22Å; C617-W620 HydrophobicContact CB-CD2 3.75Å; C617-W620 HydrophobicContact CB-CE3 3.39Å; C617-W620 HydrophobicContact CB-CG 4.12Å; C617-W620 HydrophobicContact CB-CZ3 3.92Å; C617-W620 PolarHBondContact O-N 3.36Å
618P89.3Confident95.1Very high127 Ų12746.8 Ų46.883%0.82525%0.251SS*.THydrogen-bonded Turntrans-60.4-26.9-176.4-25.334.6000114.5L616 W620L616-P618 WeakPolarHBondContact O-CD 3.2Å; P618-W620 VanDerWaalsContact C-N 3.27Å; P618-W620 PolarHBondContact O-N 3.44Å
619D90.2Very high95.1Very high124 Ų12446.9 Ų46.966%0.66325%0.251SS*.THydrogen-bonded Turntrans-81.9-7.9-179-60.1-39.2000113C617 S650 G651C617-D619 PolarHBondContact O-N 2.97Å; C617-D619 VanDerWaalsContact O-N 3.15Å; D619-S650 WeakPolarHBondContact O-CA 3.38Å; D619-G651 PolarHBondContact O-N 3.09Å
620W91.9Very high95.1Very high32 Ų3246.8 Ų46.812%0.12125%0.251CS..EExtended strand (participates in β ladder)trans-113.9142.9-178.1-62.9-20.3000112.2W115 I453 L501 A503 C617 P618 V648 S649W115-W620 HydrophobicContact CH2-CD2 4.46Å; W115-W620 HydrophobicContact CH2-CE3 4.23Å; W115-W620 HydrophobicContact CH2-CH2 4.25Å; W115-W620 HydrophobicContact CH2-CZ2 4.44Å; W115-W620 HydrophobicContact CH2-CZ3 4.13Å; W115-W620 HydrophobicContact CZ3-CZ3 4.47Å; I453-W620 HydrophobicContact CB-CH2 4.26Å; I453-W620 HydrophobicContact CD1-CH2 3.82Å; I453-W620 HydrophobicContact CD1-CZ2 4.23Å; I453-W620 HydrophobicContact CG1-CH2 3.85Å; I453-W620 HydrophobicContact CG2-CH2 3.49Å; I453-W620 VanDerWaalsContact CG2-CH2 3.49Å; I453-W620 HydrophobicContact CG2-CZ3 3.56Å; L501-W620 HydrophobicContact CB-CH2 3.56Å; L501-W620 HydrophobicContact CB-CZ2 4.45Å; L501-W620 HydrophobicContact CB-CZ3 3.74Å; L501-W620 HydrophobicContact CD1-CH2 3.74Å; L501-W620 HydrophobicContact CD1-CZ2 3.86Å; L501-W620 HydrophobicContact CG-CH2 4.33Å; A503-W620 HydrophobicContact CB-CE3 4.28Å; A503-W620 HydrophobicContact CB-CZ3 4.04Å; C617-W620 HydrophobicContact CB-CB 4.22Å; C617-W620 HydrophobicContact CB-CD2 3.75Å; C617-W620 HydrophobicContact CB-CE3 3.39Å; C617-W620 HydrophobicContact CB-CG 4.12Å; C617-W620 HydrophobicContact CB-CZ3 3.92Å; C617-W620 PolarHBondContact O-N 3.36Å; P618-W620 VanDerWaalsContact C-N 3.27Å; P618-W620 PolarHBondContact O-N 3.44Å; W620-V648 HydrophobicContact CB-CG1 3.82Å; W620-V648 HydrophobicContact CD2-CG1 4.14Å; W620-V648 HydrophobicContact CE3-CG1 4.04Å; W620-V648 HydrophobicContact CG-CG1 4.08Å; W620-S649 CarbonylContact C-O 3.52Å; W620-S649 VanDerWaalsContact CA-O 3.29Å; W620-S649 WeakPolarHBondContact CA-O 3.25Å
621K92.8Very high95.1Very high111 Ų11146.9 Ų46.948%0.48325%0.251SS..EExtended strand (participates in β ladder)trans-107.6119.1170.7-158-174.7-178.8-155.80108.3E623 V648 S649K621-E623 HydrophobicContact CD-CG 3.97Å; K621-E623 WeakPolarHBondContact CD-OE2 3.44Å; K621-E623 WeakPolarHBondContact CE-OE1 3.47Å; K621-E623 VanDerWaalsContact CE-OE2 3.3Å; K621-E623 WeakPolarHBondContact CE-OE2 3.49Å; K621-E623 HydrophobicContact CG-CG 3.83Å; K621-E623 IonicContact NZ-OE1 3.76Å; K621-E623 PolarHBondContact NZ-OE1 3.36Å; K621-E623 IonicContact NZ-OE2 3Å; K621-E623 PolarHBondContact NZ-OE2 2.96Å; K621-V648 WeakPolarHBondContact O-CA 3.47Å; K621-S649 PolarHBondContact N-O 2.74Å; K621-S649 PolarHBondContact O-N 3Å
622A94.9Very high95.1Very high16 Ų1647 Ų4713%0.13225%0.252CS..EExtended strand (participates in β ladder)trans-102.4110.5173.900000109.1L616 T647 V648L616-A622 HydrophobicContact CD1-CB 3.56Å; A622-T647 WeakPolarHBondContact CA-O 3.42Å; A622-V648 HydrophobicContact CB-CG2 4.08Å
623E95Very high95.1Very high93 Ų9346.8 Ų46.844%0.43525%0.25SS..EExtended strand (participates in β ladder)trans-123.9148.5-177.1-58.5-169.3104.300111.3K621 E625 L646 T647K621-E623 HydrophobicContact CD-CG 3.97Å; K621-E623 WeakPolarHBondContact CD-OE2 3.44Å; K621-E623 WeakPolarHBondContact CE-OE1 3.47Å; K621-E623 VanDerWaalsContact CE-OE2 3.3Å; K621-E623 WeakPolarHBondContact CE-OE2 3.49Å; K621-E623 HydrophobicContact CG-CG 3.83Å; K621-E623 IonicContact NZ-OE1 3.76Å; K621-E623 PolarHBondContact NZ-OE1 3.36Å; K621-E623 IonicContact NZ-OE2 3Å; K621-E623 PolarHBondContact NZ-OE2 2.96Å; E623-E625 PolarHBondContact O-N 3.28Å; E623-L646 CarbonylContact O-C 3.55Å; E623-L646 WeakPolarHBondContact O-CA 3.34Å; E623-T647 PolarHBondContact N-O 3.38Å; E623-T647 PolarHBondContact O-N 2.82Å
624V97Very high95.2Very high19 Ų1941.6 Ų41.612%0.11523%0.226CC..EExtended strand (participates in β ladder)trans-64.3124.3171.3-175.30000108.9F345 P535 H611 M644 L646F345-V624 HydrophobicContact CB-CB 4.36Å; F345-V624 HydrophobicContact CB-CG1 4.08Å; F345-V624 VanDerWaalsContact CB-O 3.25Å; F345-V624 WeakPolarHBondContact CB-O 3.43Å; F345-V624 HydrophobicContact CD1-CB 3.86Å; F345-V624 HydrophobicContact CD1-CG1 3.91Å; F345-V624 HydrophobicContact CD2-CG1 3.76Å; F345-V624 HydrophobicContact CE1-CB 4.28Å; F345-V624 HydrophobicContact CE1-CG1 4.26Å; F345-V624 HydrophobicContact CE2-CG1 4.13Å; F345-V624 HydrophobicContact CG-CB 4.04Å; F345-V624 HydrophobicContact CG-CG1 3.65Å; F345-V624 HydrophobicContact CZ-CG1 4.36Å; P535-V624 HydrophobicContact CB-CG2 4.46Å; P535-V624 HydrophobicContact CG-CG2 3.99Å; H611-V624 WeakPolarHBondContact NE2-CG2 3.39Å; V624-M644 HydrophobicContact CG1-CG 4.24Å; V624-M644 HydrophobicContact CG2-CG 4.5Å; V624-M644 HydrophobicContact CG2-SD 4.06Å; V624-L646 HydrophobicContact CB-CD2 4.47Å; V624-L646 HydrophobicContact CG2-CD2 3.85Å
625E95.6Very high95.2Very high64 Ų6435.8 Ų35.830%0.29920%0.203SC..EExtended strand (participates in β ladder)trans-95.2-38.8172.7-175.8-176.1179.600110.7S123 D346 E623 R645 T647S123-E625 VanDerWaalsContact CB-OE2 3.29Å; S123-E625 WeakPolarHBondContact CB-OE2 3.45Å; S123-E625 PolarHBondContact OG-OE2 2.84Å; D346-E625 PolarHBondContact N-O 3.18Å; D346-E625 VanDerWaalsContact N-O 3.12Å; E623-E625 PolarHBondContact O-N 3.28Å; E625-R645 HydrophobicContact CB-CB 4.32Å; E625-R645 HydrophobicContact CB-CG 4.22Å; E625-R645 PolarHBondContact N-O 2.84Å; E625-R645 WeakPolarHBondContact OE2-CD 3.1Å; E625-R645 WeakPolarHBondContact OE2-CG 3.31Å; E625-T647 WeakPolarHBondContact CB-OG1 3.45Å; E625-T647 PolarHBondContact OE2-OG1 3.42Å
626E96.9Very high95.6Very high36 Ų3634.4 Ų34.417%0.16818%0.183CC..EExtended strand (participates in β ladder)trans-151.8139.8-171.6-170.6-171.8162.100110.1D346 M644 R645D346-E626 CarbonylContact O-C 3.53Å; D346-E626 VanDerWaalsContact O-CA 3.25Å; D346-E626 WeakPolarHBondContact O-CA 3.4Å; E626-M644 CarbonylContact O-C 3.54Å; E626-M644 WeakPolarHBondContact O-CA 3.34Å; E626-R645 HydrophobicContact CB-CB 3.82Å; E626-R645 PolarHBondContact O-N 2.78Å; E626-R645 IonicContact OE2-CZ 3.65Å; E626-R645 IonicContact OE2-NE 3.95Å; E626-R645 PolarHBondContact OE2-NE 3.37Å; E626-R645 IonicContact OE2-NH2 3.27Å
627F98.6Very high95.7Very high1 Ų133 Ų330%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-132.5131.5171.1-163-78.2000110.3F345 D346 H347 E348 P535 C536 W546 M609 F629 V642 A643 M644F345-F627 HydrophobicContact CD2-CB 4.21Å; F345-F627 HydrophobicContact CE2-CB 3.83Å; D346-F627 PolarHBondContact O-N 3.22Å; H347-F627 VanDerWaalsContact CA-O 3.23Å; H347-F627 WeakPolarHBondContact CA-O 3.45Å; E348-F627 PolarHBondContact N-O 3.48Å; E348-F627 VanDerWaalsContact N-O 3.1Å; P535-F627 HydrophobicContact CB-CD2 3.73Å; P535-F627 HydrophobicContact CB-CE2 3.99Å; P535-F627 HydrophobicContact CG-CD2 3.82Å; P535-F627 HydrophobicContact CG-CE2 3.85Å; C536-F627 WeakPolarHBondContact SG-CE1 3.28Å; C536-F627 WeakPolarHBondContact SG-CZ 3.33Å; W546-F627 HydrophobicContact CH2-CB 4.23Å; W546-F627 AromaticContact CH2-CD1 3.9Å; W546-F627 HydrophobicContact CH2-CD1 3.9Å; W546-F627 HydrophobicContact CH2-CE1 4.48Å; W546-F627 HydrophobicContact CH2-CG 4.06Å; W546-F627 AromaticContact CZ3-CD1 3.75Å; W546-F627 HydrophobicContact CZ3-CD1 3.75Å; W546-F627 HydrophobicContact CZ3-CE1 4.31Å; W546-F627 HydrophobicContact CZ3-CG 4.33Å; M609-F627 HydrophobicContact CB-CE2 4.12Å; M609-F627 HydrophobicContact CB-CZ 4.34Å; F627-F629 HydrophobicContact CD1-CE2 4.42Å; F627-F629 HydrophobicContact CE1-CE1 4.24Å; F627-F629 HydrophobicContact CE1-CE2 4.23Å; F627-F629 AromaticContact CE1-CZ 3.95Å; F627-F629 HydrophobicContact CE1-CZ 3.95Å; F627-V642 HydrophobicContact CE1-CG1 3.54Å; F627-V642 HydrophobicContact CE2-CG1 4.22Å; F627-V642 HydrophobicContact CZ-CG1 3.31Å; F627-A643 WeakPolarHBondContact CA-O 3.37Å; F627-M644 HydrophobicContact CD2-CB 4.13Å; F627-M644 HydrophobicContact CD2-CG 4.28Å; F627-M644 HydrophobicContact CE2-CB 4.42Å
628S98.4Very high95.9Very high2 Ų232.9 Ų32.91%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-139.7142.8-177.352.20000114.6E348 V642 A643E348-S628 VanDerWaalsContact O-CA 3.26Å; E348-S628 WeakPolarHBondContact O-CA 3.44Å; S628-V642 WeakPolarHBondContact O-CA 3.41Å; S628-A643 PolarHBondContact N-O 3.45Å; S628-A643 PolarHBondContact O-N 2.86Å
629F98.8Very high96.4Very high2 Ų227.3 Ų27.31%0.00914%0.138CC..EExtended strand (participates in β ladder)trans-98.7124.4166.1-59.6-84.4000108.7E348 V349 S350 W546 A547 I548 T550 F627 V642E348-F629 PolarHBondContact O-N 3.3Å; V349-F629 CarbonylContact C-O 3.41Å; V349-F629 WeakPolarHBondContact CA-O 3.37Å; S350-F629 PolarHBondContact N-O 2.94Å; W546-F629 HydrophobicContact CE3-CE2 4.03Å; W546-F629 AromaticContact CZ3-CE2 3.79Å; W546-F629 HydrophobicContact CZ3-CE2 3.79Å; W546-F629 HydrophobicContact CZ3-CZ 4.34Å; A547-F629 HydrophobicContact CB-CZ 4.48Å; I548-F629 HydrophobicContact CD1-CB 3.91Å; I548-F629 HydrophobicContact CD1-CD1 4.47Å; I548-F629 HydrophobicContact CD1-CD2 4.23Å; I548-F629 HydrophobicContact CD1-CG 3.97Å; I548-F629 HydrophobicContact CG1-CB 4.08Å; I548-F629 HydrophobicContact CG1-CD1 3.79Å; I548-F629 HydrophobicContact CG1-CD2 3.62Å; I548-F629 HydrophobicContact CG1-CE1 4.06Å; I548-F629 HydrophobicContact CG1-CE2 3.89Å; I548-F629 HydrophobicContact CG1-CG 3.55Å; I548-F629 HydrophobicContact CG1-CZ 4.11Å; I548-F629 WeakPolarHBondContact O-CE1 3.13Å; T550-F629 HydrophobicContact CG2-CD1 3.89Å; T550-F629 HydrophobicContact CG2-CE1 3.9Å; F627-F629 HydrophobicContact CD1-CE2 4.42Å; F627-F629 HydrophobicContact CE1-CE1 4.24Å; F627-F629 HydrophobicContact CE1-CE2 4.23Å; F627-F629 AromaticContact CE1-CZ 3.95Å; F627-F629 HydrophobicContact CE1-CZ 3.95Å; F629-V642 HydrophobicContact CD1-CG2 4.13Å; F629-V642 HydrophobicContact CE1-CG2 4.38Å
630I98.8Very high96.8Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-105.5132.4-165.3-61.2156.6000110.6S350 F353 Q632 P641 A643S350-I630 CarbonylContact O-C 3.59Å; S350-I630 VanDerWaalsContact O-CA 3.28Å; S350-I630 WeakPolarHBondContact O-CA 3.4Å; F353-I630 HydrophobicContact CD1-CD1 3.7Å; F353-I630 HydrophobicContact CD2-CG2 3.94Å; F353-I630 HydrophobicContact CE1-CD1 3.95Å; F353-I630 HydrophobicContact CE2-CG2 4.06Å; F353-I630 HydrophobicContact CG-CD1 4.12Å; F353-I630 HydrophobicContact CG-CG2 4.31Å; I630-Q632 HydrophobicContact CG2-CB 3.76Å; I630-P641 HydrophobicContact CB-CB 3.95Å; I630-P641 HydrophobicContact CB-CG 4.32Å; I630-P641 WeakPolarHBondContact CB-O 3.36Å; I630-P641 HydrophobicContact CD1-CB 3.97Å; I630-P641 HydrophobicContact CG2-CB 4.45Å; I630-P641 HydrophobicContact CG2-CG 4.45Å; I630-P641 PolarHBondContact N-O 2.7Å; I630-P641 VanDerWaalsContact O-CD 3.31Å; I630-P641 WeakPolarHBondContact O-CD 3.31Å; I630-A643 HydrophobicContact CD1-CB 3.7Å
631T98.6Very high97.1Very high1 Ų120.1 Ų20.11%0.00610%0.102CC..  trans-106.23.8177.363.90000113.1V349 S350 A351 P565 L568 Q569 L572 L633 S634 L640V349-T631 HydrophobicContact CG1-CG2 3.73Å; S350-T631 PolarHBondContact O-N 3.47Å; S350-T631 PolarHBondContact O-OG1 2.96Å; A351-T631 WeakPolarHBondContact CA-OG1 3.48Å; P565-T631 WeakPolarHBondContact CA-O 3.28Å; P565-T631 PolarHBondContact O-OG1 2.9Å; L568-T631 HydrophobicContact CB-CG2 4.22Å; L568-T631 HydrophobicContact CD2-CG2 3.98Å; L568-T631 HydrophobicContact CG-CG2 3.76Å; Q569-T631 HydrophobicContact CB-CG2 4.44Å; L572-T631 HydrophobicContact CD1-CG2 3.81Å; T631-L633 PolarHBondContact O-N 3.48Å; T631-S634 WeakPolarHBondContact O-CB 3.44Å; T631-S634 PolarHBondContact O-N 3.28Å; T631-L640 HydrophobicContact CG2-CD2 4.39Å
632Q98.3Very high97.4Very high13 Ų1314.9 Ų14.96%0.0618%0.079CC..THydrogen-bonded Turntrans-58-26.4-177.1-154.2177.54.100113.4R157 A351 F353 I630 S634R157-Q632 HydrophobicContact CB-CG 4.21Å; R157-Q632 WeakPolarHBondContact CD-O 3.19Å; R157-Q632 PolarHBondContact NH1-O 3.4Å; R157-Q632 PolarHBondContact O-NE2 3.47Å; R157-Q632 PolarHBondContact O-OE1 2.98Å; A351-Q632 WeakPolarHBondContact O-CA 3.26Å; A351-Q632 VanDerWaalsContact O-CB 3.24Å; A351-Q632 WeakPolarHBondContact O-CB 3.43Å; A351-Q632 VanDerWaalsContact O-CG 3.29Å; A351-Q632 WeakPolarHBondContact O-CG 3.46Å; F353-Q632 HydrophobicContact CD2-CB 4.14Å; F353-Q632 HydrophobicContact CE2-CB 4.46Å; I630-Q632 HydrophobicContact CG2-CB 3.76Å; Q632-S634 VanDerWaalsContact C-N 3.32Å
633L98.1Very high97.6Very high4 Ų414.2 Ų14.22%0.0217%0.074CC..THydrogen-bonded Turntrans-92.117.1178-54.3-170.7000113.9V131 I154 R157 I158 F353 T631 G635 L636 T637 P641V131-L633 HydrophobicContact CG1-CD1 4.36Å; I154-L633 HydrophobicContact CB-CD2 4.42Å; I154-L633 HydrophobicContact CG1-CD2 4.34Å; I154-L633 HydrophobicContact CG2-CD1 4.05Å; I154-L633 HydrophobicContact CG2-CD2 4.15Å; R157-L633 HydrophobicContact CB-CD2 4.09Å; I158-L633 HydrophobicContact CG1-CD2 4.34Å; F353-L633 HydrophobicContact CE2-CD1 4.1Å; F353-L633 HydrophobicContact CE2-CD2 3.93Å; F353-L633 HydrophobicContact CE2-CG 3.81Å; F353-L633 HydrophobicContact CZ-CD1 4.11Å; F353-L633 HydrophobicContact CZ-CG 4.3Å; T631-L633 PolarHBondContact O-N 3.48Å; L633-G635 PolarHBondContact O-N 3.04Å; L633-L636 WeakPolarHBondContact O-CA 3.27Å; L633-L636 VanDerWaalsContact O-CB 3.29Å; L633-L636 WeakPolarHBondContact O-CB 3.08Å; L633-L636 PolarHBondContact O-N 2.59Å; L633-T637 HydrophobicContact CB-CG2 3.89Å; L633-T637 HydrophobicContact CD1-CG2 4.23Å; L633-P641 HydrophobicContact CB-CG 4.49Å; L633-P641 HydrophobicContact CD1-CG 3.63Å; L633-P641 HydrophobicContact CG-CG 3.94Å
634S97Very high97.8Very high5 Ų59.8 Ų9.84%0.0355%0.053CC..THydrogen-bonded Turntrans-53.4135.9178.9-165.90000112.6R157 V562 L568 T631 Q632 L636R157-S634 PolarHBondContact NH1-O 2.87Å; V562-S634 WeakPolarHBondContact O-CB 3.39Å; V562-S634 PolarHBondContact O-OG 3.35Å; L568-S634 WeakPolarHBondContact CD2-OG 3.48Å; T631-S634 WeakPolarHBondContact O-CB 3.44Å; T631-S634 PolarHBondContact O-N 3.28Å; Q632-S634 VanDerWaalsContact C-N 3.32Å; S634-L636 PolarHBondContact O-N 2.92Å
635G93.9Very high97.8Very high14 Ų149.4 Ų9.414%0.1445%0.05CC..THydrogen-bonded Turntrans72.5-2.1-175.400000114.9L633L633-G635 PolarHBondContact O-N 3.04Å
636L96.8Very high97.9Very high20 Ų206.5 Ų6.511%0.1054%0.036CC..THydrogen-bonded Turntrans-111.7-10.8-176.6-54.8175.9000113.7R150 E153 I154 L633 S634R150-L636 HydrophobicContact CG-CD2 4.27Å; R150-L636 PolarHBondContact NE-O 3.4Å; R150-L636 PolarHBondContact NH2-O 2.85Å; E153-L636 HydrophobicContact CB-CD1 4.19Å; E153-L636 HydrophobicContact CB-CD2 4.39Å; E153-L636 HydrophobicContact CG-CD1 3.53Å; E153-L636 HydrophobicContact CG-CD2 4.03Å; E153-L636 HydrophobicContact CG-CG 4.44Å; I154-L636 HydrophobicContact CD1-CB 4.17Å; I154-L636 HydrophobicContact CG1-CB 3.8Å; I154-L636 HydrophobicContact CG1-CD1 3.93Å; I154-L636 HydrophobicContact CG1-CG 4.48Å; L633-L636 WeakPolarHBondContact O-CA 3.27Å; L633-L636 VanDerWaalsContact O-CB 3.29Å; L633-L636 WeakPolarHBondContact O-CB 3.08Å; L633-L636 PolarHBondContact O-N 2.59Å; S634-L636 PolarHBondContact O-N 2.92Å
637T97Very high97.8Very high0 Ų06.4 Ų6.40%04%0.038CC..  trans-160.3164173.7-171.90000107.4N130 L633 H639N130-T637 PolarHBondContact O-OG1 2.83Å; L633-T637 HydrophobicContact CB-CG2 3.89Å; L633-T637 HydrophobicContact CD1-CG2 4.23Å; T637-H639 WeakPolarHBondContact CG2-O 3.34Å
638D96.8Very high97.7Very high6 Ų66.4 Ų6.43%0.0324%0.038CC..SBendtrans-95.75.5176.458.6-24.1000113.1C132 N142 L552 T554C132-D638 PolarHBondContact SG-OD1 2.85Å; N142-D638 PolarHBondContact ND2-OD2 2.93Å; L552-D638 VanDerWaalsContact CB-O 3.27Å; L552-D638 WeakPolarHBondContact CB-O 3.37Å; L552-D638 PolarHBondContact N-O 3.26Å; T554-D638 HydrophobicContact CG2-CB 3.9Å
639H98.4Very high97.3Very high11 Ų117.5 Ų7.55%0.0515%0.046CC..BIsolated β-bridgetrans-114.7145.4172.4-73.3-120.4000112.7N130 D510 T550 D607 T637 P641N130-H639 HydrophobicContact CB-CB 3.94Å; D510-H639 IonicContact OD2-CE1 2.75Å; D510-H639 PolarHBondContact OD2-CE1 3.47Å; D510-H639 IonicContact OD2-ND1 3.28Å; D510-H639 IonicContact OD2-NE2 2.66Å; T550-H639 CarbonylContact O-C 3.45Å; T550-H639 VanDerWaalsContact O-CA 3.32Å; T550-H639 WeakPolarHBondContact O-CA 3.16Å; D607-H639 IonicContact OD1-ND1 2.62Å; D607-H639 PolarHBondContact OD1-ND1 3Å; D607-H639 IonicContact OD2-CE1 3.76Å; D607-H639 IonicContact OD2-CG 3.66Å; D607-H639 IonicContact OD2-ND1 2.73Å; D607-H639 PolarHBondContact OD2-ND1 3.13Å; T637-H639 WeakPolarHBondContact CG2-O 3.34Å; H639-P641 WeakPolarHBondContact O-CD 3.25Å
640L98.7Very high96.6Very high3 Ų38.8 Ų8.82%0.0166%0.055CC..  trans-82.2122.8167.3-59.4-178.1000109.4I548 G549 T550 L552 L568 L572 L582 T631I548-L640 HydrophobicContact CD1-CD1 4Å; G549-L640 WeakPolarHBondContact O-CD1 3.48Å; T550-L640 PolarHBondContact O-N 3.4Å; L552-L640 HydrophobicContact CD1-CD2 4.31Å; L552-L640 HydrophobicContact CD2-CD2 4.16Å; L552-L640 HydrophobicContact CG-CD2 4.35Å; L568-L640 HydrophobicContact CD2-CD2 4Å; L572-L640 HydrophobicContact CD1-CD1 3.53Å; L572-L640 HydrophobicContact CD1-CD2 4.03Å; L572-L640 HydrophobicContact CD1-CG 4.43Å; L582-L640 HydrophobicContact CD2-CD1 4.18Å; T631-L640 HydrophobicContact CG2-CD2 4.39Å
641P98.8Very high94.9Very high1 Ų111.8 Ų11.81%0.0069%0.086CC..  trans-58.1144.8166.6-20.929.3000111.5T128 A129 F353 I630 L633 H639T128-P641 CarbonylContact O-C 3.5Å; T128-P641 WeakPolarHBondContact O-CA 3.1Å; T128-P641 WeakPolarHBondContact O-CB 3.16Å; A129-P641 HydrophobicContact CB-CB 3.72Å; A129-P641 HydrophobicContact CB-CG 3.73Å; F353-P641 HydrophobicContact CE1-CB 3.77Å; F353-P641 HydrophobicContact CE1-CG 4.26Å; F353-P641 HydrophobicContact CE2-CB 4.35Å; F353-P641 HydrophobicContact CE2-CG 4.01Å; F353-P641 HydrophobicContact CZ-CB 3.48Å; F353-P641 VanDerWaalsContact CZ-CB 3.48Å; F353-P641 HydrophobicContact CZ-CG 3.45Å; F353-P641 VanDerWaalsContact CZ-CG 3.45Å; I630-P641 HydrophobicContact CB-CB 3.95Å; I630-P641 HydrophobicContact CB-CG 4.32Å; I630-P641 WeakPolarHBondContact CB-O 3.36Å; I630-P641 HydrophobicContact CD1-CB 3.97Å; I630-P641 HydrophobicContact CG2-CB 4.45Å; I630-P641 HydrophobicContact CG2-CG 4.45Å; I630-P641 PolarHBondContact N-O 2.7Å; I630-P641 VanDerWaalsContact O-CD 3.31Å; I630-P641 WeakPolarHBondContact O-CD 3.31Å; L633-P641 HydrophobicContact CB-CG 4.49Å; L633-P641 HydrophobicContact CD1-CG 3.63Å; L633-P641 HydrophobicContact CG-CG 3.94Å; H639-P641 WeakPolarHBondContact O-CD 3.25Å
642V98.9Very high92.9Very high1 Ų119.9 Ų19.91%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-118.1135177.4-179.90000108.6A127 T128 T550 D607 M609 F627 S628 F629A127-V642 CarbonylContact C-O 3.54Å; A127-V642 VanDerWaalsContact CA-O 3.28Å; A127-V642 WeakPolarHBondContact CA-O 3.4Å; T128-V642 HydrophobicContact CG2-CB 4.17Å; T128-V642 PolarHBondContact N-O 3.3Å; T128-V642 PolarHBondContact O-N 2.83Å; T550-V642 HydrophobicContact CG2-CG2 3.58Å; D607-V642 HydrophobicContact CB-CG2 4.09Å; M609-V642 HydrophobicContact CB-CG1 3.92Å; F627-V642 HydrophobicContact CE1-CG1 3.54Å; F627-V642 HydrophobicContact CE2-CG1 4.22Å; F627-V642 HydrophobicContact CZ-CG1 3.31Å; S628-V642 WeakPolarHBondContact O-CA 3.41Å; F629-V642 HydrophobicContact CD1-CG2 4.13Å; F629-V642 HydrophobicContact CE1-CG2 4.38Å
643A98.8Very high90.4Very high2 Ų227 Ų272%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-131.5150.3177.500000113.2F126 A127 P354 F627 S628 I630F126-A643 CarbonylContact O-C 3.42Å; F126-A643 WeakPolarHBondContact O-CA 3.47Å; F126-A643 VanDerWaalsContact O-CB 3.25Å; F126-A643 WeakPolarHBondContact O-CB 3.45Å; A127-A643 HydrophobicContact CB-CB 3.95Å; P354-A643 HydrophobicContact CG-CB 3.77Å; F627-A643 WeakPolarHBondContact CA-O 3.37Å; S628-A643 PolarHBondContact N-O 3.45Å; S628-A643 PolarHBondContact O-N 2.86Å; I630-A643 HydrophobicContact CD1-CB 3.7Å
644M98.6Very high87.5Confident1 Ų136.1 Ų36.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-137.8139.6178.9179.2175.967.600109.5F126 V506 P535 M609 H611 V624 E626 F627 L646F126-M644 PolarHBondContact N-O 3.34Å; F126-M644 PolarHBondContact O-N 3.49Å; V506-M644 HydrophobicContact CG1-CE 4.33Å; V506-M644 HydrophobicContact CG2-CE 4.2Å; P535-M644 HydrophobicContact CG-SD 3.86Å; M609-M644 HydrophobicContact CG-CB 3.42Å; M609-M644 VanDerWaalsContact CG-CB 3.42Å; M609-M644 HydrophobicContact CG-CE 3.8Å; M609-M644 HydrophobicContact CG-CG 4.38Å; M609-M644 HydrophobicContact CG-SD 4.15Å; M609-M644 HydrophobicContact SD-CB 4.41Å; M609-M644 HydrophobicContact SD-CE 4.2Å; H611-M644 HydrophobicContact CB-CE 3.9Å; H611-M644 HydrophobicContact CB-SD 4.48Å; V624-M644 HydrophobicContact CG1-CG 4.24Å; V624-M644 HydrophobicContact CG2-CG 4.5Å; V624-M644 HydrophobicContact CG2-SD 4.06Å; E626-M644 CarbonylContact O-C 3.54Å; E626-M644 WeakPolarHBondContact O-CA 3.34Å; F627-M644 HydrophobicContact CD2-CB 4.13Å; F627-M644 HydrophobicContact CD2-CG 4.28Å; F627-M644 HydrophobicContact CE2-CB 4.42Å; M644-L646 HydrophobicContact CE-CD1 4.06Å; M644-L646 HydrophobicContact CE-CD2 4.08Å; M644-L646 HydrophobicContact CE-CG 4Å; M644-L646 HydrophobicContact CG-CD2 4.26Å; M644-L646 HydrophobicContact CG-CG 4.47Å; M644-L646 HydrophobicContact SD-CD2 3.99Å; M644-L646 HydrophobicContact SD-CG 4.45Å
645R98.3Very high84.3Confident11 Ų1143.8 Ų43.84%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-111.7124.9170.2-170.1179.6-62.3-75.7-3.2108.9F124 A355 E625 E626F124-R645 CarbonylContact O-C 3.51Å; F124-R645 VanDerWaalsContact O-CA 3.3Å; F124-R645 WeakPolarHBondContact O-CA 3.32Å; A355-R645 PolarHBondContact O-NH2 3.29Å; E625-R645 HydrophobicContact CB-CB 4.32Å; E625-R645 HydrophobicContact CB-CG 4.22Å; E625-R645 PolarHBondContact N-O 2.84Å; E625-R645 WeakPolarHBondContact OE2-CD 3.1Å; E625-R645 WeakPolarHBondContact OE2-CG 3.31Å; E626-R645 HydrophobicContact CB-CB 3.82Å; E626-R645 PolarHBondContact O-N 2.78Å; E626-R645 IonicContact OE2-CZ 3.65Å; E626-R645 IonicContact OE2-NE 3.95Å; E626-R645 PolarHBondContact OE2-NE 3.37Å; E626-R645 IonicContact OE2-NH2 3.27Å
646L97.5Very high83.8Confident2 Ų245.3 Ų45.31%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-104.5126.5172.6-65.2178.7000109.4S123 F124 F126 F504 V506 H611 E623 V624 M644S123-L646 CarbonylContact C-O 3.44Å; S123-L646 VanDerWaalsContact CA-O 3.23Å; S123-L646 WeakPolarHBondContact CA-O 3.27Å; F124-L646 PolarHBondContact N-O 3.43Å; F124-L646 PolarHBondContact O-N 3.09Å; F126-L646 HydrophobicContact CE2-CB 4.2Å; F126-L646 HydrophobicContact CE2-CD1 3.91Å; F126-L646 HydrophobicContact CE2-CG 4.06Å; F126-L646 HydrophobicContact CZ-CD1 4.48Å; F504-L646 HydrophobicContact CB-CD1 4.04Å; V506-L646 HydrophobicContact CG2-CD1 3.84Å; H611-L646 HydrophobicContact CB-CD1 3.99Å; H611-L646 HydrophobicContact CB-CD2 4.26Å; E623-L646 CarbonylContact O-C 3.55Å; E623-L646 WeakPolarHBondContact O-CA 3.34Å; V624-L646 HydrophobicContact CB-CD2 4.47Å; V624-L646 HydrophobicContact CG2-CD2 3.85Å; M644-L646 HydrophobicContact CE-CD1 4.06Å; M644-L646 HydrophobicContact CE-CD2 4.08Å; M644-L646 HydrophobicContact CE-CG 4Å; M644-L646 HydrophobicContact CG-CD2 4.26Å; M644-L646 HydrophobicContact CG-CG 4.47Å; M644-L646 HydrophobicContact SD-CD2 3.99Å; M644-L646 HydrophobicContact SD-CG 4.45Å
647T95.3Very high83.1Confident35 Ų3546.6 Ų46.622%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-92126.9166.6-67.90000109.3S123 A622 E623 E625S123-T647 PolarHBondContact OG-OG1 3.28Å; A622-T647 WeakPolarHBondContact CA-O 3.42Å; E623-T647 PolarHBondContact N-O 3.38Å; E623-T647 PolarHBondContact O-N 2.82Å; E625-T647 WeakPolarHBondContact CB-OG1 3.45Å; E625-T647 PolarHBondContact OE2-OG1 3.42Å
648V95.1Very high82.4Confident0 Ų049.2 Ų49.20%029%0.293CS..EExtended strand (participates in β ladder)trans-110.5114.7174.8-171.60000108.7W115 G121 K122 F124 A503 W620 K621 A622W115-V648 HydrophobicContact CH2-CB 3.93Å; W115-V648 HydrophobicContact CH2-CG1 3.69Å; W115-V648 HydrophobicContact CZ2-CB 4.38Å; W115-V648 HydrophobicContact CZ2-CG1 4.27Å; G121-V648 CarbonylContact C-O 3.05Å; G121-V648 WeakPolarHBondContact CA-O 3.38Å; K122-V648 PolarHBondContact N-O 2.87Å; K122-V648 PolarHBondContact O-N 2.96Å; F124-V648 HydrophobicContact CD2-CG2 3.94Å; F124-V648 HydrophobicContact CE2-CB 4.46Å; F124-V648 HydrophobicContact CE2-CG2 4.05Å; A503-V648 HydrophobicContact CB-CG1 4.43Å; A503-V648 HydrophobicContact CB-CG2 4.45Å; A503-V648 WeakPolarHBondContact O-CG2 3.5Å; W620-V648 HydrophobicContact CB-CG1 3.82Å; W620-V648 HydrophobicContact CD2-CG1 4.14Å; W620-V648 HydrophobicContact CE3-CG1 4.04Å; W620-V648 HydrophobicContact CG-CG1 4.08Å; K621-V648 WeakPolarHBondContact O-CA 3.47Å; A622-V648 HydrophobicContact CB-CG2 4.08Å
649S91.1Very high81.5Confident26 Ų2651.8 Ų51.818%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-129149.4-179.556.10000111.8W620 K621W620-S649 CarbonylContact C-O 3.52Å; W620-S649 VanDerWaalsContact CA-O 3.29Å; W620-S649 WeakPolarHBondContact CA-O 3.25Å; K621-S649 PolarHBondContact N-O 2.74Å; K621-S649 PolarHBondContact O-N 3Å
650S84.5Confident80.5Confident29 Ų2954.3 Ų54.320%0.20333%0.325CS..EExtended strand (participates in β ladder)trans-75.5134.3167.651.80000109.7D619 E652D619-S650 WeakPolarHBondContact O-CA 3.38Å; S650-E652 PolarHBondContact O-N 3.31Å
651G62.7Low79.2Confident63 Ų6357.7 Ų57.765%0.64935%0.345SS*.G310 helixtrans-62.86.5-174.900000117.2D619 E653D619-G651 PolarHBondContact O-N 3.09Å; G651-E653 VanDerWaalsContact C-N 3.28Å; G651-E653 PolarHBondContact O-N 2.83Å
652E55.3Low77.8Confident171 Ų17161.8 Ų61.880%0.79937%0.369SS*.G310 helixtrans-76.8-1.1-177.9-66.3-173.1156.600114.7S650 E654S650-E652 PolarHBondContact O-N 3.31Å; E652-E654 VanDerWaalsContact C-N 3.32Å; E652-E654 PolarHBondContact O-N 3.2Å
653E47.8Very low76.2Confident163 Ų16366.5 Ų66.576%0.76240%0.397SS*.G310 helixtrans-80.90.3-177.8-111.2-178.2174.100115.1G651G651-E653 VanDerWaalsContact C-N 3.28Å; G651-E653 PolarHBondContact O-N 2.83Å
654E36.8Very low74.3Confident195 Ų19571.8 Ų71.891%0.91143%0.429SS*.G310 helixtrans-106.818.8179.2-74.2-159.8157.400115.9E652E652-E654 VanDerWaalsContact C-N 3.32Å; E652-E654 PolarHBondContact O-N 3.2Å
655A29.2Very low72.1Confident166 Ų16678.3 Ų78.3100%1.37247%0.468SS*.  trans-98.60177.300000114.8

Retrieved 655 of 655 residues in 114.3 ms (Link to these results)

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